Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.I1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.69 L 0.19 R 0.06 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.10 CA :: 44.79 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 108.80 Ave N Shift Values>> N :: 109.67(3.87) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.2 T 0.15 V 0.14 S 0.13 F 0.11 Y 0.11 K 0.03 R 0.03 Q 0.02 P 0.01 C Shift Assignments>> C :: 176.20 CA :: 60.37 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) N Shift Assignments>> N :: 110.50 Ave N Shift Values>> N :: 115.42(4.75) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.25 T 0.24 I 0.2 P 0.14 S 0.09 F 0.02 Y 0.02 C Shift Assignments>> CA :: 62.40 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) N Shift Assignments>> N :: 110.40 Ave N Shift Values>> N :: 115.42(4.75) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.19 D 0.16 Q 0.12 R 0.11 K 0.1 N 0.07 F 0.06 Y 0.05 A 0.05 S 0.02 C Shift Assignments>> C :: 173.40 CA :: 55.36 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 120.60 Ave N Shift Values>> N :: 121.86(3.9) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.22 P 0.21 T 0.2 I 0.16 S 0.15 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.00 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) N Shift Assignments>> N :: 115.80 Ave N Shift Values>> N :: 121.14(4.54) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.35 N 0.28 D 0.14 L 0.07 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 172.50 CA :: 52.91 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 124.10 Ave N Shift Values>> N :: 123.23(3.54) 1.L8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.21 Y 0.17 F 0.17 K 0.09 R 0.08 Q 0.06 I 0.06 V 0.04 T 0.03 L 0.03 D 0.01 C Shift Assignments>> C :: 176.90 CA :: 58.73 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 113.00 Ave N Shift Values>> N :: 116.28(3.52) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.16 Q 0.16 R 0.14 K 0.13 D 0.1 F 0.08 Y 0.08 S 0.03 N 0.03 A 0.02 C Shift Assignments>> C :: 175.90 CA :: 56.04 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 114.70 Ave N Shift Values>> N :: 116.28(3.52) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.18 Q 0.15 R 0.14 K 0.12 D 0.11 F 0.07 Y 0.07 N 0.04 A 0.03 S 0.03 C Shift Assignments>> C :: 174.00 CA :: 55.85 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) N Shift Assignments>> N :: 117.40 Ave N Shift Values>> N :: 120.45(4.18) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.27 V 0.22 P 0.19 T 0.17 I 0.12 C Shift Assignments>> C :: 175.80 CA :: 64.65 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) N Shift Assignments>> N :: 115.60 Ave N Shift Values>> N :: 115.42(4.75) 1.P13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.24 V 0.21 T 0.18 S 0.17 I 0.14 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.90 CA :: 63.19 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) N Shift Assignments>> N :: 113.30 Ave N Shift Values>> N :: 121.14(4.54) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.2 Q 0.14 R 0.13 D 0.13 K 0.11 F 0.07 Y 0.06 N 0.05 A 0.04 S 0.02 C Shift Assignments>> C :: 174.40 CA :: 55.68 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 118.90 Ave N Shift Values>> N :: 121.86(3.9) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.26 V 0.23 P 0.17 T 0.17 I 0.12 C Shift Assignments>> C :: 177.10 CA :: 64.90 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) N Shift Assignments>> N :: 114.20 Ave N Shift Values>> N :: 121.14(4.54) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.25 V 0.2 S 0.19 T 0.17 I 0.13 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.90 CA :: 63.30 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) N Shift Assignments>> N :: 118.40 Ave N Shift Values>> N :: 121.46(4.28) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> R 0.17 Q 0.16 K 0.16 F 0.1 L 0.1 Y 0.1 S 0.06 D 0.05 N 0.01 I 0.01 A 0.01 C Shift Assignments>> C :: 173.70 CA :: 56.75 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 118.80 Ave N Shift Values>> N :: 121.86(3.9) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.23 L 0.15 N 0.14 A 0.11 Q 0.08 R 0.08 K 0.07 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 173.50 CA :: 54.58 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 118.60 Ave N Shift Values>> N :: 121.86(3.9) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.80 CA :: 45.26 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 108.10 Ave N Shift Values>> N :: 109.67(3.87) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.26 V 0.24 T 0.18 P 0.17 I 0.13 C Shift Assignments>> C :: 175.40 CA :: 65.00 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) N Shift Assignments>> N :: 121.10 Ave N Shift Values>> N :: 121.14(4.54) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.26 S 0.24 T 0.18 P 0.15 I 0.13 C Shift Assignments>> C :: 174.60 CA :: 65.33 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) N Shift Assignments>> N :: 121.90 Ave N Shift Values>> N :: 121.14(4.54) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.80 CA :: 45.26 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 108.00 Ave N Shift Values>> N :: 109.67(3.87) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.17 Q 0.15 R 0.14 K 0.13 D 0.1 F 0.08 Y 0.07 N 0.03 S 0.03 A 0.02 C Shift Assignments>> C :: 176.00 CA :: 56.00 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 120.30 Ave N Shift Values>> N :: 121.86(3.9) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.18 Y 0.15 F 0.15 I 0.13 T 0.09 V 0.09 K 0.06 R 0.06 Q 0.04 L 0.01 C Shift Assignments>> C :: 177.30 CA :: 59.64 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 117.30 Ave N Shift Values>> N :: 116.28(3.52) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.34 N 0.28 D 0.15 L 0.08 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.00 CA :: 53.13 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 125.40 Ave N Shift Values>> N :: 123.23(3.54) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.19 D 0.17 Q 0.12 R 0.11 K 0.1 N 0.07 F 0.06 A 0.06 Y 0.05 S 0.02 C Shift Assignments>> C :: 178.10 CA :: 55.30 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 117.40 Ave N Shift Values>> N :: 121.86(3.9) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.18 Y 0.15 F 0.15 I 0.13 T 0.09 V 0.09 K 0.06 R 0.05 Q 0.04 L 0.01 C Shift Assignments>> C :: 173.10 CA :: 59.70 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) N Shift Assignments>> N :: 103.80 Ave N Shift Values>> N :: 115.42(4.75) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 172.60 CA :: 45.46 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 109.80 Ave N Shift Values>> N :: 109.67(3.87) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.17 R 0.17 K 0.15 L 0.11 F 0.1 Y 0.09 D 0.06 S 0.05 N 0.01 A 0.01 I 0.01 C Shift Assignments>> C :: 172.80 CA :: 56.60 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) N Shift Assignments>> N :: 118.70 Ave N Shift Values>> N :: 120.52(4.2) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.19 Q 0.14 R 0.13 D 0.12 K 0.12 F 0.07 Y 0.07 N 0.04 A 0.03 S 0.03 C Shift Assignments>> C :: 173.60 CA :: 55.75 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 120.90 Ave N Shift Values>> N :: 121.86(3.9) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.23 N 0.16 L 0.14 A 0.13 Q 0.08 R 0.07 K 0.06 F 0.03 Y 0.03 C Shift Assignments>> C :: 181.40 CA :: 54.40 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) N Shift Assignments>> N :: 116.40 Ave N Shift Values>> N :: 120.65(3.86) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.19 Q 0.14 R 0.13 K 0.12 D 0.12 F 0.07 Y 0.07 N 0.04 A 0.03 S 0.03 C Shift Assignments>> C :: 174.10 CA :: 55.80 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) N Shift Assignments>> N :: 116.90 Ave N Shift Values>> N :: 120.52(4.2) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.2 T 0.15 V 0.14 S 0.13 F 0.11 Y 0.11 K 0.03 R 0.03 Q 0.02 P 0.01 C Shift Assignments>> C :: 175.80 CA :: 60.39 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) N Shift Assignments>> N :: 114.70 Ave N Shift Values>> N :: 121.14(4.54) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.17 R 0.16 K 0.14 L 0.13 F 0.09 Y 0.09 D 0.07 S 0.04 N 0.02 A 0.01 C Shift Assignments>> C :: 175.80 CA :: 56.35 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 120.20 Ave N Shift Values>> N :: 121.86(3.9) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.16 R 0.15 Q 0.14 F 0.13 Y 0.12 L 0.08 S 0.08 D 0.04 I 0.01 V 0.01 C Shift Assignments>> C :: 176.70 CA :: 57.16 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 116.30 Ave N Shift Values>> N :: 121.86(3.9) 1.P37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.24 L 0.16 N 0.13 A 0.1 Q 0.09 R 0.08 K 0.07 F 0.04 Y 0.04 S 0.01 C Shift Assignments>> C :: 181.30 CA :: 54.67 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 116.40 Ave N Shift Values>> N :: 123.23(3.54) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.18 Q 0.15 R 0.14 K 0.12 D 0.11 F 0.07 Y 0.07 N 0.04 S 0.03 A 0.03 C Shift Assignments>> C :: 175.50 CA :: 55.87 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 117.30 Ave N Shift Values>> N :: 121.86(3.9) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.24 A 0.2 D 0.19 L 0.11 R 0.06 Q 0.05 K 0.04 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.30 CA :: 53.86 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 120.30 Ave N Shift Values>> N :: 123.23(3.54) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.27 V 0.22 P 0.19 T 0.17 I 0.12 C Shift Assignments>> C :: 175.00 CA :: 64.65 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) N Shift Assignments>> N :: 117.50 Ave N Shift Values>> N :: 121.46(4.28) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.17 Y 0.14 F 0.14 I 0.14 T 0.1 V 0.1 K 0.05 R 0.05 Q 0.03 L 0.01 C Shift Assignments>> C :: 178.70 CA :: 59.80 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) N Shift Assignments>> N :: 119.10 Ave N Shift Values>> N :: 120.45(4.18) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.25 S 0.22 V 0.19 T 0.17 I 0.13 C Shift Assignments>> C :: 173.30 CA :: 63.46 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) N Shift Assignments>> N :: 120.90 Ave N Shift Values>> N :: 121.46(4.28) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 172.70 CA :: 45.90 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 109.20 Ave N Shift Values>> N :: 109.67(3.87) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.16 R 0.15 L 0.15 K 0.14 F 0.09 D 0.08 Y 0.08 S 0.04 N 0.02 A 0.02 C Shift Assignments>> C :: 176.00 CA :: 56.22 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) N Shift Assignments>> N :: 120.10 Ave N Shift Values>> N :: 121.86(3.9) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.28 V 0.22 P 0.19 T 0.17 I 0.12 C Shift Assignments>> C :: 175.00 CA :: 64.61 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) N Shift Assignments>> N :: 116.70 Ave N Shift Values>> N :: 115.42(4.75) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.25 V 0.25 T 0.18 P 0.16 I 0.13 C Shift Assignments>> C :: 175.30 CA :: 65.20 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) N Shift Assignments>> N :: 120.50 Ave N Shift Values>> N :: 121.46(4.28) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.2 Y 0.16 F 0.16 I 0.1 K 0.07 R 0.07 V 0.06 T 0.06 Q 0.05 L 0.02 C Shift Assignments>> C :: 175.20 CA :: 59.30 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) N Shift Assignments>> N :: 120.10 Ave N Shift Values>> N :: 120.52(4.2) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.32 N 0.28 D 0.15 L 0.08 R 0.04 Q 0.03 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.50 CA :: 53.22 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 122.50 Ave N Shift Values>> N :: 123.23(3.54) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.29 P 0.21 V 0.19 T 0.16 I 0.12 C Shift Assignments>> C :: 173.50 CA :: 64.11 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) N Shift Assignments>> N :: 118.50 Ave N Shift Values>> N :: 121.46(4.28) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.17 R 0.16 K 0.15 L 0.12 F 0.09 Y 0.09 D 0.06 S 0.05 N 0.02 A 0.01 I 0.01 C Shift Assignments>> C :: 176.10 CA :: 56.50 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) N Shift Assignments>> N :: 119.70 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> R 0.17 K 0.17 Q 0.16 F 0.11 Y 0.1 L 0.1 S 0.06 D 0.05 N 0.01 I 0.01 A 0.01 C Shift Assignments>> C :: 176.20 CA :: 56.84 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) N Shift Assignments>> N :: 118.90 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.16 L 0.16 R 0.15 K 0.13 D 0.09 F 0.08 Y 0.08 S 0.04 N 0.03 A 0.02 C Shift Assignments>> C :: 176.10 CA :: 56.10 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) N Shift Assignments>> N :: 120.20 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> F 0.15 K 0.15 Y 0.15 R 0.14 Q 0.12 S 0.1 L 0.07 D 0.03 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 173.60 CA :: 57.50 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) N Shift Assignments>> N :: 118.50 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.2 D 0.13 Q 0.13 R 0.12 K 0.11 F 0.07 Y 0.06 N 0.05 A 0.04 S 0.02 C Shift Assignments>> C :: 177.50 CA :: 55.60 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) N Shift Assignments>> N :: 117.90 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A56 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Y 0.99 C Shift Assignments>> C :: 51.63(A) CA :: 123.90(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) SRO Rule Breaks>> (C > CA : 0.9996) 1.D57 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Suspicious PRTL>> Y 0.99 C Shift Assignments>> C :: 53.96(A) CA :: 118.90(A) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) N Shift Assignments>> N :: 105.00(S) Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.65 A 0.16 N 0.09 D 0.03 L 0.01 C Shift Assignments>> C :: 175.60 CA :: 50.60 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 125.50 Ave N Shift Values>> N :: 123.23(3.54) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.16 L 0.15 R 0.15 K 0.14 D 0.09 F 0.08 Y 0.08 S 0.04 N 0.03 A 0.02 C Shift Assignments>> C :: 175.90 CA :: 56.17 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 113.80 Ave N Shift Values>> N :: 116.28(3.52) 1.S60 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Suspicious PRTL>> P 0.76 A 0.12 N 0.06 D 0.02 L 0.01 C Shift Assignments>> C :: 176.30 CA :: 50.34(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 127.90(S) Ave N Shift Values>> N :: 116.28(3.52) 2.ANI1 Overall Status: Residue type ANI not supported. ########################################################################### Overall Results: #Consistent: 57 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 53 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 58 #Suspicious: 2 C Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 4 H Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 53 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.A56 Typing: Mistyped 1.A56 C = 51.63(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A56 CA = 123.90(A), Expected = 53.14, Std = 1.9800, ChiSquare = 0.0000e+00 1.A56 SRO Rule Break>> C > CA : 0.999579478553406 1.D57 Typing: Mistyped 1.D57 C = 53.96(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D57 CA = 118.90(A), Expected = 54.69, Std = 2.0300, ChiSquare = 0.0000e+00 1.D57 N = 105.00(S), Expected = 120.65, Std = 3.8600, ChiSquare = 5.0262e-05 1.D57 SRO Rule Break>> C > CA : 1 1.S60 Typing: Mistyped 1.S60 CA = 50.34(S), Expected = 58.72, Std = 2.0700, ChiSquare = 5.1589e-05 1.S60 N = 127.90(S), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6294e-04