Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> S 0.23 P 0.23 V 0.18 T 0.16 I 0.12 C 0.03 C Shift Assignments>> C :: 174.804 CB :: 63.570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.299 HB2 :: 3.850 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 133.969(A) Ave N Shift Values>> N :: 116.28(3.52) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 V 0.03 C Shift Assignments>> C :: 174.266 CB :: 69.820 CG2 :: 22.164 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.315 HB :: 4.240 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 130.219 Ave N Shift Values>> N :: 115.42(4.75) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 I 0.32 A 0.12 C Shift Assignments>> C :: 177.557 CB :: 16.304 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.307 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.344 Ave N Shift Values>> N :: 123.23(3.54) 1.M5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.17 H 0.14 C 0.13 W 0.12 E 0.11 Q 0.06 P 0.06 M 0.05 V 0.04 K 0.04 I 0.01 C Shift Assignments>> C :: 175.910 CB :: 30.757 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) H Shift Assignments>> H :: 8.385 HB2 :: 2.060 HG2 :: 2.510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 133.719(S) Ave N Shift Values>> N :: 120.09(3.57) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 I 0.15 M 0.12 V 0.09 C 0.01 T 0.01 C Shift Assignments>> C :: 177.841 CB :: 19.039 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.135 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.844 Ave N Shift Values>> N :: 123.23(3.54) 1.T7 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.72 C 0.11 I 0.09 P 0.05 C Shift Assignments>> C :: 174.783 CB :: 67.867 CG2 :: 30.757(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.377 HB :: 4.247 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 133.594(S) Ave N Shift Values>> N :: 115.42(4.75) 1.T8 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.96 V 0.02 C Shift Assignments>> C :: 176.149 CB :: 67.086 CG2 :: 16.304(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.307 HB :: 4.240 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 131.469(S) Ave N Shift Values>> N :: 115.42(4.75) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 M 0.18 Q 0.18 K 0.15 V 0.15 P 0.03 R 0.02 H 0.02 W 0.01 C Shift Assignments>> C :: 176.317 CB :: 33.492 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) H Shift Assignments>> H :: 8.260 HB2 :: 1.951 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 130.969 Ave N Shift Values>> N :: 120.09(3.57) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.21 M 0.18 K 0.13 V 0.12 H 0.01 R 0.01 P 0.01 W 0.01 I 0.01 C Shift Assignments>> C :: 176.344 CB :: 34.273 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) H Shift Assignments>> H :: 8.385 HB2 :: 1.937 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.844 Ave N Shift Values>> N :: 120.67(3.48) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.16 H 0.15 R 0.11 C 0.11 Q 0.11 K 0.05 M 0.03 I 0.02 V 0.02 P 0.01 C Shift Assignments>> C :: 175.611 CB :: 30.000 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) H Shift Assignments>> H :: 6.836 HB2 :: 1.989 HE21 :: 8.704 HE22 :: 6.995 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.344 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E12 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.15 P 0.14 M 0.12 R 0.11 H 0.09 V 0.09 K 0.08 W 0.08 E 0.06 Q 0.03 C Shift Assignments>> C :: 175.333 CB :: 31.539 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) H Shift Assignments>> H :: 8.385 HB2 :: 2.015 HG2 :: 2.246 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 103.719(A) Ave N Shift Values>> N :: 120.67(3.48) 1.I13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.99 C Shift Assignments>> C :: 175.997 CB :: 36.226 CG1 :: 22.554 CG2 :: 17.270 CD1 :: 11.500 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) H Shift Assignments>> H :: 7.822 HB :: 1.784 HG12 :: 1.246 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 104.094(S) Ave N Shift Values>> N :: 121.46(4.28) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 Q 0.15 E 0.14 H 0.13 C 0.11 K 0.1 R 0.09 I 0.04 M 0.02 V 0.01 P 0.01 C Shift Assignments>> C :: 177.200 CB :: 29.586 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.307 HB2 :: 1.804 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.719 Ave N Shift Values>> N :: 120.17(4.64) 1.A15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.44 M 0.36 A 0.18 C Shift Assignments>> C :: 177.920 CB :: 17.476 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.994 HB1 :: 0.960 HB2 :: 0.960 HB3 :: 0.960 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 104.219(S) Ave N Shift Values>> N :: 123.23(3.54) 1.H16 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> K 0.18 Q 0.17 W 0.11 C 0.11 I 0.1 H 0.09 E 0.09 R 0.06 P 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 174.638 CB :: 28.804 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) H Shift Assignments>> H :: 8.315 HB2 :: 2.853 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 104.344(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> P 0.23 V 0.2 T 0.17 S 0.17 I 0.14 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 172.992 CB :: 63.179 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.385 HB2 :: 4.106 HB3 :: 4.106 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 102.344(S) Ave N Shift Values>> N :: 116.28(3.52) 1.M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.25 M 0.09 I 0.07 Y 0.04 N 0.04 K 0.03 V 0.03 Q 0.02 F 0.02 C Shift Assignments>> C :: 174.174 CB :: 35.836 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) H Shift Assignments>> H :: 8.299 HB2 :: 2.018 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.094 Ave N Shift Values>> N :: 120.09(3.57) 1.T19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 V 0.06 C Shift Assignments>> C :: 174.626 CB :: 77.242(S) CG2 :: 22.440 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.759 HB :: 4.518 HG21 :: 1.303 HG22 :: 1.303 HG23 :: 1.303 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.719 Ave N Shift Values>> N :: 115.42(4.75) 1.F20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.39 C 0.22 I 0.09 Y 0.06 M 0.06 N 0.06 F 0.03 K 0.02 V 0.02 Q 0.01 C Shift Assignments>> C :: 177.239 CB :: 36.226 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) H Shift Assignments>> H :: 8.205 HB2 :: 2.934 HB3 :: 2.934 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 104.094(S) Ave N Shift Values>> N :: 120.45(4.18) 1.E21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> W 0.16 E 0.16 H 0.15 R 0.11 C 0.11 Q 0.11 K 0.05 M 0.03 I 0.03 V 0.02 P 0.01 C Shift Assignments>> C :: 177.414 CB :: 29.976 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) H Shift Assignments>> H :: 8.135 HG2 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 104.719(S) Ave N Shift Values>> N :: 120.67(3.48) 1.E22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.18 V 0.15 M 0.14 K 0.14 P 0.12 R 0.06 H 0.05 W 0.04 Q 0.03 E 0.03 C Shift Assignments>> C :: 175.998 CB :: 32.320 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) H Shift Assignments>> H :: 8.213 HG2 :: 2.180 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 105.594(S) Ave N Shift Values>> N :: 120.67(3.48) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 P 0.16 C 0.16 V 0.11 K 0.1 R 0.08 H 0.07 W 0.05 E 0.04 Q 0.02 HN Overlap>> 1.PTR45 1.PTR45 C Shift Assignments>> CB :: 31.929 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.417 HB2 :: 2.900 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 105.719 Ave N Shift Values>> N :: 120.17(4.64) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 L 0.15 R 0.1 H 0.1 W 0.07 Q 0.07 P 0.05 K 0.04 M 0.01 E 0.01 C Shift Assignments>> C :: 177.793 CB :: 28.023 CD :: 49.898 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) H Shift Assignments>> HB2 :: 1.899 HG2 :: 1.940 HD2 :: 3.950 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 130.719 Ave N Shift Values>> N :: 134.16(6.62) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 K 0.28 C Shift Assignments>> C :: 178.891 CB :: 38.570 CE :: 42.000 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) H Shift Assignments>> H :: 7.509 HB2 :: 1.411 HG2 :: 1.080 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.469 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 Q 0.15 E 0.14 H 0.13 C 0.11 K 0.1 R 0.09 I 0.04 M 0.02 V 0.01 P 0.01 C Shift Assignments>> C :: 177.188 CB :: 29.586 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.276 HB2 :: 2.527 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 106.219 Ave N Shift Values>> N :: 120.17(4.64) 1.S27 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 V 0.01 C Shift Assignments>> C :: 175.727 CB :: 69.820(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.385 HB2 :: 3.896 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 127.094 Ave N Shift Values>> N :: 116.28(3.52) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> C :: 178.400 CB :: 13.179 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.393 HB1 :: 1.431 HB2 :: 1.431 HB3 :: 1.431 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.594 Ave N Shift Values>> N :: 123.23(3.54) 1.L29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.52 L 0.27 C 0.1 A 0.08 C Shift Assignments>> C :: 177.715 CB :: 48.336 CD1 :: 25.170 CD2 :: 23.090 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) H Shift Assignments>> H :: 8.385 HB2 :: 1.537 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 104.969(S) Ave N Shift Values>> N :: 121.86(3.9) 1.Q30 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.36 V 0.35 T 0.16 I 0.03 M 0.03 C 0.02 L 0.01 C Shift Assignments>> C :: 175.829 CB :: 20.211(A) 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) H Shift Assignments>> H :: 8.495 HE21 :: 7.350 HE22 :: 6.780 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 105.594(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.22 N 0.18 C 0.17 Y 0.15 E 0.11 F 0.09 M 0.02 D 0.01 C Shift Assignments>> C :: 176.074 CB :: 37.398 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) H Shift Assignments>> H :: 8.338 HB2 :: 2.873 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 105.969(S) Ave N Shift Values>> N :: 120.52(4.2) 1.R32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Suspicious PRTL>> K 0.98 C Shift Assignments>> C :: 175.924 CB :: 36.617 CD :: 39.742(S) 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) H Shift Assignments>> H :: 7.971 HB2 :: 1.673 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 106.094(S) 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.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.18 F 0.16 K 0.14 Y 0.11 I 0.05 C 0.04 N 0.03 R 0.01 C Shift Assignments>> C :: 175.488 CB :: 41.304 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.393 HB2 :: 2.731 HD21 :: 7.570 HD22 :: 6.900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 106.219 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.894 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.057 HA2 :: 3.740 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.469 Ave N Shift Values>> N :: 109.67(3.87) 1.F35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.26 N 0.24 Y 0.18 F 0.12 C 0.1 D 0.03 E 0.02 C Shift Assignments>> C :: 175.393 CB :: 38.179 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) H Shift Assignments>> H :: 8.104 HB2 :: 2.841 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 106.344(S) Ave N Shift Values>> N :: 120.45(4.18) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 I 0.15 N 0.14 D 0.12 C 0.06 L 0.04 C Shift Assignments>> C :: 175.157 CB :: 39.742 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) H Shift Assignments>> H :: 8.299 HB2 :: 2.839 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 106.719 Ave N Shift Values>> N :: 120.52(4.2) 1.L37 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.97 G 0.02 C Shift Assignments>> C :: 176.500 CB :: 41.304 CD1 :: 16.304(S) CD2 :: 19.429 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) H Shift Assignments>> H :: 8.315 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 108.219(S) Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 G 0.1 C Shift Assignments>> C :: 176.636 CB :: 43.257 CD1 :: 24.840 CD2 :: 23.650 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) H Shift Assignments>> H :: 8.393 HB2 :: 1.433 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.969 Ave N Shift Values>> N :: 121.86(3.9) 1.K39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 R 0.03 C Shift Assignments>> C :: 175.954 CB :: 36.617 CD :: 24.390(S) CE :: 42.000 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) H Shift Assignments>> H :: 8.385 HB2 :: 1.558 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.094 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CB :: 44.429 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) H Shift Assignments>> H :: 8.307 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.844 Ave N Shift Values>> N :: 120.52(4.2) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.22 I 0.14 N 0.09 Y 0.09 F 0.04 M 0.04 K 0.01 V 0.01 C Shift Assignments>> C :: 175.909 CB :: 36.617 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.377 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.594 Ave N Shift Values>> N :: 120.65(3.86) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.18 C 0.17 K 0.17 M 0.16 P 0.08 Q 0.06 R 0.04 H 0.04 W 0.03 E 0.02 C Shift Assignments>> C :: 176.561 CB :: 32.711 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) H Shift Assignments>> H :: 7.728 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 109.344 Ave N Shift Values>> N :: 120.67(3.48) 1.E43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> H 0.16 W 0.15 R 0.14 E 0.14 C 0.12 Q 0.09 M 0.04 P 0.03 K 0.03 V 0.03 I 0.02 C Shift Assignments>> C :: 175.453 CB :: 30.362 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) H Shift Assignments>> H :: 8.268 HB2 :: 1.899 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 104.969(S) Ave N Shift Values>> N :: 120.67(3.48) 1.W44 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Suspicious PRTL>> P 0.76 A 0.11 N 0.05 D 0.02 C 0.01 C Shift Assignments>> C :: 174.738 CB :: 49.898(A) 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) H Shift Assignments>> H :: 8.057 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 105.469(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.PTR45 Overall Status: Residue type PTR not supported. 1.P46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.31 L 0.17 R 0.11 H 0.11 Q 0.08 W 0.07 K 0.05 P 0.03 M 0.02 E 0.01 C Shift Assignments>> C :: 176.789 CB :: 28.023 CD :: 50.280 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) H Shift Assignments>> HB2 :: 1.870 HD2 :: 3.291 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 106.719(A) Ave N Shift Values>> N :: 134.16(6.62) 1.E47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> H 0.16 W 0.15 R 0.15 E 0.14 C 0.12 Q 0.09 M 0.04 P 0.03 K 0.03 V 0.03 I 0.01 C Shift Assignments>> CB :: 30.367 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) H Shift Assignments>> H :: 8.409 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 106.969(S) Ave N Shift Values>> N :: 120.67(3.48) 1.E48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> L 0.98 I 0.01 C Shift Assignments>> C :: 176.939 CB :: 40.132 CD1 :: 24.898 CD2 :: 21.773 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) H Shift Assignments>> H :: 8.377 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 108.969(S) Ave N Shift Values>> N :: 121.86(3.9) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 177.384 CB :: 41.695 CD1 :: 24.950 CD2 :: 23.340 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) H Shift Assignments>> H :: 8.307 HB2 :: 1.591 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.969 Ave N Shift Values>> N :: 121.86(3.9) 1.TPO51 Overall Status: Residue type TPO not supported. 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.3 K 0.09 D 0.09 F 0.06 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 176.584 CB :: 42.867 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.789 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.469 Ave N Shift Values>> N :: 120.65(3.86) 1.G53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.215 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.307 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.219 Ave N Shift Values>> N :: 109.67(3.87) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.24 C 0.12 I 0.11 R 0.1 P 0.08 Q 0.02 W 0.01 H 0.01 C Shift Assignments>> C :: 175.982 CB :: 25.679 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) H Shift Assignments>> H :: 8.385 HB2 :: 1.901 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.094 Ave N Shift Values>> N :: 120.67(3.48) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 175.857 CB :: 45.992 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.307 HB2 :: 2.561 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.219 Ave N Shift Values>> N :: 120.65(3.86) 1.D56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.36 L 0.3 G 0.12 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 175.795 CB :: 43.648 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.174 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 105.344(S) Ave N Shift Values>> N :: 120.65(3.86) 1.V57 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 Q 0.21 K 0.04 C Shift Assignments>> C :: 175.567 CB :: 32.711 CG1 :: 31.539(S) 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) H Shift Assignments>> H :: 8.385 HB :: 1.991 HG11 :: 0.845 HG12 :: 0.845 HG13 :: 0.845 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.094 Ave N Shift Values>> N :: 121.14(4.54) 1.F58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> F 0.26 Y 0.2 D 0.15 I 0.13 N 0.11 L 0.05 C 0.05 C Shift Assignments>> C :: 174.537 CB :: 39.977 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) H Shift Assignments>> H :: 8.002 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 106.219(S) Ave N Shift Values>> N :: 120.45(4.18) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.18 F 0.16 K 0.14 Y 0.11 I 0.05 C 0.04 N 0.03 R 0.01 C Shift Assignments>> CB :: 41.304 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.307 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.844 Ave N Shift Values>> N :: 120.65(3.86) 1.P60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 C 0.25 R 0.16 H 0.07 Q 0.06 W 0.05 K 0.02 M 0.01 C Shift Assignments>> C :: 176.830 CB :: 27.242(S) CD :: 50.790 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) H Shift Assignments>> HB2 :: 1.946 HD2 :: 3.572 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 131.844 Ave N Shift Values>> N :: 134.16(6.62) 1.D61 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.18 K 0.17 V 0.16 Q 0.11 P 0.05 R 0.03 H 0.03 W 0.02 E 0.01 C Shift Assignments>> C :: 176.348 CB :: 33.101(S) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.323 HB2 :: 2.568 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 109.094 Ave N Shift Values>> N :: 120.65(3.86) 1.L62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 A 0.25 G 0.19 L 0.16 C Shift Assignments>> C :: 177.087 CB :: 49.117(S) CD1 :: 24.860 CD2 :: 23.480 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) H Shift Assignments>> H :: 8.385 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.469 Ave N Shift Values>> N :: 121.86(3.9) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.25 D 0.14 F 0.09 R 0.07 Y 0.06 C 0.03 I 0.02 N 0.01 C Shift Assignments>> C :: 176.075 CB :: 42.086 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.393 HB2 :: 2.561 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 132.469 Ave N Shift Values>> N :: 120.65(3.86) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 N 0.25 Y 0.19 F 0.13 C 0.08 D 0.04 L 0.01 E 0.01 C Shift Assignments>> CB :: 38.570 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) H Shift Assignments>> H :: 8.057 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 130.719 Ave N Shift Values>> N :: 120.09(3.57) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.18 Q 0.12 K 0.1 V 0.1 I 0.04 Y 0.02 N 0.01 H 0.01 C Shift Assignments>> C :: 176.208 CB :: 35.054 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) H Shift Assignments>> H :: 8.307 HG2 :: 2.180 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.094 Ave N Shift Values>> N :: 120.67(3.48) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 K 0.13 C Shift Assignments>> C :: 175.656 CB :: 32.711 CG1 :: 22.554 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) H Shift Assignments>> H :: 8.307 HB :: 1.933 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.730 HG22 :: 0.730 HG23 :: 0.730 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.219 Ave N Shift Values>> N :: 121.14(4.54) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 K 0.13 C Shift Assignments>> C :: 175.643 CB :: 32.972 CG1 :: 22.554 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) H Shift Assignments>> H :: 10.052 HB :: 1.944 HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.469 Ave N Shift Values>> N :: 121.14(4.54) 1.F68 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 V 0.15 M 0.14 K 0.14 P 0.12 R 0.06 H 0.05 W 0.04 Q 0.03 E 0.03 C Shift Assignments>> C :: 175.499 CB :: 32.320(S) 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) H Shift Assignments>> H :: 8.362 HB2 :: 2.954 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.469 Ave N Shift Values>> N :: 120.45(4.18) 1.E69 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.45 T 0.32 A 0.14 L 0.03 C 0.02 C Shift Assignments>> C :: 176.182 CB :: 20.992(S) 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) H Shift Assignments>> H :: 8.135 HB2 :: 1.902 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 108.844(S) Ave N Shift Values>> N :: 120.67(3.48) 1.T70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 V 0.03 C Shift Assignments>> C :: 173.695 CB :: 76.851(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.065 HB :: 4.205 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.719 Ave N Shift Values>> N :: 115.42(4.75) 1.Q71 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 I 0.15 N 0.14 D 0.12 C 0.06 L 0.04 C Shift Assignments>> CB :: 39.742(S) 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) H Shift Assignments>> H :: 8.393 HB2 :: 1.910 HE21 :: 7.510 HE22 :: 6.780 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 129.594 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 33 #Clerical: 0 #Suspicious: 21 #Anomalous: 5 #Mistyped: 10 #Indeterminable: 0 Typing Results: #Consistent: 54 #Suspicious: 1 #Mistyped: 10 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 69 #Suspicious: 0 C Shift Results: #Consistent: 138 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 2 H Shift Results: #Consistent: 205 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 41 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 4 Error Summary: 1.S2 N = 133.969(A), Expected = 116.28, Std = 3.5200, ChiSquare = 5.0269e-07 1.M5 N = 133.719(S), Expected = 120.09, Std = 3.5700, ChiSquare = 1.3473e-04 1.T7 Typing: Mistyped 1.T7 CG2 = 30.757(S), Expected = 21.55, Std = 1.1100, ChiSquare = 1.0896e-16 1.T7 N = 133.594(S), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3019e-04 1.T8 Typing: Mistyped 1.T8 CG2 = 16.304(S), Expected = 21.55, Std = 1.1100, ChiSquare = 2.2884e-06 1.T8 N = 131.469(S), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2820e-04 1.E12 N = 103.719(A), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1105e-06 1.I13 N = 104.094(S), Expected = 121.46, Std = 4.2800, ChiSquare = 4.9606e-05 1.A15 N = 104.219(S), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8589e-08 1.H16 N = 104.344(A), Expected = 119.69, Std = 4.0000, ChiSquare = 1.2480e-04 1.S17 N = 102.344(S), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5236e-05 1.T19 CB = 77.242(S), Expected = 69.73, Std = 1.6300, ChiSquare = 4.0541e-06 1.F20 N = 104.094(S), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1187e-05 1.E21 N = 104.719(S), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5699e-06 1.E22 N = 105.594(S), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4764e-05 1.S27 Typing: Mistyped 1.S27 CB = 69.820(S), Expected = 63.80, Std = 1.4800, ChiSquare = 4.7506e-05 1.L29 N = 104.969(S), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4842e-05 1.Q30 Typing: Mistyped 1.Q30 CB = 20.211(A), Expected = 29.19, Std = 1.8200, ChiSquare = 8.0762e-07 1.Q30 N = 105.594(S), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1538e-05 1.Y31 N = 105.969(S), Expected = 120.52, Std = 4.2000, ChiSquare = 5.3117e-04 1.R32 CD = 39.742(S), Expected = 43.16, Std = 0.8800, ChiSquare = 1.0271e-04 1.R32 N = 106.094(S), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4369e-05 1.F35 N = 106.344(S), Expected = 120.45, Std = 4.1800, ChiSquare = 7.3912e-04 1.L37 Typing: Mistyped 1.L37 CD1 = 16.304(S), Expected = 24.72, Std = 1.5900, ChiSquare = 1.2027e-07 1.L37 N = 108.219(S), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6930e-04 1.K39 CD = 24.390(S), Expected = 28.96, Std = 1.0800, ChiSquare = 2.3216e-05 1.E43 N = 104.969(S), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4285e-06 1.W44 Typing: Suspicious 1.W44 CB = 49.898(A), Expected = 30.01, Std = 2.0100, ChiSquare = 4.3968e-23 1.W44 N = 105.469(S), Expected = 121.68, Std = 4.1800, ChiSquare = 1.0522e-04 1.P46 N = 106.719(A), Expected = 134.16, Std = 6.6200, ChiSquare = 3.3957e-05 1.E47 N = 106.969(S), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2483e-05 1.L49 N = 108.969(S), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4846e-04 1.D56 N = 105.344(S), Expected = 120.65, Std = 3.8600, ChiSquare = 7.3308e-05 1.V57 Typing: Mistyped 1.V57 CG1 = 31.539(S), Expected = 21.49, Std = 1.3600, ChiSquare = 1.4797e-13 1.F58 N = 106.219(S), Expected = 120.45, Std = 4.1800, ChiSquare = 6.6274e-04 1.P60 CB = 27.242(S), Expected = 31.85, Std = 1.1800, ChiSquare = 9.4192e-05 1.D61 Typing: Mistyped 1.D61 CB = 33.101(S), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5720e-06 1.L62 CB = 49.117(S), Expected = 42.31, Std = 1.8800, ChiSquare = 2.9376e-04 1.F68 Typing: Mistyped 1.F68 CB = 32.320(S), Expected = 39.99, Std = 2.0900, ChiSquare = 2.4269e-04 1.E69 Typing: Mistyped 1.E69 CB = 20.992(S), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5797e-07 1.E69 N = 108.844(S), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7812e-04 1.T70 CB = 76.851(S), Expected = 69.73, Std = 1.6300, ChiSquare = 1.2498e-05 1.Q71 Typing: Mistyped 1.Q71 CB = 39.742(S), Expected = 29.19, Std = 1.8200, ChiSquare = 6.7190e-09