Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.96 R 0.02 C Shift Assignments>> CB :: 30.902 CG :: 26.399 CD :: 49.527 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.I4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.32 S 0.3 P 0.19 I 0.16 C Shift Assignments>> C :: 175.900 CA :: 65.300 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 :: 119.520 Ave N Shift Values>> N :: 121.46(4.28) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.52 I 0.21 S 0.16 P 0.08 C Shift Assignments>> C :: 176.692 CA :: 66.804 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 :: 119.926 Ave N Shift Values>> N :: 121.14(4.54) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.14 M 0.11 D 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 W 0.05 E 0.05 N 0.05 Y 0.04 A 0.04 S 0.01 C Shift Assignments>> C :: 175.619 CA :: 55.394 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 116.535 Ave N Shift Values>> N :: 123.23(3.54) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.16 Y 0.15 W 0.12 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 I 0.04 L 0.03 V 0.02 D 0.01 C Shift Assignments>> C :: 176.154 CA :: 58.530 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 :: 119.255 Ave N Shift Values>> N :: 121.86(3.9) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.52 I 0.2 S 0.17 P 0.09 C Shift Assignments>> C :: 175.682 CA :: 66.768 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 :: 119.700 Ave N Shift Values>> N :: 121.14(4.54) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.5 I 0.2 S 0.18 P 0.09 C Shift Assignments>> C :: 175.573 CA :: 66.658 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 :: 120.637 Ave N Shift Values>> N :: 121.14(4.54) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.18 L 0.12 N 0.11 A 0.09 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 Y 0.02 C Shift Assignments>> C :: 176.031 CA :: 54.521 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 123.23(3.54) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.33 V 0.26 P 0.23 I 0.15 C Shift Assignments>> C :: 177.003 CA :: 64.645 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 :: 115.912 Ave N Shift Values>> N :: 121.46(4.28) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.32 S 0.3 P 0.19 I 0.16 C Shift Assignments>> C :: 176.090 CA :: 65.285 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 :: 122.123 Ave N Shift Values>> N :: 121.46(4.28) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.32 V 0.29 P 0.2 I 0.16 C Shift Assignments>> C :: 176.144 CA :: 65.051 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 :: 121.840 Ave N Shift Values>> N :: 121.46(4.28) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.18 N 0.14 A 0.11 L 0.11 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 W 0.04 E 0.03 Y 0.02 C Shift Assignments>> C :: 177.067 CA :: 54.311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 121.435 Ave N Shift Values>> N :: 123.23(3.54) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.33 V 0.26 P 0.23 I 0.15 C Shift Assignments>> C :: 177.118 CA :: 64.605 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 :: 121.083 Ave N Shift Values>> N :: 121.46(4.28) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.51 I 0.2 S 0.17 P 0.09 C Shift Assignments>> C :: 175.871 CA :: 66.736 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 :: 122.700 Ave N Shift Values>> N :: 121.14(4.54) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.48 I 0.2 S 0.19 P 0.1 C Shift Assignments>> C :: 175.668 CA :: 66.559 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 :: 120.200 Ave N Shift Values>> N :: 121.14(4.54) 1.W22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> H 0.12 Q 0.12 R 0.11 K 0.1 M 0.1 E 0.08 L 0.08 W 0.08 Y 0.06 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 177.266 CA :: 56.538 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) N Shift Assignments>> N :: 121.450 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.2 CA :: 58.188 CB :: 61.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 116.28(3.52) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.34 V 0.25 P 0.24 I 0.14 C Shift Assignments>> C :: 176.090 CA :: 64.400 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 :: 121.100 Ave N Shift Values>> N :: 121.46(4.28) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.54 I 0.21 S 0.15 P 0.07 C Shift Assignments>> C :: 176.590 CA :: 66.956 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 :: 121.100 Ave N Shift Values>> N :: 121.14(4.54) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.34 V 0.26 P 0.23 I 0.15 C Shift Assignments>> C :: 176.027 CA :: 64.538 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 :: 120.787 Ave N Shift Values>> N :: 121.46(4.28) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.48 I 0.2 S 0.19 P 0.1 C Shift Assignments>> C :: 175.745 CA :: 66.557 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 :: 122.037 Ave N Shift Values>> N :: 121.46(4.28) 1.E28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Y 0.51 I 0.24 E 0.11 D 0.03 N 0.02 L 0.02 M 0.02 C Shift Assignments>> CA :: 58.112 CB :: 38.239 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) 1.R30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.28 V 0.2 S 0.11 Y 0.1 W 0.08 P 0.03 E 0.03 R 0.03 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 174.683 CA :: 60.808 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 :: 120.836 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.21 V 0.15 S 0.14 Y 0.13 W 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 177.826 CA :: 60.340 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 :: 116.758 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.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.28 V 0.2 S 0.11 Y 0.1 W 0.08 P 0.03 E 0.03 R 0.03 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 174.027 CA :: 60.808 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 :: 120.935 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.31 S 0.25 V 0.24 I 0.16 Y 0.01 C Shift Assignments>> C :: 176.314 CA :: 63.387 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 :: 118.101 Ave N Shift Values>> N :: 121.46(4.28) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> H 0.12 Q 0.11 R 0.11 M 0.11 K 0.1 L 0.08 E 0.08 W 0.07 Y 0.06 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 176.811 CA :: 56.438 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 :: 119.195 Ave N Shift Values>> N :: 120.65(3.86) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.17 L 0.12 M 0.1 N 0.09 H 0.08 Q 0.07 A 0.07 R 0.07 K 0.06 W 0.04 E 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 177.050 CA :: 54.797 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 :: 121.631 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.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.15 S 0.13 W 0.13 E 0.1 K 0.08 R 0.08 H 0.07 Q 0.06 M 0.05 L 0.03 I 0.03 V 0.02 D 0.01 C Shift Assignments>> C :: 177.620 CA :: 58.250 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 :: 118.817 Ave N Shift Values>> N :: 121.86(3.9) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.31 S 0.25 V 0.24 I 0.16 Y 0.01 C Shift Assignments>> C :: 176.632 CA :: 63.420 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 :: 118.200 Ave N Shift Values>> N :: 121.46(4.28) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.12 R 0.11 E 0.1 Q 0.1 H 0.1 W 0.09 M 0.08 Y 0.07 L 0.06 S 0.04 D 0.03 I 0.01 C Shift Assignments>> C :: 176.545 CA :: 56.964 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 :: 119.593 Ave N Shift Values>> N :: 120.65(3.86) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.11 E 0.11 R 0.11 W 0.1 Q 0.1 H 0.1 Y 0.08 M 0.08 L 0.06 S 0.05 D 0.03 I 0.01 C Shift Assignments>> C :: 176.968 CA :: 57.078 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 :: 121.763 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.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> W 0.13 Y 0.12 E 0.11 K 0.1 R 0.09 S 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 C Shift Assignments>> C :: 175.880 CA :: 57.781 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 :: 120.347 Ave N Shift Values>> N :: 121.86(3.9) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.32 V 0.29 P 0.2 I 0.16 C Shift Assignments>> C :: 175.966 CA :: 65.047 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 :: 119.068 Ave N Shift Values>> N :: 121.46(4.28) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.18 S 0.16 Y 0.13 V 0.13 W 0.11 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 P 0.01 C Shift Assignments>> C :: 177.285 CA :: 60.116 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) N Shift Assignments>> N :: 122.353 Ave N Shift Values>> N :: 120.67(3.48) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.12 R 0.11 E 0.1 Q 0.1 H 0.1 W 0.09 M 0.08 Y 0.08 L 0.06 S 0.04 D 0.03 I 0.01 C Shift Assignments>> C :: 176.833 CA :: 56.980 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 :: 122.479 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.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.42 A 0.24 N 0.15 D 0.06 L 0.02 M 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 176.568 CA :: 51.013 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 122.914 Ave N Shift Values>> N :: 123.23(3.54) 1.E50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.39 N 0.29 L 0.18 Y 0.09 K 0.02 C Shift Assignments>> CA :: 53.717 CB :: 40.329 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.E55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.18 Y 0.15 W 0.12 E 0.08 K 0.07 R 0.07 I 0.06 H 0.05 Q 0.05 V 0.04 M 0.04 L 0.02 C Shift Assignments>> C :: 177.278 CA :: 58.989 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) N Shift Assignments>> N :: 117.568 Ave N Shift Values>> N :: 120.67(3.48) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.35 S 0.29 P 0.17 I 0.17 C Shift Assignments>> C :: 176.013 CA :: 65.552 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 :: 119.074 Ave N Shift Values>> N :: 121.46(4.28) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.14 W 0.13 S 0.11 E 0.11 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 C Shift Assignments>> C :: 175.872 CA :: 58.051 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 117.317 Ave N Shift Values>> N :: 116.28(3.52) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.21 A 0.17 D 0.16 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 E 0.02 Y 0.02 C Shift Assignments>> C :: 175.952 CA :: 53.832 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 120.229 Ave N Shift Values>> N :: 123.23(3.54) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.11 H 0.11 R 0.11 K 0.1 M 0.09 E 0.09 W 0.08 L 0.07 Y 0.06 D 0.04 S 0.03 N 0.01 C Shift Assignments>> C :: 176.977 CA :: 56.645 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 :: 115.860 Ave N Shift Values>> N :: 121.86(3.9) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.55 I 0.21 S 0.15 P 0.07 C Shift Assignments>> C :: 176.856 CA :: 66.957 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 :: 119.727 Ave N Shift Values>> N :: 121.14(4.54) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.15 S 0.13 W 0.13 E 0.1 K 0.08 R 0.08 H 0.07 Q 0.06 M 0.05 I 0.03 L 0.03 V 0.02 D 0.01 C Shift Assignments>> C :: 176.495 CA :: 58.284 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) N Shift Assignments>> N :: 118.472 Ave N Shift Values>> N :: 120.67(3.48) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.14 W 0.13 S 0.11 E 0.11 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 C Shift Assignments>> C :: 175.973 CA :: 58.050 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 :: 115.810 Ave N Shift Values>> N :: 121.86(3.9) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.93 L 0.06 C Shift Assignments>> C :: 173.834 CA :: 46.512 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 103.047 Ave N Shift Values>> N :: 109.67(3.87) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.47 S 0.2 I 0.2 P 0.11 C Shift Assignments>> C :: 175.661 CA :: 66.439 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 :: 115.548 Ave N Shift Values>> N :: 121.14(4.54) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.18 Y 0.15 W 0.12 I 0.1 E 0.07 V 0.07 K 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.010 CA :: 59.421 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) N Shift Assignments>> N :: 120.236 Ave N Shift Values>> N :: 120.67(3.48) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.17 S 0.16 Y 0.14 V 0.12 W 0.11 E 0.06 K 0.05 R 0.04 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.019 CA :: 60.036 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 :: 125.548 Ave N Shift Values>> N :: 121.86(3.9) 1.G71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.19 R 0.16 K 0.16 H 0.15 W 0.12 E 0.1 Q 0.07 V 0.01 C Shift Assignments>> CA :: 56.523 CB :: 31.759 CE3 :: 119.152 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) 1.D77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.36 W 0.08 I 0.07 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> CA :: 62.478 CB :: 31.056 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) 1.D79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.92 A 0.06 C Shift Assignments>> CA :: 55.522 CB :: 41.619 CG :: 26.022 CD1 :: 23.819 CD2 :: 22.684 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) 2.ANI1 Overall Status: Residue type ANI not supported. ########################################################################### Overall Results: #Consistent: 81 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 53 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 28 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 47 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0