Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.37 L 0.27 C 0.08 G 0.08 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 179.3400 CA :: 43.3900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.9000 HA3 :: 3.9000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.5300 CA :: 58.1200 CB :: 64.4900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.5600 HA :: 4.6500 HB2 :: 3.8100 HB3 :: 3.8500 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.2400 Ave N Shift Values>> N :: 116.3(3.95) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.29 R 0.23 K 0.02 C Shift Assignments>> C :: 175.3600 CA :: 55.6300 CB :: 32.9600 CG :: 27.2300 CD :: 44.5200 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.5200 HA :: 4.6400 HB2 :: 1.7900 HB3 :: 1.7900 HG2 :: 1.6000 HG3 :: 1.6800 HD2 :: 3.1500 HD3 :: 3.2200 HE :: 7.2689 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.1400 NE :: 86.1863 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 K 0.12 G 0.1 C Shift Assignments>> C :: 174.2800 CA :: 56.5200 CB :: 32.2600 CG :: 27.2300 CD :: 43.6600 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.2300 HA :: 4.0200 HB2 :: 1.0200 HB3 :: 1.3600 HG2 :: 1.6600 HG3 :: 1.7200 HD2 :: 3.1100 HD3 :: 3.4100 HE :: 7.3798 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.5200 NE :: 84.7929 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.6500 CA :: 59.9700 CB :: 39.7000 CG1 :: 27.6600 CG2 :: 17.4300 CD1 :: 13.3600 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.6100 HA :: 4.0200 HB :: 1.4900 HG12 :: 0.9600 HG13 :: 1.4300 HG21 :: 0.7400 HG22 :: 0.7400 HG23 :: 0.7400 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.4800 Ave N Shift Values>> N :: 121.6(4.72) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 F 0.31 Y 0.29 G 0.06 C Shift Assignments>> C :: 175.8200 CA :: 54.5200 CB :: 42.7300 CD1 :: 131.8808 CE1 :: 131.8573 CZ :: 130.8418 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.8800 HA :: 5.2400 HB2 :: 2.7100 HB3 :: 2.9700 HD1 :: 6.9532 HE1 :: 7.2158 HZ :: 7.3985 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.3500 Ave N Shift Values>> N :: 120.69(4.18) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> CA :: 59.2600 CB :: 68.8500 CG2 :: 21.9200 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.4800 HA :: 4.6600 HB :: 4.7600 HG21 :: 1.4000 HG22 :: 1.4000 HG23 :: 1.4000 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.6600 Ave N Shift Values>> N :: 115.7(5.05) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.6000 CA :: 65.7600 CB :: 31.5700 CG :: 27.9600 CD :: 50.2100 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.8900 HB2 :: 1.7800 HB3 :: 2.1800 HG2 :: 2.0000 HG3 :: 2.1100 HD2 :: 3.8400 HD3 :: 3.9100 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 H 0.3 C 0.27 C Shift Assignments>> C :: 177.2700 CA :: 59.7900 CB :: 28.8000 CD2 :: 119.8107 CE1 :: 137.3333 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.9400 HA :: 4.0400 HB2 :: 3.1300 HB3 :: 3.2200 HD2 :: 7.2662 HE1 :: 8.4219 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 112.4700 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.4 C 0.19 C Shift Assignments>> C :: 176.3300 CA :: 61.1200 CB :: 39.5100 CD1 :: 131.6810 CE1 :: 131.6298 CZ :: 129.2313 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.9100 HA :: 4.1900 HB2 :: 3.1400 HB3 :: 3.2800 HD1 :: 6.9530 HE1 :: 7.0922 HZ :: 7.2886 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.5700 Ave N Shift Values>> N :: 120.69(4.18) 1.K11 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.62 R 0.28 G 0.09 HN Overlap>> 1.V56 1.V56 C Shift Assignments>> C :: 178.4600 CA :: 59.7200 CB :: 32.8700 CG :: 29.8500(S) CD :: 24.5300 CE :: 43.1000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.5100 HA :: 3.0300 HB2 :: 0.5400(S) HB3 :: 1.3600 HG2 :: -0.3500(S) HG3 :: 0.7900 HD2 :: -1.6800(A) HD3 :: 0.8800 HE2 :: 2.4400 HE3 :: 2.6500 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.2100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.41 R 0.03 C Shift Assignments>> C :: 179.2500 CA :: 57.4000 CB :: 41.0800 CG :: 26.7600 CD1 :: 23.3300 CD2 :: 25.7100 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.8000 HA :: 3.8400 HB2 :: 1.3900 HB3 :: 1.6700 HG :: 1.6400 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 HD21 :: 0.7000 HD22 :: 0.7000 HD23 :: 0.7000 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.7300 Ave N Shift Values>> N :: 121.98(4.07) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.23 R 0.09 E 0.08 I 0.03 C Shift Assignments>> C :: 178.7700 CA :: 58.8900 CB :: 27.9700 CG :: 33.7500 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.6500 HA :: 3.8700 HB2 :: 2.0200 HB3 :: 2.0200 HG2 :: 2.2300 HG3 :: 2.3100 HE21 :: 6.8922 HE22 :: 7.2007 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.9600 NE2 :: 110.7349 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.2400 CA :: 66.5200 CB :: 30.3100 CG1 :: 21.3900 CG2 :: 21.5500 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.5600 HA :: 2.7800 HB :: 1.9800 HG11 :: -0.5000(S) HG12 :: -0.5000(S) HG13 :: -0.5000(S) HG21 :: 0.5100 HG22 :: 0.5100 HG23 :: 0.5100 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.3300 Ave N Shift Values>> N :: 121.02(4.96) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.33 A 0.02 R 0.01 C Shift Assignments>> C :: 179.0900 CA :: 57.8800 CB :: 40.7900 CG :: 26.0100 CD1 :: 21.6300 CD2 :: 25.1800 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.8200 HA :: 3.9800 HB2 :: 1.3600 HB3 :: 1.8700 HG :: 2.0200 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 HD21 :: 0.7700 HD22 :: 0.7700 HD23 :: 0.7700 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.8200 Ave N Shift Values>> N :: 121.98(4.07) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.2 K 0.1 Q 0.04 C Shift Assignments>> C :: 180.1100 CA :: 59.4000 CB :: 28.7100 CG :: 36.0100 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.3100 HA :: 4.0700 HB2 :: 2.1300 HB3 :: 2.1300 HG2 :: 2.3100 HG3 :: 2.3100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.0800 Ave N Shift Values>> N :: 120.68(3.68) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.4800 CA :: 63.1500 CB :: 63.1800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1600 HA :: 4.2400 HB2 :: 3.9300 HB3 :: 4.3900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.5800 Ave N Shift Values>> N :: 116.3(3.95) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 176.0000 CA :: 60.1200 CB :: 38.1600 CD1 :: 132.4294 CE1 :: 118.2870 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.1800 HA :: 4.3000 HB2 :: 3.1600 HB3 :: 3.3900 HD1 :: 6.9620 HE1 :: 6.6492 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.4000 Ave N Shift Values>> N :: 120.79(4.69) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 K 0.24 G 0.06 C Shift Assignments>> C :: 177.8600 CA :: 58.0100 CB :: 31.8600 CG :: 29.3300 CD :: 43.2400 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.5500 HA :: 4.1200 HB2 :: 1.7800 HB3 :: 1.7800 HG2 :: 1.6000 HG3 :: 1.8400 HD2 :: 3.0800 HD3 :: 3.2100 HE :: 7.3475 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.0700 NE :: 83.7966 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.2 D 0.14 K 0.11 C 0.1 F 0.05 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 175.6900 CA :: 54.6100 CB :: 42.8400 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.1300 HA :: 4.9500 HB2 :: 2.7300 HB3 :: 2.7300 HD21 :: 6.9312 HD22 :: 7.6958 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.5800 ND2 :: 115.2804 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.18 K 0.14 F 0.12 C 0.12 Y 0.1 N 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 177.2900 CA :: 55.4200 CB :: 41.0300 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.0200 HA :: 4.6400 HB2 :: 3.0200 HB3 :: 3.2700 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.7800 Ave N Shift Values>> N :: 120.73(4.2) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.23 F 0.19 D 0.08 N 0.08 E 0.06 I 0.05 L 0.03 C Shift Assignments>> C :: 175.9600 CA :: 56.5300 CB :: 38.5700 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.0200 HA :: 4.2400 HB2 :: 2.8000 HB3 :: 2.8000 HD21 :: 6.9580 HD22 :: 7.6355 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.5500 ND2 :: 112.6510 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.16 C 0.14 F 0.13 Y 0.12 L 0.11 K 0.03 I 0.01 C Shift Assignments>> C :: 177.0400 CA :: 54.8700 CB :: 40.0000 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.8000 HA :: 4.4800 HB2 :: 2.6700 HB3 :: 2.7000 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.8700 Ave N Shift Values>> N :: 120.73(4.2) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 W 0.15 H 0.13 R 0.13 Q 0.13 C 0.12 K 0.1 I 0.03 V 0.01 C Shift Assignments>> C :: 172.8000 CA :: 57.4600 CB :: 29.8800 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.5600 HA :: 4.7300 HB2 :: 2.4500 HB3 :: 3.2900 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 113.6100 Ave N Shift Values>> N :: 119.95(4.79) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.33 R 0.22 G 0.01 C Shift Assignments>> C :: 178.4400 CA :: 56.8600 CB :: 31.5200 CG :: 23.2900 CD :: 29.8800 CE :: 42.1700 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.9300 HA :: 4.0900 HB2 :: 1.5100 HB3 :: 1.6700 HG2 :: 1.0600 HG3 :: 1.1800 HD2 :: 1.3700 HD3 :: 1.4000 HE2 :: 2.8900 HE3 :: 2.8900 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.3400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 172.7800 CA :: 45.7800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.6600 HA2 :: 3.0400 HA3 :: 3.8100 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.9800 Ave N Shift Values>> N :: 109.91(4.29) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.23 C 0.15 L 0.04 Y 0.03 F 0.03 C Shift Assignments>> C :: 177.2800 CA :: 51.0500 CB :: 39.5100 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.9500 HA :: 5.3700 HB2 :: 2.4600 HB3 :: 3.0400 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.5400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 K 0.24 Q 0.2 R 0.1 E 0.06 P 0.03 I 0.02 C Shift Assignments>> C :: 178.3500 CA :: 59.7300 CB :: 28.3700 CG :: 33.2700 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 10.8700(S) HA :: 3.7700 HB2 :: 1.6200 HB3 :: 2.6200 HG2 :: 1.7100 HG3 :: 2.9200 HE21 :: 6.2176 HE22 :: 7.7603 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 129.4400 NE2 :: 107.1964 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 G 0.2 K 0.12 R 0.07 C Shift Assignments>> C :: 179.7100 CA :: 60.9800 CB :: 29.8100 CG :: 31.2500 CD :: 43.4200 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.5000 HA :: 3.7400 HB2 :: 1.9100 HB3 :: 2.0300 HG2 :: 1.6100 HG3 :: 1.9100 HD2 :: 3.0300 HD3 :: 3.3500 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.7200 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.05 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 181.0500 CA :: 54.3400 CB :: 18.8200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4000 HA :: 3.9700 HB1 :: 1.4600 HB2 :: 1.4600 HB3 :: 1.4600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.4100 Ave N Shift Values>> N :: 123.23(3.7) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.7000 CA :: 67.7900 CB :: 67.7300 CG2 :: 22.6700 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.4300 HA :: 4.0600 HB :: 4.2900 HG21 :: 1.3100 HG22 :: 1.3100 HG23 :: 1.3100 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.0100 Ave N Shift Values>> N :: 115.7(5.05) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 I 0.17 C 0.07 C Shift Assignments>> C :: 179.8600 CA :: 55.2300 CB :: 16.5000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4300 HA :: 3.8100 HB1 :: 1.3200 HB2 :: 1.3200 HB3 :: 1.3200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.7000 Ave N Shift Values>> N :: 123.23(3.7) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.3 G 0.22 K 0.05 C Shift Assignments>> C :: 179.8800 CA :: 59.8800 CB :: 31.2400 CG :: 28.8800 CD :: 44.0600 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.9000 HA :: 4.1600 HB2 :: 1.7600 HB3 :: 2.0300 HG2 :: 1.5200 HG3 :: 1.9900 HD2 :: 3.1200 HD3 :: 3.4200 HE :: 7.4102 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.7400 NE :: 81.7416 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.29 R 0.24 G 0.01 C Shift Assignments>> C :: 177.5800 CA :: 59.4900 CB :: 32.3300 CG :: 25.1900 CD :: 30.9700 CE :: 42.0400 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.7700 HA :: 3.9000 HB2 :: 1.7700 HB3 :: 2.1000 HG2 :: 0.5600 HG3 :: 1.1300 HD2 :: 1.5800 HD3 :: 1.5800 HE2 :: 2.7500 HE3 :: 2.8400 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.8600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.0300 CA :: 59.4800 CB :: 39.7200 CD1 :: 133.7910 CE1 :: 116.9318 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.3500 HA :: 4.4500 HB2 :: 2.4400 HB3 :: 3.4800 HD1 :: 7.4368 HE1 :: 6.6532 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.2400 Ave N Shift Values>> N :: 120.79(4.69) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.26 Y 0.13 E 0.11 F 0.07 D 0.06 I 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 174.4400 CA :: 54.4500 CB :: 37.4200 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.0800 HA :: 4.4800 HB2 :: 2.7700 HB3 :: 3.3500 HD21 :: 6.8629 HD22 :: 7.6114 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.1700 ND2 :: 111.3104 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 173.7900 CA :: 59.5400 CB :: 41.1200 CG1 :: 25.3300 CG2 :: 18.0300 CD1 :: 15.2700 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.0400 HA :: 4.7400 HB :: 2.2200 HG12 :: 0.9800 HG13 :: 1.0800 HG21 :: 1.0300 HG22 :: 1.0300 HG23 :: 1.0300 HD11 :: 0.5100 HD12 :: 0.5100 HD13 :: 0.5100 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 111.0900 Ave N Shift Values>> N :: 121.6(4.72) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 H 0.34 W 0.3 C Shift Assignments>> C :: 177.3500 CA :: 57.8500 CB :: 30.9700 CD2 :: 118.5733 CE1 :: 138.5244 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.7100 HA :: 4.3900 HB2 :: 3.2600 HB3 :: 3.2600 HD2 :: 7.4131 HE1 :: 8.1006 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.8300 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.17 G 0.02 L 0.02 C Shift Assignments>> CA :: 58.8500 CB :: 29.7900 CG :: 26.9500 CD :: 42.5300 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.0400 HA :: 3.5900 HB2 :: 1.3800 HB3 :: 1.5300 HG2 :: 0.9300 HG3 :: 1.2500 HD2 :: 2.6700 HD3 :: 3.2100 HE :: 7.0897 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.9400 NE :: 80.7943 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 G 0.13 K 0.09 C Shift Assignments>> C :: 178.0000 CA :: 56.4700 CB :: 31.2000 CG :: 25.8100 CD :: 43.8600 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 3.9400 HB2 :: 1.3600 HB3 :: 1.5900 HG2 :: 1.2900 HG3 :: 1.4300 HD2 :: 2.4600 HD3 :: 3.3700 HE :: 8.0586 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> NE :: 86.8481 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q41 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.45 C 0.4 E 0.1 L 0.03 C Shift Assignments>> C :: 176.2500 CA :: 58.9300 CB :: 27.8200 CG :: 38.5700(S) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.3000 HA :: 3.3200 HB2 :: -0.1200(S) HB3 :: 1.7800 HG2 :: 2.2900 HG3 :: 2.5900 HE21 :: 7.6496 HE22 :: 7.7819 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.2200 NE2 :: 115.7251 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.5100 CA :: 64.4200 CB :: 36.3200 CG1 :: 29.1100 CG2 :: 16.8800 CD1 :: 13.3400 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.1800 HA :: 3.0400 HB :: 1.5600 HG12 :: 0.8600 HG13 :: 1.2400 HG21 :: 0.3800 HG22 :: 0.3800 HG23 :: 0.3800 HD11 :: 0.4900 HD12 :: 0.4900 HD13 :: 0.4900 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.0100 Ave N Shift Values>> N :: 121.6(4.72) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.23 E 0.1 R 0.07 I 0.03 C Shift Assignments>> C :: 179.3300 CA :: 59.0800 CB :: 28.1100 CG :: 33.8800 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.8300 HA :: 3.6500 HB2 :: 1.7800 HB3 :: 2.1500 HG2 :: 2.1500 HG3 :: 2.1900 HE21 :: 5.6686 HE22 :: 7.7766 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.5600 NE2 :: 109.8371 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.27 C Shift Assignments>> C :: 180.1800 CA :: 57.6200 CB :: 31.5900 CG :: 24.4300 CD :: 27.9500 CE :: 41.7600 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.9800 HA :: 4.0100 HB2 :: 1.9000 HB3 :: 1.9700 HG2 :: 1.4000 HG3 :: 1.5500 HD2 :: 1.5400 HD3 :: 1.6300 HE2 :: 2.7600 HE3 :: 2.8500 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.1200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.41 C Shift Assignments>> C :: 178.6400 CA :: 57.5400 CB :: 27.9200 CD1 :: 125.3845 CE3 :: 119.5691 CZ2 :: 114.8036 CZ3 :: 121.0010 CH2 :: 122.7255 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.0500 HA :: 4.9300 HB2 :: 2.8900 HB3 :: 3.1000 HD1 :: 6.9367 HE1 :: 11.0890 HE3 :: 6.9634 HZ2 :: 7.4552 HZ3 :: 6.3774 HH2 :: 6.1221 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.2200 NE1 :: 128.6320 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.09 G 0.02 C Shift Assignments>> C :: 180.8700 CA :: 58.0300 CB :: 42.3300 CG :: 26.8600 CD1 :: 23.8400 CD2 :: 25.3100 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.0900 HA :: 4.0300 HB2 :: 1.4000 HB3 :: 1.9000 HG :: 1.6200 HD11 :: 0.8500 HD12 :: 0.8500 HD13 :: 0.8500 HD21 :: 0.4900 HD22 :: 0.4900 HD23 :: 0.4900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.0000 Ave N Shift Values>> N :: 121.98(4.07) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.24 E 0.12 R 0.06 I 0.02 C Shift Assignments>> C :: 177.6800 CA :: 58.0900 CB :: 28.4700 CG :: 33.9700 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.4000 HA :: 4.2400 HB2 :: 2.2800 HB3 :: 2.3300 HG2 :: 2.4900 HG3 :: 2.7100 HE21 :: 6.8289 HE22 :: 7.3627 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.4300 NE2 :: 110.9574 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 R 0.14 H 0.11 C 0.11 W 0.1 E 0.09 L 0.07 I 0.04 C Shift Assignments>> C :: 175.1300 CA :: 57.0600 CB :: 28.2000 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.8900 HA :: 5.1800 HB2 :: 3.0800 HB3 :: 3.2700 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.2300 Ave N Shift Values>> N :: 119.95(4.79) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.26 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.5200 CA :: 60.9300 CB :: 29.5800 CG :: 36.0200 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.2800 HA :: 3.7200 HB2 :: 2.0000 HB3 :: 2.3200 HG2 :: 2.0900 HG3 :: 2.2200 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.4100 Ave N Shift Values>> N :: 120.68(3.68) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.0700 CA :: 62.1200 CB :: 62.1400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.8100 HA :: 4.1200 HB2 :: 3.9000 HB3 :: 3.9000 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.6600 Ave N Shift Values>> N :: 116.3(3.95) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.2 F 0.15 N 0.15 D 0.09 E 0.07 I 0.03 L 0.02 C Shift Assignments>> C :: 178.1600 CA :: 55.7800 CB :: 38.3100 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.8000 HA :: 4.5300 HB2 :: 2.8900 HB3 :: 2.8900 HD21 :: 6.9673 HD22 :: 7.6807 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.7300 ND2 :: 111.9416 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.37 R 0.09 G 0.01 C Shift Assignments>> C :: 179.2100 CA :: 57.7100 CB :: 42.1300 CG :: 26.4900 CD1 :: 23.2300 CD2 :: 26.0000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.1200 HA :: 4.0300 HB2 :: 1.1200 HB3 :: 2.0600 HG :: 1.8300 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 HD21 :: 0.6600 HD22 :: 0.6600 HD23 :: 0.6600 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.9700 Ave N Shift Values>> N :: 121.98(4.07) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.38 K 0.15 G 0.05 C Shift Assignments>> C :: 178.6900 CA :: 59.1400 CB :: 29.8100 CG :: 29.0800 CD :: 42.9700 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.4600 HA :: 3.9500 HB2 :: 1.8500 HB3 :: 1.8500 HG2 :: 1.6200 HG3 :: 1.8200 HD2 :: 3.1300 HD3 :: 3.1800 HE :: 7.6330 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.1100 NE :: 84.4050 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8000 CA :: 60.4300 CB :: 63.1000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8900 HA :: 4.3400 HB2 :: 3.9700 HB3 :: 4.0100 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.0500 Ave N Shift Values>> N :: 116.3(3.95) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3700 CA :: 60.2100 CB :: 63.5300 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8500 HA :: 4.3900 HB2 :: 3.9500 HB3 :: 3.9900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.2600 Ave N Shift Values>> N :: 116.3(3.95) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 175.9600 CA :: 62.4500 CB :: 32.1200 CG1 :: 20.2700 CG2 :: 21.0400 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.4800 HA :: 4.1600 HB :: 2.1200 HG11 :: 0.8300 HG12 :: 0.8300 HG13 :: 0.8300 HG21 :: 0.7800 HG22 :: 0.7800 HG23 :: 0.7800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.2200 Ave N Shift Values>> N :: 121.02(4.96) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 C Shift Assignments>> C :: 177.4300 CA :: 52.9500 CB :: 19.1600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7900 HA :: 4.2900 HB1 :: 1.4100 HB2 :: 1.4100 HB3 :: 1.4100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.6300 Ave N Shift Values>> N :: 123.23(3.7) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.22 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 174.0500 CA :: 53.1500 CB :: 39.1600 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.1800 HA :: 4.7300 HB2 :: 2.7100 HB3 :: 2.8500 HD21 :: 6.8465 HD22 :: 7.5638 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.9900 ND2 :: 112.6073 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.15 C 0.13 N 0.12 F 0.11 Y 0.1 K 0.07 R 0.01 C Shift Assignments>> CA :: 54.7900 CB :: 40.4900 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.8800 HA :: 4.4600 HB2 :: 2.6600 HB3 :: 2.7500 HD21 :: 6.7744 HD22 :: 7.4654 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.7200 ND2 :: 112.1918 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.DT1 Overall Status: Residue type DT not supported. 2.DG2 Overall Status: Residue type DG not supported. 2.DA3 Overall Status: Residue type DA not supported. 2.DG4 Overall Status: Residue type DG not supported. 2.DG5 Overall Status: Residue type DG not supported. 2.DC6 Overall Status: Residue type DC not supported. 2.DG7 Overall Status: Residue type DG not supported. 2.DT8 Overall Status: Residue type DT not supported. 2.DC9 Overall Status: Residue type DC not supported. 2.DA10 Overall Status: Residue type DA not supported. 2.DA11 Overall Status: Residue type DA not supported. 2.DC12 Overall Status: Residue type DC not supported. 3.DG1 Overall Status: Residue type DG not supported. 3.DT2 Overall Status: Residue type DT not supported. 3.DT3 Overall Status: Residue type DT not supported. 3.DG4 Overall Status: Residue type DG not supported. 3.DA5 Overall Status: Residue type DA not supported. 3.DC6 Overall Status: Residue type DC not supported. 3.DG7 Overall Status: Residue type DG not supported. 3.DC8 Overall Status: Residue type DC not supported. 3.DC9 Overall Status: Residue type DC not supported. 3.DT10 Overall Status: Residue type DT not supported. 3.DC11 Overall Status: Residue type DC not supported. 3.DA12 Overall Status: Residue type DA not supported. ########################################################################### Overall Results: #Consistent: 55 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 57 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 59 #Suspicious: 0 C Shift Results: #Consistent: 253 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 412 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K11 Typing: Suspicious 1.K11 CG = 29.8500(S), Expected = 24.91, Std = 1.3100, ChiSquare = 1.6260e-04 1.K11 HB2 = 0.5400(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.7330e-07 1.K11 HG2 = -0.3500(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.4801e-10 1.K11 HD2 = -1.6800(A), Expected = 1.61, Std = 0.2500, ChiSquare = 1.4909e-39 1.V14 HG11 = -0.5000(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.9426e-07 1.V14 HG12 = -0.5000(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.9426e-07 1.V14 HG13 = -0.5000(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.9426e-07 1.Q28 H = 10.8700(S), Expected = 8.22, Std = 0.6200, ChiSquare = 1.9183e-05 1.Q41 Typing: Mistyped 1.Q41 CG = 38.5700(S), Expected = 33.72, Std = 1.1000, ChiSquare = 1.0381e-05 1.Q41 HB2 = -0.1200(S), Expected = 2.05, Std = 0.2800, ChiSquare = 9.1893e-15