Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.35 L 0.3 R 0.23 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.2 CA :: 44.17 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 108.1 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5 CA :: 57.28 CB :: 64.21 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 115.6 Ave N Shift Values>> N :: 116.28(3.52) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.2 CA :: 61.95 CB :: 29.87 CG1 :: 19.72 CG2 :: 19.72 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 :: 121.2 Ave N Shift Values>> N :: 121.14(4.54) 1.S7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent C Shift Assignments>> C :: 174.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 116.28(3.52) 1.T8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Consistent N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 115.42(4.75) 1.Y9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.6 R 0.33 L 0.04 G 0.01 C Shift Assignments>> C :: 176.3 CA :: 55.23 CB :: 30.02 CG :: 25.59 CD :: 42.06 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 :: 120.7 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.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.93 A 0.04 S 0.02 C Shift Assignments>> C :: 172.7 CA :: 59.01 CB :: 68.51 CG2 :: 19.97 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 :: 118.7 Ave N Shift Values>> N :: 115.42(4.75) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.3 CA :: 62.25 CB :: 30.92 CG :: 26.36 CD :: 50.12 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) N Shift Assignments>> N :: 139 Ave N Shift Values>> N :: 134.16(6.62) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 177.4 CA :: 51.38 CB :: 18.07 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 124.6 Ave N Shift Values>> N :: 123.23(3.54) 1.R15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent C Shift Assignments>> C :: 176.2 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 :: 120.6 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.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.16 Y 0.13 F 0.13 W 0.11 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.04 V 0.04 T 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 172.8 CA :: 59.09 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 :: 117.8 Ave N Shift Values>> N :: 115.42(4.75) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.89 R 0.07 K 0.02 C Shift Assignments>> C :: 177.3 CA :: 62.89 CB :: 30.88 CG :: 26.39 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) N Shift Assignments>> N :: 138.6 Ave N Shift Values>> N :: 134.16(6.62) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.38 L 0.29 R 0.21 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.3 CA :: 44.22 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 109.1 Ave N Shift Values>> N :: 109.67(3.87) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.33 E 0.26 F 0.23 M 0.05 N 0.05 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 176.6 CA :: 57.29 CB :: 37.47 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 :: 120.2 Ave N Shift Values>> N :: 120.52(4.2) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.31 G 0.29 R 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.6 CA :: 44.05 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 111 Ave N Shift Values>> N :: 109.67(3.87) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 177.4 CA :: 51.36 CB :: 18.12 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 123.23(3.54) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.39 Q 0.32 R 0.17 M 0.1 C Shift Assignments>> C :: 175.6 CA :: 54.68 CB :: 28.6 CG :: 32.74 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 :: 119.7 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.TPO23 Overall Status: Residue type TPO not supported. 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.9 CA :: 62.77 CB :: 30.9 CG :: 26.15 CD :: 49.4 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) N Shift Assignments>> N :: 139.9 Ave N Shift Values>> N :: 134.16(6.62) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2 CA :: 57.14 CB :: 60.65 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 116.1 Ave N Shift Values>> N :: 116.28(3.52) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.35 F 0.25 E 0.21 N 0.05 M 0.04 D 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 175.8 CA :: 57.36 CB :: 37.65 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 :: 122.1 Ave N Shift Values>> N :: 120.52(4.2) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.9 CA :: 60.52 CB :: 68.67 CG2 :: 20.27 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 :: 116.3 Ave N Shift Values>> N :: 115.42(4.75) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.84 M 0.15 C Shift Assignments>> C :: 177.5 CA :: 51.57 CB :: 17.87 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 126.7 Ave N Shift Values>> N :: 123.23(3.54) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.83 M 0.16 C Shift Assignments>> C :: 178.2 CA :: 51.79 CB :: 17.94 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 123.23(3.54) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.35 L 0.3 R 0.23 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 174 CA :: 44.17 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 108.2 Ave N Shift Values>> N :: 109.67(3.87) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3 CA :: 57.4 CB :: 62.9 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 115.6 Ave N Shift Values>> N :: 116.28(3.52) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.92 A 0.07 C Shift Assignments>> C :: 176.1 CA :: 55.02 CB :: 32.09 CG :: 23.27 CD :: 28.5 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 :: 123.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.TPO33 Overall Status: Residue type TPO not supported. 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.5 CA :: 62.23 CB :: 30.96 CG :: 26.37 CD :: 50.59 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) N Shift Assignments>> N :: 141.1 Ave N Shift Values>> N :: 134.16(6.62) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.65 A 0.33 C Shift Assignments>> C :: 177.4 CA :: 54.21 CB :: 41.2 CG :: 25.81 CD1 :: 21.99 CD2 :: 23.19 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 :: 123.1 Ave N Shift Values>> N :: 121.86(3.9) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.4 CA :: 61.4 CB :: 31.61 CG1 :: 19.55 CG2 :: 19.55 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 :: 121.5 Ave N Shift Values>> N :: 121.14(4.54) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.3 G 0.3 R 0.26 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.9 CA :: 44.08 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 112.8 Ave N Shift Values>> N :: 109.67(3.87) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> W 0.12 E 0.1 F 0.1 Y 0.1 K 0.09 R 0.08 H 0.07 Q 0.07 S 0.07 M 0.06 L 0.04 D 0.01 V 0.01 C Shift Assignments>> C :: 174.4 CA :: 57.66 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 115.6 Ave N Shift Values>> N :: 116.28(3.52) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.37 Q 0.36 R 0.16 M 0.08 E 0.01 C Shift Assignments>> C :: 175.5 CA :: 54.56 CB :: 28.48 CG :: 33.01 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 :: 122.1 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.TPO40 Overall Status: Residue type TPO not supported. 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.2 CA :: 62.39 CB :: 30.65 CG :: 26.16 CD :: 49.35 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) N Shift Assignments>> N :: 140.5 Ave N Shift Values>> N :: 134.16(6.62) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.76 D 0.09 Y 0.04 F 0.04 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 174.9 CA :: 51.93 CB :: 37.91 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.14 W 0.13 R 0.12 E 0.11 L 0.07 M 0.02 C Shift Assignments>> C :: 175.9 CA :: 55.87 CB :: 28.42 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 :: 121.4 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.37 D 0.32 L 0.12 F 0.09 Y 0.07 C Shift Assignments>> C :: 176.4 CA :: 53.37 CB :: 39.89 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 :: 121.2 Ave N Shift Values>> N :: 120.65(3.86) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.42 A 0.3 T 0.22 M 0.02 L 0.02 C Shift Assignments>> C :: 174.4 CG2 :: 20.43 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 :: 113.7 Ave N Shift Values>> N :: 115.42(4.75) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.34 N 0.31 L 0.14 F 0.09 Y 0.08 K 0.01 C Shift Assignments>> C :: 176.5 CA :: 53.61 CB :: 40.11 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 :: 122.6 Ave N Shift Values>> N :: 120.65(3.86) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.94 S 0.05 C Shift Assignments>> C :: 174.6 CA :: 60.97 CB :: 67.6 CG2 :: 20.39 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 :: 114.2 Ave N Shift Values>> N :: 115.42(4.75) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.61 R 0.27 L 0.09 G 0.01 C Shift Assignments>> C :: 176.1 CA :: 55.21 CB :: 29.63 CG :: 25.56 CD :: 42.06 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 :: 123.1 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.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.93 A 0.04 S 0.01 C Shift Assignments>> C :: 173 CA :: 58.66 CB :: 68.59 CG2 :: 20.36 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 :: 117.1 Ave N Shift Values>> N :: 115.42(4.75) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.96 G 0.03 C Shift Assignments>> C :: 176.6 CA :: 62.37 CB :: 30.59 CG :: 25.91 CD :: 48.86 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) N Shift Assignments>> N :: 137.9 Ave N Shift Values>> N :: 134.16(6.62) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.32 E 0.24 F 0.23 N 0.07 M 0.05 D 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 176.3 CA :: 56.96 CB :: 37.54 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 :: 119.8 Ave N Shift Values>> N :: 120.52(4.2) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.4 L 0.29 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 174 CA :: 44.26 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 110.5 Ave N Shift Values>> N :: 109.67(3.87) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.42 V 0.36 T 0.15 M 0.04 L 0.01 C Shift Assignments>> C :: 174.5 CG2 :: 20.12 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 :: 113.6 Ave N Shift Values>> N :: 115.42(4.75) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> H 0.2 R 0.18 M 0.14 W 0.13 Q 0.13 E 0.1 K 0.08 C Shift Assignments>> C :: 175.7 CA :: 54.2 CB :: 30.75 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.09(3.57) 1.TPO55 Overall Status: Residue type TPO not supported. 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.1 CA :: 62.95 CB :: 30.98 CG :: 26.16 CD :: 49.48 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) N Shift Assignments>> N :: 139 Ave N Shift Values>> N :: 134.16(6.62) 1.S57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent C Shift Assignments>> C :: 174.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 116.1 Ave N Shift Values>> N :: 116.28(3.52) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.2 K 0.17 H 0.16 W 0.12 R 0.1 E 0.1 L 0.07 M 0.03 C Shift Assignments>> C :: 174.6 CA :: 54.8 CB :: 28.6 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> D 0.34 N 0.33 L 0.13 F 0.09 Y 0.07 K 0.01 C Shift Assignments>> C :: 176.7 CA :: 53.39 CB :: 40.12 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 :: 121.5 Ave N Shift Values>> N :: 120.65(3.86) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> G 0.48 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.3 CA :: 44.41 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 109.9 Ave N Shift Values>> N :: 109.67(3.87) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5 CA :: 57.55 CB :: 63.99 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 115.8 Ave N Shift Values>> N :: 116.28(3.52) 1.M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> H 0.2 R 0.18 M 0.16 W 0.12 Q 0.11 E 0.09 K 0.09 C Shift Assignments>> C :: 175.8 CA :: 54.21 CB :: 30.97 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 120.09(3.57) 1.TPO63 Overall Status: Residue type TPO not supported. 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177 CA :: 62.91 CB :: 30.82 CG :: 26.14 CD :: 49.29 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) N Shift Assignments>> N :: 139.4 Ave N Shift Values>> N :: 134.16(6.62) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.63 R 0.2 L 0.14 C Shift Assignments>> C :: 176.5 CA :: 55.33 CB :: 29.36 CG :: 25.53 CD :: 41.92 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 :: 121.1 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.H66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.2 K 0.17 H 0.16 W 0.13 R 0.11 E 0.11 L 0.05 M 0.04 C Shift Assignments>> C :: 175.5 CA :: 54.92 CB :: 28.75 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.31 G 0.29 R 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.6 CA :: 44.05 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 110 Ave N Shift Values>> N :: 109.67(3.87) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.86 M 0.13 C Shift Assignments>> C :: 177.1 CA :: 51.36 CB :: 17.98 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 123.7 Ave N Shift Values>> N :: 123.23(3.54) 1.W69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.14 W 0.13 R 0.12 E 0.12 L 0.06 M 0.02 C Shift Assignments>> C :: 175 CA :: 56.02 CB :: 28.46 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 :: 120.7 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.48 D 0.34 L 0.09 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.5 CA :: 50.06 CB :: 40.5 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 :: 124.2 Ave N Shift Values>> N :: 120.65(3.86) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.5 CA :: 62.75 CB :: 30.98 CG :: 25.76 CD :: 49.74 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) N Shift Assignments>> N :: 136.5 Ave N Shift Values>> N :: 134.16(6.62) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.6 CA :: 61.29 CB :: 67.91 CG2 :: 20.53 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 :: 111.6 Ave N Shift Values>> N :: 115.42(4.75) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.86 M 0.13 C Shift Assignments>> C :: 177.2 CA :: 51.54 CB :: 18.11 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 123.23(3.54) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.74 D 0.09 Y 0.05 F 0.04 M 0.02 L 0.01 E 0.01 C Shift Assignments>> C :: 175 CA :: 52.19 CB :: 37.89 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.3 CA :: 60.93 CB :: 68.67 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 :: 113.7 Ave N Shift Values>> N :: 115.42(4.75) 1.TPO76 Overall Status: Residue type TPO not supported. 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.6 CA :: 62.54 CB :: 30.87 CG :: 26.32 CD :: 50.57 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) N Shift Assignments>> N :: 140.7 Ave N Shift Values>> N :: 134.16(6.62) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> A 0.84 M 0.15 C Shift Assignments>> C :: 177.8 CA :: 51.6 CB :: 17.85 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 123.23(3.54) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.59 R 0.31 L 0.08 G 0.01 C Shift Assignments>> C :: 176 CA :: 54.9 CB :: 29.75 CG :: 25.6 CD :: 42.15 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 :: 120.2 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.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.74 D 0.09 Y 0.05 F 0.04 M 0.02 L 0.01 E 0.01 C Shift Assignments>> C :: 174.9 CA :: 52.25 CB :: 37.88 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.73 D 0.09 Y 0.05 F 0.05 M 0.02 E 0.02 L 0.01 C Shift Assignments>> C :: 174.8 CA :: 52.39 CB :: 37.86 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.34 D 0.32 L 0.12 F 0.1 Y 0.08 C Shift Assignments>> C :: 175.8 CA :: 53.68 CB :: 39.86 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 :: 120.2 Ave N Shift Values>> N :: 120.65(3.86) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.33 F 0.29 N 0.13 D 0.1 L 0.05 E 0.05 M 0.02 C Shift Assignments>> C :: 175 CA :: 56.48 CB :: 38.53 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 :: 119.7 Ave N Shift Values>> N :: 120.45(4.18) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> N 0.41 D 0.32 L 0.11 F 0.07 Y 0.06 C Shift Assignments>> C :: 175.7 CA :: 52.85 CB :: 39.96 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 :: 121.8 Ave N Shift Values>> N :: 120.65(3.86) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.31 E 0.29 F 0.21 M 0.06 N 0.04 D 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 175.8 CA :: 57.36 CB :: 37.33 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 :: 121.3 Ave N Shift Values>> N :: 120.52(4.2) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2 CA :: 57.51 CB :: 62.98 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 116.28(3.52) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> L 0.93 A 0.06 C Shift Assignments>> C :: 177.1 CA :: 54.19 CB :: 41.35 CG :: 25.64 CD1 :: 23.4 CD2 :: 23.4 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 :: 123.7 Ave N Shift Values>> N :: 121.86(3.9) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> E 0.33 Q 0.31 K 0.26 M 0.06 R 0.01 C Shift Assignments>> C :: 175.4 CA :: 55.37 CB :: 29.32 CG :: 35.13 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 :: 121.8 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 82 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 73 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 82 #Suspicious: 0 C Shift Results: #Consistent: 257 #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: 77 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0