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: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.14 C 0.11 W 0.11 E 0.1 R 0.1 L 0.03 M 0.03 I 0.01 C Shift Assignments>> CA :: 55.218 CB :: 28.842 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 :: 8.175 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 :: 122.368 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T8 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 13.961(A) CA :: 61.486 CB :: 69.316 CG2 :: 21.288 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 :: 8.027 HA :: 4.189 HB :: 4.011 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 115.175 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.E9 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.27 K 0.13 Q 0.13 M 0.06 I 0.01 C Shift Assignments>> C :: 15.555(A) CA :: 55.868 CB :: 29.611 CG :: 35.772 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 :: 8.233 HA :: 4.060 HB2 :: 1.777 HB3 :: 1.652 HG2 :: 2.040 HG3 :: 1.959 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 :: 123.496 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.H10 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.17 H 0.16 K 0.14 C 0.13 W 0.11 R 0.1 E 0.08 M 0.04 L 0.04 C Shift Assignments>> C :: 13.742(A) CA :: 53.932 CB :: 28.922 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 :: 7.369 HA :: 4.413 HB2 :: 1.948 HB3 :: 0.868(S) 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 :: 119.084 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.K11 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 C 0.32 R 0.05 C Shift Assignments>> C :: 16.210(A) CA :: 54.245 CB :: 33.548 CG :: 24.707 CD :: 28.945 CE :: 41.718 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 :: 8.409 HA :: 4.469 HB2 :: 1.793 HB3 :: 1.607 HG2 :: 1.356 HD2 :: 1.660 HE2 :: 2.945 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 :: 121.509 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.E12 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 18.023(A) CA :: 58.350 CB :: 29.254 CG :: 36.392 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 :: 8.926 HA :: 4.240 HB2 :: 2.069 HB3 :: 2.018 HG2 :: 2.384 HG3 :: 2.299 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 :: 122.841 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.G13 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 14.141(A) CA :: 45.243 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.725 HA2 :: 4.354 HA3 :: 3.741 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.215 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.E14 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 M 0.18 Q 0.03 K 0.02 C Shift Assignments>> C :: 16.436(A) CA :: 55.641 CB :: 30.989 CG :: 36.432 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 :: 8.294 HA :: 4.499 HB2 :: 2.236 HB3 :: 2.026 HG2 :: 2.286 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 :: 120.782 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.K15 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 HN Overlap>> 1.M45 1.M45 C Shift Assignments>> C :: 16.970(A) CA :: 57.098 CB :: 31.680 CG :: 24.834 CD :: 29.577 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 :: 8.978 HA :: 4.100 HB2 :: 1.815 HB3 :: 1.654 HG2 :: 1.097 HD2 :: 1.625 HD3 :: 1.575 HE2 :: 2.871 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 :: 124.913 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) 1.V16 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 V 0.03 C Shift Assignments>> C :: 14.148(A) CA :: 60.141 CB :: 34.881 CG1 :: 17.463 CG2 :: 21.019 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 :: 8.976 HA :: 4.572 HB :: 2.030 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 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 :: 119.007 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.A17 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 A 0.35 C 0.14 K 0.03 C Shift Assignments>> C :: 14.664(A) CA :: 51.098 CB :: 22.853 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.023 HA :: 5.186 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.167 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) (C > CB : 1.0000) 1.M18 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.27 E 0.16 Q 0.16 K 0.03 C Shift Assignments>> C :: 14.413(A) CA :: 53.607 CB :: 35.038 CG :: 31.194 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 :: 8.150 HA :: 5.303 HB2 :: 1.938 HG2 :: 2.509 HG3 :: 2.438 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 :: 116.475 Ave N Shift Values>> N :: 120.09(3.57) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.L19 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 G 0.4 C 0.11 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 13.617(A) CA :: 52.851 CB :: 44.705 CG :: 27.247 CD1 :: 17.575(S) 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 :: 9.377 HA :: 5.268 HB2 :: 2.045 HB3 :: 1.282 HG :: 1.521 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 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 :: 126.244 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) 1.N20 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.29 L 0.15 C 0.06 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 14.316(A) CA :: 51.344 CB :: 40.972 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 :: 10.032 HA :: 5.340 HB2 :: 2.750 HB3 :: 2.656 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 :: 126.410 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.I21 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.32 A 0.03 C Shift Assignments>> C :: 14.409(A) CA :: 58.243 CB :: 37.477 CG1 :: 26.182 CG2 :: 19.799 CD1 :: 13.654 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 :: 8.603 HA :: 4.829 HB :: 2.066 HG12 :: 1.695 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 123.597 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 65.629 CB :: 31.806 CG :: 26.793 CD :: 50.546 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>> HA :: 4.178 HB2 :: 2.318 HB3 :: 1.961 HG2 :: 2.033 HG3 :: 1.807 HD2 :: 4.044 HD3 :: 3.681 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) 1.K23 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 17.231(A) CA :: 58.643 CB :: 33.171 CG :: 24.550 CD :: 29.270 CE :: 49.998(S) 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 :: 9.374 HA :: 3.978 HB2 :: 1.971 HB3 :: 1.396 HG2 :: 1.373 HD2 :: 1.664 HE2 :: 2.950 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 :: 118.170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.L24 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.34 C 0.15 R 0.03 G 0.02 C Shift Assignments>> C :: 15.562(A) CA :: 52.965 CB :: 42.473 CG :: 27.081 CD1 :: 25.197 CD2 :: 21.435 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 :: 6.919 HA :: 4.319 HB2 :: 1.677 HB3 :: 1.439 HG :: 1.456 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.714 HD22 :: 0.714 HD23 :: 0.714 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 :: 111.810 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) (C > CD2 : 1.0000) 1.K25 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.29 R 0.16 L 0.02 C Shift Assignments>> C :: 15.297(A) CA :: 56.598 CB :: 28.918 CG :: 24.761 CD :: 29.055 CE :: 41.719 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 :: 7.921 HA :: 3.849 HB2 :: 1.972 HB3 :: 1.816 HG2 :: 1.333 HD2 :: 1.675 HE2 :: 2.940 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 :: 115.814 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.K26 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 K 0.2 R 0.05 A 0.01 C Shift Assignments>> C :: 13.961(A) CA :: 53.788 CB :: 37.483 CG :: 24.611 CD :: 28.695 CE :: 41.527 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 :: 6.765 HA :: 4.559 HB2 :: 1.380 HB3 :: 1.301 HG2 :: 1.149 HD2 :: 1.487 HE2 :: 2.866 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 :: 115.145 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.K27 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.4 A 0.01 C Shift Assignments>> C :: 15.482(A) CA :: 53.883 CB :: 35.855 CG :: 24.552 CE :: 41.348 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 :: 7.857 HA :: 5.452 HB2 :: 1.628 HB3 :: 1.473 HG2 :: 1.198 HE2 :: 2.739 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 :: 119.566 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CE : 1.0000) 1.F28 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.38 C 0.15 G 0.04 C Shift Assignments>> C :: 15.477(A) CA :: 56.100 CB :: 42.734 CD1 :: 132.113 CE1 :: 131.884 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 :: 9.397 HA :: 4.871 HB2 :: 3.176 HB3 :: 2.700 HD1 :: 7.130 HD2 :: 7.130 HE1 :: 7.132 HE2 :: 7.132 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 :: 118.909 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.S29 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 12.010(A) CA :: 59.961 CB :: 64.433 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.010 HA :: 4.848 HB2 :: 3.939 HB3 :: 3.347 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 :: 121.189 Ave N Shift Values>> N :: 116.28(3.52) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.I30 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.38 A 0.05 C Shift Assignments>> C :: 14.874(A) CA :: 57.775 CB :: 38.001 CG1 :: 25.832 CG2 :: 19.059 CD1 :: 14.013 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 :: 8.079 HA :: 4.942 HB :: 1.545 HG12 :: 0.951 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 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 :: 120.589 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.Y31 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 14.806(A) CA :: 56.120 CB :: 41.139 CD1 :: 132.447 CE1 :: 131.038(S) 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 :: 9.197 HA :: 5.299 HB2 :: 2.745 HB3 :: 2.663 HD1 :: 7.138 HD2 :: 7.138 HE1 :: 6.721 HE2 :: 6.721 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 :: 127.458 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.W32 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 15.194(A) CA :: 57.396 CB :: 29.670 CD1 :: 123.380 CE3 :: 112.995(S) CZ2 :: 105.280(A) CZ3 :: 115.854(S) CH2 :: 119.217 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 :: 9.018 HA :: 4.583 HB2 :: 3.699 HB3 :: 2.999 HD1 :: 6.586 HE1 :: 10.176 HE3 :: 7.340 HZ2 :: 7.514 HZ3 :: 6.996 HH2 :: 7.112 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 :: 121.993 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CZ2 : 1.0000) (C > CZ3 : 1.0000) (C > CH2 : 1.0000) 1.G33 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 11.936(A) CA :: 44.532 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.771 HA2 :: 4.460 HA3 :: 3.098 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 120.470 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.A34 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 16.174(A) CA :: 49.913 CB :: 18.955 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.901 HA :: 4.445 HB1 :: 0.897 HB2 :: 0.897 HB3 :: 0.897 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.239 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) (C > CB : 1.0000) 1.D35 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.09 F 0.06 C 0.04 Y 0.04 R 0.02 C Shift Assignments>> C :: 15.990(A) CA :: 53.030 CB :: 41.508 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 :: 7.956 HA :: 4.450 HB2 :: 2.683 HB3 :: 2.599 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 :: 118.828 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.D36 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.17 F 0.16 Y 0.15 L 0.13 C 0.09 I 0.01 C Shift Assignments>> C :: 17.296(A) CA :: 55.183 CB :: 39.837 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 :: 8.536 HA :: 4.342 HB2 :: 2.647 HB3 :: 2.509 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 :: 120.955 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.A37 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.38 C 0.01 I 0.01 C Shift Assignments>> C :: 19.598(A) CA :: 53.967 CB :: 18.009 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.160 HA :: 4.060 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.387 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.T38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.617 HA :: 3.850 HB :: 4.413 HG21 :: 1.011 HG22 :: 1.011 HG23 :: 1.011 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 :: 113.721 Ave N Shift Values>> N :: 115.42(4.75) 1.L39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.875 HA3 :: 3.658 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.310 Ave N Shift Values>> N :: 109.67(3.87) 1.V43 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.35 C 0.28 P 0.08 K 0.06 W 0.05 R 0.03 M 0.03 Q 0.03 H 0.02 E 0.01 C Shift Assignments>> C :: 14.308(A) CA :: 61.079 CB :: 32.911 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 :: 8.262 HA :: 4.481 HB :: 1.934 HG11 :: 0.766 HG12 :: 0.766 HG13 :: 0.766 HG21 :: 0.675 HG22 :: 0.675 HG23 :: 0.675 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 :: 121.961 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.G44 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 12.465(A) CA :: 44.348 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.048 HA2 :: 4.270 HA3 :: 3.650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.136 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.M45 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.25 Q 0.22 E 0.11 K 0.04 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 13.873(A) CA :: 54.084 CB :: 34.548 CG :: 31.147 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 :: 8.966 HA :: 4.742 HB2 :: 1.875 HB3 :: 1.558 HG2 :: 2.296 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 :: 124.825 Ave N Shift Values>> N :: 120.09(3.57) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.F46 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.29 C 0.19 C Shift Assignments>> C :: 15.023(A) CA :: 59.286 CB :: 40.644 CD1 :: 131.000 CE1 :: 132.709 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 :: 8.803 HA :: 3.645 HB2 :: 2.721 HB3 :: 2.541 HD1 :: 6.756 HD2 :: 6.756 HE1 :: 7.138 HE2 :: 7.138 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 :: 127.637 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.V47 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 V 0.13 C Shift Assignments>> C :: 14.235(A) CA :: 61.455 CB :: 32.002 CG1 :: 19.948 CG2 :: 17.392 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 :: 7.935 HA :: 3.663 HB :: 1.416 HG11 :: 0.547 HG12 :: 0.547 HG13 :: 0.547 HG21 :: -0.676(S) HG22 :: -0.676(S) HG23 :: -0.676(S) 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 :: 130.544 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.S48 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 13.167(A) CA :: 57.384 CB :: 65.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.966 HA :: 4.626 HB2 :: 4.039 HB3 :: 3.870 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 :: 120.133 Ave N Shift Values>> N :: 116.28(3.52) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.D49 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 L 0.15 Y 0.14 N 0.13 C 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 14.539(A) CA :: 55.222 CB :: 40.206 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 :: 8.687 HA :: 4.603 HB2 :: 2.738 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 :: 116.474 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.V50 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.26 C Shift Assignments>> C :: 14.487(A) CA :: 60.840 CB :: 32.067 CG1 :: 20.930 CG2 :: 17.961 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 :: 7.765 HA :: 4.478 HB :: 2.312 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 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 :: 109.279 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.T51 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.42 A 0.01 C Shift Assignments>> C :: 14.591(A) CA :: 58.487 CB :: 71.674 CG2 :: 22.071 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 :: 7.095 HA :: 5.293 HB :: 4.975 HG21 :: 0.700 HG22 :: 0.700 HG23 :: 0.700 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 :: 110.412 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.T52 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 T 0.27 A 0.03 C Shift Assignments>> C :: 17.060(A) CA :: 59.777 CB :: 72.911 CG2 :: 19.322 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 :: 8.829 HA :: 4.988 HB :: 4.516 HG21 :: 0.995 HG22 :: 0.995 HG23 :: 0.995 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 :: 109.531 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.T53 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.3 S 0.07 C Shift Assignments>> C :: 16.085(A) CA :: 60.920 CB :: 67.192 CG2 :: 22.332 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 :: 8.851 HA :: 4.601 HB :: 4.134 HG21 :: 1.629 HG22 :: 1.629 HG23 :: 1.629 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 :: 113.821 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.P54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.71 P 0.24 G 0.04 C Shift Assignments>> CA :: 64.658 CB :: 29.665 CG :: 29.113 CD :: 48.866 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>> HA :: 4.023 HB2 :: 1.617 HB3 :: 0.649(S) HG2 :: 1.447 HG3 :: 1.262 HD2 :: 3.245 HD3 :: 2.138(S) 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) 1.S55 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 16.253(A) CA :: 58.086 CB :: 62.950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.889 HA :: 4.481 HB2 :: 4.128 HB3 :: 4.003 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 :: 105.932 Ave N Shift Values>> N :: 116.28(3.52) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.G56 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 15.832(A) CA :: 45.213 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.728 HA2 :: 4.174 HA3 :: 3.719 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.653 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.G57 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 12.905(A) CA :: 46.480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.471 HA2 :: 3.869 HA3 :: 3.663 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.848 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.G58 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent 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 :: 12.807(A) CA :: 43.642 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.545 HA2 :: 4.372 HA3 :: 3.196 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.941 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.H59 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.35 H 0.08 C Shift Assignments>> C :: 14.930(A) CA :: 52.820 CB :: 30.250 CD2 :: 123.220 CE1 :: 142.939 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 :: 9.517 HA :: 5.162 HB2 :: 3.578 HB3 :: 2.756 HD2 :: 6.795 HE1 :: 7.923 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 :: 127.621 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD2 : 1.0000) (C > CE1 : 1.0000) 1.T60 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 11.847(A) CA :: 61.358 CB :: 69.821 CG2 :: 22.059 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 :: 9.769 HA :: 4.870 HB :: 3.627 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 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 :: 127.768 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.V61 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 13.794(A) CA :: 59.808 CB :: 33.334 CG1 :: 19.899 CG2 :: 19.550 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 :: 8.548 HA :: 4.641 HB :: 1.335 HG11 :: 0.275 HG12 :: 0.275 HG13 :: 0.275 HG21 :: -0.142(S) HG22 :: -0.142(S) HG23 :: -0.142(S) 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 :: 126.493 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.L62 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.26 C 0.12 R 0.05 A 0.04 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> C :: 15.554(A) CA :: 51.143 CB :: 43.344 CG :: 26.577 CD1 :: 26.782 CD2 :: 23.675 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 :: 9.330 HA :: 5.345 HB2 :: 1.698 HB3 :: 1.010 HG :: 1.514 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 HD21 :: 0.659 HD22 :: 0.659 HD23 :: 0.659 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 :: 126.162 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) (C > CD2 : 1.0000) 1.S63 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 14.576(A) CA :: 54.893 CB :: 64.901 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.129 HA :: 5.328 HB2 :: 3.648 HB3 :: 3.349 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 :: 116.370 Ave N Shift Values>> N :: 116.28(3.52) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.G64 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 13.058(A) CA :: 45.547 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.731 HA2 :: 4.309 HA3 :: 3.394 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.708 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.H65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 W 0.09 K 0.09 F 0.08 C 0.08 R 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> CA :: 57.410 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 :: 7.256 HA :: 3.941 HB :: 3.340 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 :: 112.406 Ave N Shift Values>> N :: 115.42(4.75) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.07 K 0.06 W 0.05 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.504 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 :: 8.495 HA :: 4.387 HB2 :: 2.675 HB3 :: 2.513 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 :: 118.436 Ave N Shift Values>> N :: 120.65(3.86) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 H 0.08 Q 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.04 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.203 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 :: 7.838 HA :: 3.777 HB2 :: 1.479 HB3 :: 1.305 HD11 :: 0.538 HD12 :: 0.538 HD13 :: 0.538 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 :: 117.689 Ave N Shift Values>> N :: 121.86(3.9) 1.G74 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 13.703(A) CA :: 45.507 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.882 HA2 :: 4.060 HA3 :: 3.899 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.141 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.Q75 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 M 0.06 E 0.05 R 0.03 C Shift Assignments>> C :: 17.319(A) CA :: 56.016 CB :: 29.310 CG :: 33.660 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 :: 7.593 HA :: 4.229 HB2 :: 2.216 HB3 :: 1.949 HG2 :: 2.388 HG3 :: 2.324 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 :: 115.943 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.L76 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.25 R 0.05 C Shift Assignments>> C :: 15.639(A) CA :: 54.578 CB :: 41.720 CG :: 27.077 CD1 :: 26.131 CD2 :: 24.590 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 :: 7.279 HA :: 4.373 HB2 :: 2.009 HB3 :: 1.310 HG :: 1.690 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.799 HD22 :: 0.799 HD23 :: 0.799 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 :: 117.715 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) (C > CD2 : 1.0000) 1.K77 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.39 R 0.06 A 0.01 G 0.01 C Shift Assignments>> C :: 15.553(A) CA :: 53.336 CB :: 36.380 CG :: 24.915 CD :: 28.317 CE :: 41.616 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 :: 9.508 HA :: 4.545 HB2 :: 1.844 HB3 :: 1.613 HG2 :: 1.355 HD2 :: 1.705 HE2 :: 3.001 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 :: 122.125 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.E78 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.27 I 0.26 K 0.05 Q 0.02 C Shift Assignments>> C :: 17.053(A) CA :: 59.205 CB :: 28.284 CG :: 36.480 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 :: 8.894 HA :: 3.523 HB2 :: 1.926 HG2 :: 2.241 HG3 :: 2.126 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 :: 118.769 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.K79 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.29 R 0.15 C Shift Assignments>> C :: 16.434(A) CA :: 59.231 CB :: 29.657 CG :: 25.505 CD :: 28.594 CE :: 41.704 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 :: 8.900 HA :: 3.751 HB2 :: 2.405 HB3 :: 1.988 HG2 :: 1.407 HD2 :: 1.671 HD3 :: 1.619 HE2 :: 2.968 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 :: 114.676 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.D80 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.19 F 0.11 Y 0.08 R 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 15.886(A) CA :: 55.661 CB :: 41.782 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 :: 8.046 HA :: 4.946 HB2 :: 3.187 HB3 :: 2.639 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 :: 119.539 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.T81 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 14.221(A) CA :: 61.103 CB :: 71.264 CG2 :: 22.351 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 :: 8.083 HA :: 5.321 HB :: 4.028 HG21 :: 1.208 HG22 :: 1.208 HG23 :: 1.208 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 :: 111.423 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.L82 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.24 C 0.15 C Shift Assignments>> C :: 14.850(A) CA :: 53.721 CB :: 45.655 CG :: 25.931 CD1 :: 24.718 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 :: 8.674 HA :: 4.836 HB2 :: 1.554 HB3 :: 1.205 HG :: 0.595 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 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 :: 120.298 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) 1.V83 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.47 I 0.01 C Shift Assignments>> C :: 14.766(A) CA :: 61.157 CB :: 34.923 CG1 :: 20.998 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 :: 8.670 HA :: 5.269 HB :: 2.054 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 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 :: 121.676 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) 1.L84 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.39 L 0.12 C Shift Assignments>> C :: 15.644(A) CA :: 53.160 CB :: 46.815 CG :: 27.972 CD1 :: 26.408 CD2 :: 25.507 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 :: 10.036 HA :: 5.647 HB2 :: 1.888 HB3 :: 1.704 HG :: 1.663 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.063 HD22 :: 0.063 HD23 :: 0.063 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 :: 129.813 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) (C > CD2 : 1.0000) 1.E85 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.29 M 0.23 Q 0.09 K 0.03 HN Overlap>> 1.Y86 1.Y86 C Shift Assignments>> C :: 15.910(A) CA :: 54.716 CB :: 30.904 CG :: 35.789 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 :: 9.117 HA :: 5.293 HB2 :: 2.023 HB3 :: 1.977 HG2 :: 2.155 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 :: 125.094 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.Y86 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 G 0.02 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 14.077(A) CA :: 57.516 CB :: 41.720 CD1 :: 136.106 CE1 :: 108.838(A) 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 :: 9.053 HA :: 4.825 HB2 :: 2.958 HB3 :: 2.828 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 6.878 HE2 :: 6.878 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 :: 125.117 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.D87 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.25 N 0.24 F 0.13 Y 0.12 L 0.11 C 0.09 I 0.01 C Shift Assignments>> C :: 11.773(A) CA :: 54.613 CB :: 39.659 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 :: 9.071 HA :: 3.921 HB2 :: 2.662 HB3 :: 1.438(S) 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 :: 130.832 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.N88 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.19 Y 0.12 E 0.11 F 0.09 M 0.05 D 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 13.995(A) CA :: 54.528 CB :: 37.383 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 :: 8.623 HA :: 4.193 HB2 :: 2.953 HB3 :: 2.915 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 :: 109.843 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.K89 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.37 R 0.09 C Shift Assignments>> C :: 14.644(A) CA :: 55.133 CB :: 36.460 CG :: 25.254 CD :: 28.711 CE :: 41.513 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 :: 7.921 HA :: 4.743 HB2 :: 1.783 HB3 :: 1.243 HG2 :: 1.372 HG3 :: 1.124 HD2 :: 1.549 HD3 :: 1.458 HE2 :: 2.827 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 :: 119.021 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.T90 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.S146 1.S146 C Shift Assignments>> C :: 12.823(A) CA :: 61.745 CB :: 69.709 CG2 :: 22.062 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 :: 8.464 HA :: 4.819 HB :: 3.297 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 117.141 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.Y91 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 F 0.03 C Shift Assignments>> C :: 14.313(A) CA :: 56.764 CB :: 41.054 CD1 :: 129.785 CE1 :: 124.353(S) 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 :: 9.564 HA :: 4.620 HB2 :: 3.115 HB3 :: 2.734 HD1 :: 7.132 HD2 :: 7.132 HE1 :: 6.869 HE2 :: 6.869 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 :: 127.333 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.T92 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.T120 1.T120 C Shift Assignments>> C :: 12.464(A) CA :: 61.320 CB :: 69.546 CG2 :: 21.159 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 :: 8.705 HA :: 4.941 HB :: 3.932 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 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 :: 117.512 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.Y93 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 G 0.16 F 0.1 C Shift Assignments>> C :: 14.846(A) CA :: 55.804 CB :: 42.627 CD1 :: 134.739 CE1 :: 135.823(A) 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 :: 9.381 HA :: 5.431 HB2 :: 2.617 HB3 :: 2.569 HD1 :: 6.722 HD2 :: 6.722 HE1 :: 6.482 HE2 :: 6.482 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 :: 122.729 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.E94 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.16 E 0.08 C Shift Assignments>> C :: 17.060(A) CA :: 54.073 CB :: 33.787 CG :: 37.124 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 :: 9.114 HA :: 4.901 HB2 :: 1.922 HB3 :: 1.838 HG2 :: 2.077 HG3 :: 1.924 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 :: 121.240 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.I95 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 HN Overlap>> 1.L119 1.L119 C Shift Assignments>> C :: 16.261(A) CA :: 64.664 CB :: 37.472 CG1 :: 24.334 CG2 :: 17.549 CD1 :: 14.249 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 :: 9.293 HA :: 3.737 HB :: 1.978 HG12 :: 1.209 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 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 :: 128.345 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.Q96 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.29 Q 0.16 K 0.08 C Shift Assignments>> C :: 14.674(A) CA :: 54.632 CB :: 31.165 CG :: 32.347 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 :: 10.101 HA :: 4.831 HB2 :: 2.153 HB3 :: 2.042 HG2 :: 2.342 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 :: 127.034 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.K97 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.21 I 0.05 E 0.03 L 0.01 Q 0.01 C Shift Assignments>> C :: 13.200(A) CA :: 56.528 CB :: 36.462 CG :: 25.019 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 :: 7.958 HA :: 4.658 HB2 :: 1.739 HG2 :: 1.334 HE2 :: 2.877 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 :: 120.642 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.I98 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 G 0.02 C Shift Assignments>> C :: 15.821(A) CA :: 60.078 CB :: 42.082 CG1 :: 27.991 CG2 :: 16.427 CD1 :: 21.413(S) 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 :: 8.458 HA :: 5.221 HB :: 1.459 HG12 :: 1.347 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 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 :: 124.929 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) (C > CD1 : 1.0000) 1.W99 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.35 H 0.26 C Shift Assignments>> C :: 10.353(A) CA :: 56.388 CB :: 31.158 CD1 :: 125.125 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 :: 9.284 HA :: 4.661 HB2 :: 3.146 HB3 :: 3.088 HD1 :: 6.674 HE1 :: 10.164 HE3 :: 6.999 HZ3 :: 6.727 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 :: 129.003 NE1 :: 129.308 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) 1.I100 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.48 C Shift Assignments>> C :: 16.258(A) CA :: 58.973 CB :: 40.734 CG1 :: 28.706 CG2 :: 17.990 CD1 :: 13.717 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 :: 7.778 HA :: 4.616 HB :: 1.238 HG12 :: 1.042 HG13 :: 0.117 HG21 :: 0.542 HG22 :: 0.542 HG23 :: 0.542 HD11 :: 0.350 HD12 :: 0.350 HD13 :: 0.350 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 :: 117.553 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.T101 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 C 0.41 T 0.01 HN Overlap>> 1.K140 1.K140 C Shift Assignments>> C :: 12.069(A) CA :: 57.557 CB :: 70.656 CG2 :: 17.868(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 :: 8.587 HA :: 4.755 HB :: 3.893 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 120.519 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.H102 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 H 0.16 R 0.15 C 0.13 W 0.1 K 0.09 Q 0.08 E 0.08 C Shift Assignments>> C :: 16.781(A) CA :: 54.593 CB :: 31.240 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 :: 8.218 HA :: 5.402 HB2 :: 3.277 HB3 :: 3.236 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 :: 119.885 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.A103 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 17.587(A) CA :: 54.936 CB :: 17.981 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.423 HA :: 3.710 HB1 :: 1.263 HB2 :: 1.263 HB3 :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.632 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) (C > CB : 1.0000) 1.D104 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 15.283(A) CA :: 53.070 CB :: 40.034 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 :: 8.325 HA :: 4.603 HB2 :: 2.732 HB3 :: 2.658 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 :: 114.513 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.D105 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.26 L 0.12 F 0.11 Y 0.1 C 0.08 C Shift Assignments>> C :: 17.674(A) CA :: 54.268 CB :: 39.846 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 :: 7.051 HA :: 4.174 HB2 :: 2.677 HB3 :: 1.908 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 :: 119.184 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.R106 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.3 K 0.22 L 0.07 G 0.01 C Shift Assignments>> C :: 17.709(A) CA :: 55.888 CB :: 29.264 CG :: 26.669 CD :: 42.555 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 :: 8.917 HA :: 4.368 HB2 :: 2.056 HB3 :: 1.678 HG2 :: 1.732 HG3 :: 1.666 HD2 :: 3.119 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 :: 127.834 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) 1.T107 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 13.548(A) CA :: 62.350 CB :: 68.935 CG2 :: 20.849 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 :: 8.868 HA :: 4.164 HB :: 4.353 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 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 :: 111.880 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.V108 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 HN Overlap>> 1.I110 1.I110 C Shift Assignments>> C :: 16.853(A) CA :: 63.878 CB :: 32.470 CG1 :: 21.166 CG2 :: 20.497 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 :: 6.806 HA :: 3.942 HB :: 1.792 HG11 :: 0.749 HG12 :: 0.749 HG13 :: 0.749 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 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 :: 118.800 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.I109 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.2 C Shift Assignments>> C :: 13.191(A) CA :: 60.963 CB :: 33.933 CG1 :: 26.279 CG2 :: 17.237 CD1 :: 11.495 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 :: 8.044 HA :: 3.465 HB :: 1.633 HG12 :: 1.133 HG13 :: 0.368 HG21 :: 0.142 HG22 :: 0.142 HG23 :: 0.142 HD11 :: -0.075 HD12 :: -0.075 HD13 :: -0.075 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 :: 120.219 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.I110 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.07 G 0.03 HN Overlap>> 1.V108 1.V108 C Shift Assignments>> C :: 14.405(A) CA :: 57.932 CB :: 42.146 CG1 :: 24.516 CG2 :: 13.689 CD1 :: 17.361 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 :: 6.877 HA :: 4.542 HB :: 1.881 HG12 :: 1.142 HG13 :: 0.948 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 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 :: 118.810 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CD1 : 1.0000) 1.K111 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.43 R 0.06 C Shift Assignments>> C :: 16.528(A) CA :: 56.695 CB :: 33.092 CG :: 24.810 CD :: 29.229 CE :: 41.712 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 :: 8.514 HA :: 4.609 HB2 :: 1.705 HG2 :: 1.456 HG3 :: 1.346 HD2 :: 1.669 HD3 :: 1.624 HE2 :: 2.944 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 :: 123.169 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.K112 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 G 0.08 A 0.02 R 0.01 C Shift Assignments>> C :: 15.996(A) CA :: 53.271 CB :: 36.089 CG :: 24.836 CD :: 24.771(S) CE :: 42.351 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 :: 8.368 HA :: 4.726 HB2 :: 1.850 HB3 :: 1.626 HG2 :: 1.099 HD2 :: 0.576(S) HE2 :: 2.189(S) HE3 :: 2.086(S) 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 :: 121.364 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.E113 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.29 K 0.14 Q 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 14.477(A) CA :: 55.175 CB :: 29.097 CG :: 36.014 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 :: 8.815 HA :: 4.372 HB2 :: 2.295 HB3 :: 1.726 HG2 :: 2.203 HG3 :: 2.125 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 :: 119.360 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.E114 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.25 Q 0.22 E 0.14 K 0.08 C Shift Assignments>> C :: 12.378(A) CA :: 52.633 CB :: 30.487 CG :: 34.955 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 :: 7.426 HA :: 4.701 HB2 :: 1.954 HG2 :: 2.011 HG3 :: 1.895 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 :: 117.663 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.43 C Shift Assignments>> CA :: 62.352 CB :: 30.706 CG :: 28.362 CD :: 49.760 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>> HA :: 4.725 HB2 :: 2.215 HB3 :: 2.070 HG2 :: 2.239 HG3 :: 1.931 HD2 :: 3.664 HD3 :: 3.596 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) 1.I116 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 A 0.15 I 0.1 C Shift Assignments>> C :: 12.992(A) CA :: 56.976 CB :: 41.420 CG1 :: 26.424 CG2 :: 17.672 CD1 :: 9.887 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 :: 7.830 HA :: 4.785 HB :: 1.489 HG12 :: 1.360 HG13 :: 0.992 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 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 :: 130.249 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.L117 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 C 0.08 A 0.02 C Shift Assignments>> C :: 14.488(A) CA :: 52.062 CB :: 45.447 CG :: 23.848 CD1 :: 25.787 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 :: 8.838 HA :: 5.307 HB2 :: 0.840 HB3 :: 0.098(S) HG :: 0.361(S) HD11 :: 0.069 HD12 :: 0.069 HD13 :: 0.069 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 :: 128.340 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) 1.T118 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 13.169(A) CA :: 60.596 CB :: 68.558 CG2 :: 22.891 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 :: 8.950 HA :: 5.448 HB :: 3.660 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 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 :: 125.436 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.L119 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 G 0.29 C 0.09 R 0.02 HN Overlap>> 1.I95 1.I95 C Shift Assignments>> C :: 14.404(A) CA :: 52.439 CB :: 44.373 CG :: 27.468 CD1 :: 18.661(S) CD2 :: 25.773 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 :: 9.219 HA :: 5.103 HB2 :: 1.473 HB3 :: 0.970 HG :: 1.241 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.477 HD22 :: 0.477 HD23 :: 0.477 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 :: 128.310 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) (C > CD2 : 1.0000) 1.T120 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.38 C 0.33 A 0.28 HN Overlap>> 1.T92 1.T92 C Shift Assignments>> C :: 12.735(A) CA :: 57.360 CB :: 70.136 CG2 :: 19.916 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 :: 8.640 HA :: 5.590 HB :: 3.653 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 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 :: 117.487 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.T121 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 C 0.48 C Shift Assignments>> C :: 14.145(A) CA :: 59.550 CB :: 71.701 CG2 :: 22.856 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 :: 8.374 HA :: 4.766 HB :: 4.169 HG21 :: 0.456 HG22 :: 0.456 HG23 :: 0.456 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 :: 115.980 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.21 W 0.1 P 0.09 K 0.04 E 0.04 R 0.03 Q 0.03 H 0.03 V 0.01 C Shift Assignments>> CA :: 61.305 CB :: 28.359 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.832 HA :: 4.285 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 :: 120.535 Ave N Shift Values>> N :: 120.17(4.64) 1.Y123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.208 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 :: 7.453 HA :: 3.824 HB2 :: 2.944 HB3 :: 2.734 HD1 :: 7.042 HD2 :: 7.042 HE1 :: 6.759 HE2 :: 6.759 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 :: 121.847 Ave N Shift Values>> N :: 120.52(4.2) 1.P124 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.87 S 0.12 C Shift Assignments>> CA :: 61.450 CB :: 34.271 CD :: 55.846(S) 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>> HA :: 1.977(S) HB2 :: 1.697 HG2 :: 1.485 HD2 :: 3.826 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) 1.F125 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.29 C 0.26 C Shift Assignments>> C :: 16.083(A) CA :: 58.918 CB :: 38.624 CD1 :: 132.448 CE1 :: 132.234 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 :: 7.332 HA :: 4.420 HB2 :: 3.271 HB3 :: 2.669 HD1 :: 7.336 HD2 :: 7.336 HE1 :: 6.972 HE2 :: 6.972 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 :: 120.612 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.D126 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.23 C 0.07 L 0.06 F 0.04 Y 0.04 HN Overlap>> 1.G129 1.G129 C Shift Assignments>> C :: 15.285(A) CA :: 51.974 CB :: 39.454 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 :: 8.170 HA :: 4.548 HB2 :: 2.795 HB3 :: 2.460 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 :: 114.756 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.Y127 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 15.022(A) CA :: 58.734 CB :: 39.330 CD1 :: 131.860 CE1 :: 109.619(A) 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 :: 7.203 HA :: 3.974 HB2 :: 2.765 HB3 :: 2.690 HD1 :: 6.743 HD2 :: 6.743 HE1 :: 6.595 HE2 :: 6.595 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 :: 121.170 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.I128 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 14.579(A) CA :: 60.165 CB :: 37.120 CG1 :: 26.425 CG2 :: 17.969 CD1 :: 13.938 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 :: 7.643 HA :: 4.081 HB :: 1.566 HG12 :: 1.365 HG13 :: 0.993 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 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 :: 127.293 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 1.G129 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.08 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 HN Overlap>> 1.D126 1.D126 C Shift Assignments>> C :: 12.992(A) CA :: 43.458 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.150 HA2 :: 4.265 HA3 :: 3.643 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.707 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.D130 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.31 L 0.11 F 0.08 Y 0.07 C 0.06 C Shift Assignments>> C :: 14.579(A) CA :: 53.344 CB :: 39.979 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 :: 8.568 HA :: 4.639 HB2 :: 2.543 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 :: 122.165 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.A131 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 16.791(A) CA :: 50.186 CB :: 17.692 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.272 HA :: 3.673 HB1 :: 1.142 HB2 :: 1.142 HB3 :: 1.142 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.922 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) (C > CB : 1.0000) 1.P132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D133 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.14 C 0.02 D 0.02 R 0.02 C Shift Assignments>> C :: 15.988(A) CA :: 53.067 CB :: 45.102 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 :: 7.355 HA :: 5.512 HB2 :: 2.658 HB3 :: 2.588 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 :: 117.308 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.R134 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 Q 0.21 C 0.18 K 0.15 H 0.05 R 0.05 W 0.02 E 0.01 C Shift Assignments>> C :: 12.288(A) CA :: 53.958 CB :: 33.787 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 :: 9.303 HA :: 4.901 HB2 :: 1.915 HB3 :: 1.812 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 :: 120.839 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.Y135 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 13.811(A) CA :: 57.419 CB :: 40.515 CD1 :: 135.557 CE1 :: 106.548(A) 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 :: 8.876 HA :: 4.056 HB2 :: 3.063 HB3 :: 2.169 HD1 :: 6.400 HD2 :: 6.400 HE1 :: 6.453 HE2 :: 6.453 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 :: 127.342 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.I136 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 I 0.41 A 0.02 C Shift Assignments>> C :: 13.610(A) CA :: 58.968 CB :: 40.998 CG2 :: 18.892 CD1 :: 11.127 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 :: 8.577 HA :: 4.133 HB :: 1.617 HG21 :: -0.200(S) HG22 :: -0.200(S) HG23 :: -0.200(S) HD11 :: 0.000 HD12 :: 0.000 HD13 :: 0.000 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 :: 128.458 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.I137 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 13.524(A) CA :: 59.873 CB :: 40.767 CG1 :: 27.215 CD1 :: 15.136 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 :: 8.281 HA :: 4.330 HB :: 1.625 HG12 :: 1.277 HG21 :: 0.048 HG22 :: 0.048 HG23 :: 0.048 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 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 :: 123.623 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CD1 : 1.0000) 1.E138 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 M 0.06 E 0.03 C Shift Assignments>> C :: 15.383(A) CA :: 54.895 CB :: 33.904 CG :: 38.315 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 :: 9.159 HA :: 5.219 HB2 :: 2.171 HG2 :: 1.803 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 :: 126.853 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 1.A139 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.37 P 0.27 C 0.19 K 0.07 A 0.05 C Shift Assignments>> C :: 13.789(A) CA :: 50.197 CB :: 24.262 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.313(S) HA :: 5.231 HB1 :: 1.201 HB2 :: 1.201 HB3 :: 1.201 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.616 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) (C > CB : 1.0000) 1.K140 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.39 R 0.01 A 0.01 HN Overlap>> 1.T101 1.T101 C Shift Assignments>> C :: 15.807(A) CA :: 54.250 CB :: 34.937 CG :: 24.286 CD :: 28.930 CE :: 41.488 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 :: 8.498 HA :: 5.062 HB2 :: 1.868 HB3 :: 1.745 HG2 :: 1.479 HG3 :: 1.375 HD2 :: 1.611 HE2 :: 2.880 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 :: 120.511 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 1.L141 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.33 R 0.26 G 0.01 C Shift Assignments>> C :: 17.236(A) CA :: 56.169 CB :: 42.408 CG :: 28.354 CD1 :: 26.133 CD2 :: 23.646 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 :: 7.554 HA :: 4.107 HB2 :: 1.848 HB3 :: 1.415 HG :: 2.231 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 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 :: 126.406 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD1 : 1.0000) (C > CD2 : 1.0000) 1.T142 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 15.187(A) CA :: 60.915 CB :: 69.490 CG2 :: 22.349 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 :: 9.562 HA :: 4.552 HB :: 4.259 HG21 :: 1.148 HG22 :: 1.148 HG23 :: 1.148 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 :: 119.300 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG2 : 1.0000) 1.G143 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 10.713(A) CA :: 45.254 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.520 HA2 :: 4.010 HA3 :: 3.966 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.946 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 1.S144 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 13.178(A) CA :: 56.393 CB :: 65.587 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.896 HA :: 5.059 HB2 :: 3.544 HB3 :: 3.172 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 :: 112.778 Ave N Shift Values>> N :: 116.28(3.52) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 1.Y145 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 14.580(A) CA :: 56.413 CB :: 40.096 CD1 :: 136.380 CE1 :: 107.907(A) 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 :: 8.383 HA :: 4.755 HB2 :: 3.062 HB3 :: 2.815 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.645 HE2 :: 6.645 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 :: 119.351 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CD1 : 1.0000) (C > CE1 : 1.0000) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T90 1.T90 C Shift Assignments>> CA :: 58.000 CB :: 63.905 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.461 HA :: 4.564 HB2 :: 3.835 HB3 :: 3.792 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 :: 117.144 Ave N Shift Values>> N :: 116.28(3.52) 1.K147 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.18 M 0.15 Q 0.12 R 0.08 H 0.07 W 0.06 V 0.04 E 0.04 C Shift Assignments>> C :: 18.496(A) CA :: 57.693 CB :: 32.915 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 :: 7.964 HA :: 4.088 HB2 :: 1.746 HB3 :: 1.585 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 :: 128.709 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) ########################################################################### Overall Results: #Consistent: 27 #Clerical: 0 #Suspicious: 1 #Anomalous: 114 #Mistyped: 5 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 7 #Mistyped: 5 #Indeterminable: 17 Shift Relative Order (SRO) Results: #Consistent: 29 #Suspicious: 118 C Shift Results: #Consistent: 393 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 124 H Shift Results: #Consistent: 807 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 0 N Shift Results: #Consistent: 128 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T8 C = 13.961(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T8 SRO Rule Break>> C > CA : 1 1.T8 SRO Rule Break>> C > CB : 1 1.T8 SRO Rule Break>> C > CG2 : 1 1.E9 C = 15.555(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E9 SRO Rule Break>> C > CA : 1 1.E9 SRO Rule Break>> C > CB : 1 1.E9 SRO Rule Break>> C > CG : 1 1.H10 C = 13.742(A), Expected = 175.25, Std = 1.9700, ChiSquare = 0.0000e+00 1.H10 HB3 = 0.868(S), Expected = 3.04, Std = 0.3800, ChiSquare = 1.0920e-08 1.H10 SRO Rule Break>> C > CA : 1 1.H10 SRO Rule Break>> C > CB : 1 1.K11 C = 16.210(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K11 SRO Rule Break>> C > CA : 1 1.K11 SRO Rule Break>> C > CB : 1 1.K11 SRO Rule Break>> C > CG : 1 1.K11 SRO Rule Break>> C > CD : 1 1.K11 SRO Rule Break>> C > CE : 1 1.E12 C = 18.023(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E12 SRO Rule Break>> C > CA : 1 1.E12 SRO Rule Break>> C > CB : 1 1.E12 SRO Rule Break>> C > CG : 1 1.G13 C = 14.141(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G13 SRO Rule Break>> C > CA : 1 1.E14 C = 16.436(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E14 SRO Rule Break>> C > CA : 1 1.E14 SRO Rule Break>> C > CB : 1 1.E14 SRO Rule Break>> C > CG : 1 1.K15 C = 16.970(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K15 SRO Rule Break>> C > CA : 1 1.K15 SRO Rule Break>> C > CB : 1 1.K15 SRO Rule Break>> C > CG : 1 1.K15 SRO Rule Break>> C > CD : 1 1.V16 C = 14.148(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V16 SRO Rule Break>> C > CA : 1 1.V16 SRO Rule Break>> C > CB : 1 1.V16 SRO Rule Break>> C > CG1 : 1 1.V16 SRO Rule Break>> C > CG2 : 1 1.A17 C = 14.664(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A17 SRO Rule Break>> C > CA : 0.999579478553406 1.A17 SRO Rule Break>> C > CB : 1 1.M18 C = 14.413(A), Expected = 176.18, Std = 2.0900, ChiSquare = 0.0000e+00 1.M18 SRO Rule Break>> C > CA : 1 1.M18 SRO Rule Break>> C > CB : 1 1.M18 SRO Rule Break>> C > CG : 1 1.L19 Typing: Suspicious 1.L19 C = 13.617(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L19 CD1 = 17.575(S), Expected = 24.72, Std = 1.5900, ChiSquare = 6.9993e-06 1.L19 SRO Rule Break>> C > CA : 1 1.L19 SRO Rule Break>> C > CB : 1 1.L19 SRO Rule Break>> C > CG : 1 1.L19 SRO Rule Break>> C > CD1 : 1 1.N20 C = 14.316(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N20 SRO Rule Break>> C > CA : 1 1.N20 SRO Rule Break>> C > CB : 1 1.I21 C = 14.409(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I21 SRO Rule Break>> C > CA : 1 1.I21 SRO Rule Break>> C > CB : 1 1.I21 SRO Rule Break>> C > CG1 : 1 1.I21 SRO Rule Break>> C > CG2 : 1 1.K23 Typing: Mistyped 1.K23 C = 17.231(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K23 CE = 49.998(S), Expected = 41.89, Std = 0.8200, ChiSquare = 4.7023e-23 1.K23 SRO Rule Break>> C > CA : 1 1.K23 SRO Rule Break>> C > CB : 1 1.K23 SRO Rule Break>> C > CG : 1 1.K23 SRO Rule Break>> C > CD : 1 1.K23 SRO Rule Break>> C > CE : 1 1.L24 C = 15.562(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L24 SRO Rule Break>> C > CA : 1 1.L24 SRO Rule Break>> C > CB : 1 1.L24 SRO Rule Break>> C > CG : 1 1.L24 SRO Rule Break>> C > CD1 : 1 1.L24 SRO Rule Break>> C > CD2 : 1 1.K25 C = 15.297(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K25 SRO Rule Break>> C > CA : 1 1.K25 SRO Rule Break>> C > CB : 1 1.K25 SRO Rule Break>> C > CG : 1 1.K25 SRO Rule Break>> C > CD : 1 1.K25 SRO Rule Break>> C > CE : 1 1.K26 C = 13.961(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K26 SRO Rule Break>> C > CA : 1 1.K26 SRO Rule Break>> C > CB : 1 1.K26 SRO Rule Break>> C > CG : 1 1.K26 SRO Rule Break>> C > CD : 1 1.K26 SRO Rule Break>> C > CE : 1 1.K27 C = 15.482(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K27 SRO Rule Break>> C > CA : 1 1.K27 SRO Rule Break>> C > CB : 1 1.K27 SRO Rule Break>> C > CG : 1 1.K27 SRO Rule Break>> C > CE : 1 1.F28 C = 15.477(A), Expected = 175.42, Std = 1.9900, ChiSquare = 0.0000e+00 1.F28 SRO Rule Break>> C > CA : 1 1.F28 SRO Rule Break>> C > CB : 1 1.F28 SRO Rule Break>> C > CD1 : 1 1.F28 SRO Rule Break>> C > CE1 : 1 1.S29 C = 12.010(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.S29 SRO Rule Break>> C > CA : 1 1.S29 SRO Rule Break>> C > CB : 1 1.I30 C = 14.874(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I30 SRO Rule Break>> C > CA : 1 1.I30 SRO Rule Break>> C > CB : 1 1.I30 SRO Rule Break>> C > CG1 : 1 1.I30 SRO Rule Break>> C > CG2 : 1 1.Y31 Typing: Suspicious 1.Y31 C = 14.806(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y31 CE1 = 131.038(S), Expected = 117.93, Std = 1.1900, ChiSquare = 3.2308e-28 1.Y31 SRO Rule Break>> C > CA : 1 1.Y31 SRO Rule Break>> C > CB : 1 1.Y31 SRO Rule Break>> C > CD1 : 1 1.Y31 SRO Rule Break>> C > CE1 : 1 1.W32 Typing: Suspicious 1.W32 C = 15.194(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W32 CE3 = 112.995(S), Expected = 120.43, Std = 1.7900, ChiSquare = 3.2724e-05 1.W32 CZ2 = 105.280(A), Expected = 114.26, Std = 1.1200, ChiSquare = 1.0761e-15 1.W32 CZ3 = 115.854(S), Expected = 121.35, Std = 1.5300, ChiSquare = 3.2795e-04 1.W32 SRO Rule Break>> C > CA : 1 1.W32 SRO Rule Break>> C > CB : 1 1.W32 SRO Rule Break>> C > CD1 : 1 1.W32 SRO Rule Break>> C > CZ2 : 1 1.W32 SRO Rule Break>> C > CZ3 : 1 1.W32 SRO Rule Break>> C > CH2 : 1 1.G33 C = 11.936(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G33 SRO Rule Break>> C > CA : 1 1.A34 C = 16.174(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A34 SRO Rule Break>> C > CA : 0.999579478553406 1.A34 SRO Rule Break>> C > CB : 1 1.D35 C = 15.990(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D35 SRO Rule Break>> C > CA : 1 1.D35 SRO Rule Break>> C > CB : 1 1.D36 C = 17.296(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D36 SRO Rule Break>> C > CA : 1 1.D36 SRO Rule Break>> C > CB : 1 1.A37 C = 19.598(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A37 SRO Rule Break>> C > CA : 0.999579478553406 1.V43 C = 14.308(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V43 SRO Rule Break>> C > CA : 1 1.V43 SRO Rule Break>> C > CB : 1 1.G44 C = 12.465(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G44 SRO Rule Break>> C > CA : 1 1.M45 C = 13.873(A), Expected = 176.18, Std = 2.0900, ChiSquare = 0.0000e+00 1.M45 SRO Rule Break>> C > CA : 1 1.M45 SRO Rule Break>> C > CB : 1 1.M45 SRO Rule Break>> C > CG : 1 1.F46 C = 15.023(A), Expected = 175.42, Std = 1.9900, ChiSquare = 0.0000e+00 1.F46 SRO Rule Break>> C > CA : 1 1.F46 SRO Rule Break>> C > CB : 1 1.F46 SRO Rule Break>> C > CD1 : 1 1.F46 SRO Rule Break>> C > CE1 : 1 1.V47 C = 14.235(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V47 HG21 = -0.676(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3537e-07 1.V47 HG22 = -0.676(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3537e-07 1.V47 HG23 = -0.676(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3537e-07 1.V47 SRO Rule Break>> C > CA : 1 1.V47 SRO Rule Break>> C > CB : 1 1.V47 SRO Rule Break>> C > CG1 : 1 1.V47 SRO Rule Break>> C > CG2 : 1 1.S48 C = 13.167(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.S48 SRO Rule Break>> C > CA : 1 1.S48 SRO Rule Break>> C > CB : 1 1.D49 C = 14.539(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D49 SRO Rule Break>> C > CA : 1 1.D49 SRO Rule Break>> C > CB : 1 1.V50 C = 14.487(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V50 SRO Rule Break>> C > CA : 1 1.V50 SRO Rule Break>> C > CB : 1 1.V50 SRO Rule Break>> C > CG1 : 1 1.V50 SRO Rule Break>> C > CG2 : 1 1.T51 C = 14.591(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T51 SRO Rule Break>> C > CA : 1 1.T51 SRO Rule Break>> C > CB : 1 1.T51 SRO Rule Break>> C > CG2 : 1 1.T52 C = 17.060(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T52 SRO Rule Break>> C > CA : 1 1.T52 SRO Rule Break>> C > CB : 1 1.T52 SRO Rule Break>> C > CG2 : 1 1.T53 C = 16.085(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T53 SRO Rule Break>> C > CA : 1 1.T53 SRO Rule Break>> C > CB : 1 1.T53 SRO Rule Break>> C > CG2 : 1 1.P54 HB3 = 0.649(S), Expected = 2.00, Std = 0.3600, ChiSquare = 1.7489e-04 1.P54 HD3 = 2.138(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.6042e-04 1.S55 C = 16.253(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.S55 SRO Rule Break>> C > CA : 1 1.S55 SRO Rule Break>> C > CB : 1 1.G56 C = 15.832(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G56 SRO Rule Break>> C > CA : 1 1.G57 C = 12.905(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G57 SRO Rule Break>> C > CA : 1 1.G58 C = 12.807(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G58 SRO Rule Break>> C > CA : 1 1.H59 C = 14.930(A), Expected = 175.25, Std = 1.9700, ChiSquare = 0.0000e+00 1.H59 SRO Rule Break>> C > CA : 1 1.H59 SRO Rule Break>> C > CB : 1 1.H59 SRO Rule Break>> C > CD2 : 1 1.H59 SRO Rule Break>> C > CE1 : 1 1.T60 C = 11.847(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T60 SRO Rule Break>> C > CA : 1 1.T60 SRO Rule Break>> C > CB : 1 1.T60 SRO Rule Break>> C > CG2 : 1 1.V61 C = 13.794(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V61 HG21 = -0.142(S), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6742e-04 1.V61 HG22 = -0.142(S), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6742e-04 1.V61 HG23 = -0.142(S), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6742e-04 1.V61 SRO Rule Break>> C > CA : 1 1.V61 SRO Rule Break>> C > CB : 1 1.V61 SRO Rule Break>> C > CG1 : 1 1.V61 SRO Rule Break>> C > CG2 : 1 1.L62 C = 15.554(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L62 SRO Rule Break>> C > CA : 1 1.L62 SRO Rule Break>> C > CB : 1 1.L62 SRO Rule Break>> C > CG : 1 1.L62 SRO Rule Break>> C > CD1 : 1 1.L62 SRO Rule Break>> C > CD2 : 1 1.S63 C = 14.576(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.S63 SRO Rule Break>> C > CA : 1 1.S63 SRO Rule Break>> C > CB : 1 1.G64 C = 13.058(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G64 SRO Rule Break>> C > CA : 1 1.G74 C = 13.703(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G74 SRO Rule Break>> C > CA : 1 1.Q75 C = 17.319(A), Expected = 176.31, Std = 1.9500, ChiSquare = 0.0000e+00 1.Q75 SRO Rule Break>> C > CA : 1 1.Q75 SRO Rule Break>> C > CB : 1 1.Q75 SRO Rule Break>> C > CG : 1 1.L76 C = 15.639(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L76 SRO Rule Break>> C > CA : 1 1.L76 SRO Rule Break>> C > CB : 1 1.L76 SRO Rule Break>> C > CG : 1 1.L76 SRO Rule Break>> C > CD1 : 1 1.L76 SRO Rule Break>> C > CD2 : 1 1.K77 C = 15.553(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K77 SRO Rule Break>> C > CA : 1 1.K77 SRO Rule Break>> C > CB : 1 1.K77 SRO Rule Break>> C > CG : 1 1.K77 SRO Rule Break>> C > CD : 1 1.K77 SRO Rule Break>> C > CE : 1 1.E78 C = 17.053(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E78 SRO Rule Break>> C > CA : 1 1.E78 SRO Rule Break>> C > CB : 1 1.E78 SRO Rule Break>> C > CG : 1 1.K79 C = 16.434(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K79 SRO Rule Break>> C > CA : 1 1.K79 SRO Rule Break>> C > CB : 1 1.K79 SRO Rule Break>> C > CG : 1 1.K79 SRO Rule Break>> C > CD : 1 1.K79 SRO Rule Break>> C > CE : 1 1.D80 C = 15.886(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D80 SRO Rule Break>> C > CA : 1 1.D80 SRO Rule Break>> C > CB : 1 1.T81 C = 14.221(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T81 SRO Rule Break>> C > CA : 1 1.T81 SRO Rule Break>> C > CB : 1 1.T81 SRO Rule Break>> C > CG2 : 1 1.L82 C = 14.850(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L82 SRO Rule Break>> C > CA : 1 1.L82 SRO Rule Break>> C > CB : 1 1.L82 SRO Rule Break>> C > CG : 1 1.L82 SRO Rule Break>> C > CD1 : 1 1.V83 C = 14.766(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V83 SRO Rule Break>> C > CA : 1 1.V83 SRO Rule Break>> C > CB : 1 1.V83 SRO Rule Break>> C > CG1 : 1 1.L84 C = 15.644(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L84 SRO Rule Break>> C > CA : 1 1.L84 SRO Rule Break>> C > CB : 1 1.L84 SRO Rule Break>> C > CG : 1 1.L84 SRO Rule Break>> C > CD1 : 1 1.L84 SRO Rule Break>> C > CD2 : 1 1.E85 C = 15.910(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E85 SRO Rule Break>> C > CA : 1 1.E85 SRO Rule Break>> C > CB : 1 1.E85 SRO Rule Break>> C > CG : 1 1.Y86 Typing: Mistyped 1.Y86 C = 14.077(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y86 CE1 = 108.838(A), Expected = 117.93, Std = 1.1900, ChiSquare = 2.1666e-14 1.Y86 SRO Rule Break>> C > CA : 1 1.Y86 SRO Rule Break>> C > CB : 1 1.Y86 SRO Rule Break>> C > CD1 : 1 1.Y86 SRO Rule Break>> C > CE1 : 1 1.D87 C = 11.773(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D87 HB3 = 1.438(S), Expected = 2.66, Std = 0.2800, ChiSquare = 1.2754e-05 1.D87 SRO Rule Break>> C > CA : 1 1.D87 SRO Rule Break>> C > CB : 1 1.N88 C = 13.995(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N88 SRO Rule Break>> C > CA : 1 1.N88 SRO Rule Break>> C > CB : 1 1.K89 C = 14.644(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K89 SRO Rule Break>> C > CA : 1 1.K89 SRO Rule Break>> C > CB : 1 1.K89 SRO Rule Break>> C > CG : 1 1.K89 SRO Rule Break>> C > CD : 1 1.K89 SRO Rule Break>> C > CE : 1 1.T90 C = 12.823(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T90 SRO Rule Break>> C > CA : 1 1.T90 SRO Rule Break>> C > CB : 1 1.T90 SRO Rule Break>> C > CG2 : 1 1.Y91 Typing: Suspicious 1.Y91 C = 14.313(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y91 CE1 = 124.353(S), Expected = 117.93, Std = 1.1900, ChiSquare = 6.7584e-08 1.Y91 SRO Rule Break>> C > CA : 1 1.Y91 SRO Rule Break>> C > CB : 1 1.Y91 SRO Rule Break>> C > CD1 : 1 1.Y91 SRO Rule Break>> C > CE1 : 1 1.T92 C = 12.464(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T92 SRO Rule Break>> C > CA : 1 1.T92 SRO Rule Break>> C > CB : 1 1.T92 SRO Rule Break>> C > CG2 : 1 1.Y93 Typing: Suspicious 1.Y93 C = 14.846(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y93 CE1 = 135.823(A), Expected = 117.93, Std = 1.1900, ChiSquare = 4.2569e-51 1.Y93 SRO Rule Break>> C > CA : 1 1.Y93 SRO Rule Break>> C > CB : 1 1.Y93 SRO Rule Break>> C > CD1 : 1 1.Y93 SRO Rule Break>> C > CE1 : 1 1.E94 C = 17.060(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E94 SRO Rule Break>> C > CA : 1 1.E94 SRO Rule Break>> C > CB : 1 1.E94 SRO Rule Break>> C > CG : 1 1.I95 C = 16.261(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I95 SRO Rule Break>> C > CA : 1 1.I95 SRO Rule Break>> C > CB : 1 1.I95 SRO Rule Break>> C > CG1 : 1 1.I95 SRO Rule Break>> C > CG2 : 1 1.Q96 C = 14.674(A), Expected = 176.31, Std = 1.9500, ChiSquare = 0.0000e+00 1.Q96 SRO Rule Break>> C > CA : 1 1.Q96 SRO Rule Break>> C > CB : 1 1.Q96 SRO Rule Break>> C > CG : 1 1.K97 C = 13.200(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K97 SRO Rule Break>> C > CA : 1 1.K97 SRO Rule Break>> C > CB : 1 1.K97 SRO Rule Break>> C > CG : 1 1.I98 Typing: Suspicious 1.I98 C = 15.821(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I98 CD1 = 21.413(S), Expected = 13.43, Std = 1.6700, ChiSquare = 1.7509e-06 1.I98 SRO Rule Break>> C > CA : 1 1.I98 SRO Rule Break>> C > CB : 1 1.I98 SRO Rule Break>> C > CG1 : 1 1.I98 SRO Rule Break>> C > CG2 : 1 1.I98 SRO Rule Break>> C > CD1 : 1 1.W99 C = 10.353(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W99 SRO Rule Break>> C > CA : 1 1.W99 SRO Rule Break>> C > CB : 1 1.W99 SRO Rule Break>> C > CD1 : 1 1.I100 C = 16.258(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I100 SRO Rule Break>> C > CA : 1 1.I100 SRO Rule Break>> C > CB : 1 1.I100 SRO Rule Break>> C > CG1 : 1 1.I100 SRO Rule Break>> C > CG2 : 1 1.T101 C = 12.069(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T101 CG2 = 17.868(S), Expected = 21.55, Std = 1.1100, ChiSquare = 9.0951e-04 1.T101 SRO Rule Break>> C > CA : 1 1.T101 SRO Rule Break>> C > CB : 1 1.T101 SRO Rule Break>> C > CG2 : 1 1.H102 C = 16.781(A), Expected = 175.25, Std = 1.9700, ChiSquare = 0.0000e+00 1.H102 SRO Rule Break>> C > CA : 1 1.H102 SRO Rule Break>> C > CB : 1 1.A103 C = 17.587(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A103 SRO Rule Break>> C > CA : 0.999579478553406 1.A103 SRO Rule Break>> C > CB : 1 1.D104 C = 15.283(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D104 SRO Rule Break>> C > CA : 1 1.D104 SRO Rule Break>> C > CB : 1 1.D105 C = 17.674(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D105 SRO Rule Break>> C > CA : 1 1.D105 SRO Rule Break>> C > CB : 1 1.R106 C = 17.709(A), Expected = 176.41, Std = 2.0300, ChiSquare = 0.0000e+00 1.R106 SRO Rule Break>> C > CA : 1 1.R106 SRO Rule Break>> C > CB : 1 1.R106 SRO Rule Break>> C > CG : 1 1.R106 SRO Rule Break>> C > CD : 1 1.T107 C = 13.548(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T107 SRO Rule Break>> C > CA : 1 1.T107 SRO Rule Break>> C > CB : 1 1.T107 SRO Rule Break>> C > CG2 : 1 1.V108 C = 16.853(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V108 SRO Rule Break>> C > CA : 1 1.V108 SRO Rule Break>> C > CB : 1 1.V108 SRO Rule Break>> C > CG1 : 1 1.V108 SRO Rule Break>> C > CG2 : 1 1.I109 C = 13.191(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I109 SRO Rule Break>> C > CA : 1 1.I109 SRO Rule Break>> C > CB : 1 1.I109 SRO Rule Break>> C > CG1 : 1 1.I109 SRO Rule Break>> C > CG2 : 1 1.I110 C = 14.405(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I110 SRO Rule Break>> C > CA : 1 1.I110 SRO Rule Break>> C > CB : 1 1.I110 SRO Rule Break>> C > CG1 : 1 1.I110 SRO Rule Break>> C > CD1 : 1 1.K111 C = 16.528(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K111 SRO Rule Break>> C > CA : 1 1.K111 SRO Rule Break>> C > CB : 1 1.K111 SRO Rule Break>> C > CG : 1 1.K111 SRO Rule Break>> C > CD : 1 1.K111 SRO Rule Break>> C > CE : 1 1.K112 C = 15.996(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K112 CD = 24.771(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.0501e-04 1.K112 HD2 = 0.576(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.6016e-06 1.K112 HE2 = 2.189(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.1939e-04 1.K112 HE3 = 2.086(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.7887e-05 1.K112 SRO Rule Break>> C > CA : 1 1.K112 SRO Rule Break>> C > CB : 1 1.K112 SRO Rule Break>> C > CG : 1 1.K112 SRO Rule Break>> C > CD : 1 1.K112 SRO Rule Break>> C > CE : 1 1.E113 C = 14.477(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E113 SRO Rule Break>> C > CA : 1 1.E113 SRO Rule Break>> C > CB : 1 1.E113 SRO Rule Break>> C > CG : 1 1.E114 C = 12.378(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E114 SRO Rule Break>> C > CA : 1 1.E114 SRO Rule Break>> C > CB : 1 1.E114 SRO Rule Break>> C > CG : 1 1.I116 C = 12.992(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I116 SRO Rule Break>> C > CA : 1 1.I116 SRO Rule Break>> C > CB : 1 1.I116 SRO Rule Break>> C > CG1 : 1 1.I116 SRO Rule Break>> C > CG2 : 1 1.L117 C = 14.488(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L117 HB3 = 0.098(S), Expected = 1.52, Std = 0.3600, ChiSquare = 7.8151e-05 1.L117 HG = 0.361(S), Expected = 1.51, Std = 0.3300, ChiSquare = 4.9802e-04 1.L117 SRO Rule Break>> C > CA : 1 1.L117 SRO Rule Break>> C > CB : 1 1.L117 SRO Rule Break>> C > CG : 1 1.L117 SRO Rule Break>> C > CD1 : 1 1.T118 C = 13.169(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T118 SRO Rule Break>> C > CA : 1 1.T118 SRO Rule Break>> C > CB : 1 1.T118 SRO Rule Break>> C > CG2 : 1 1.L119 C = 14.404(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L119 CD1 = 18.661(S), Expected = 24.72, Std = 1.5900, ChiSquare = 1.3858e-04 1.L119 SRO Rule Break>> C > CA : 1 1.L119 SRO Rule Break>> C > CB : 1 1.L119 SRO Rule Break>> C > CG : 1 1.L119 SRO Rule Break>> C > CD1 : 1 1.L119 SRO Rule Break>> C > CD2 : 1 1.T120 C = 12.735(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T120 SRO Rule Break>> C > CA : 1 1.T120 SRO Rule Break>> C > CB : 1 1.T120 SRO Rule Break>> C > CG2 : 1 1.T121 C = 14.145(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T121 SRO Rule Break>> C > CA : 1 1.T121 SRO Rule Break>> C > CB : 1 1.T121 SRO Rule Break>> C > CG2 : 1 1.P124 Typing: Mistyped 1.P124 CD = 55.846(S), Expected = 50.32, Std = 0.9900, ChiSquare = 2.3802e-08 1.P124 HA = 1.977(S), Expected = 4.40, Std = 0.3300, ChiSquare = 2.0976e-13 1.F125 C = 16.083(A), Expected = 175.42, Std = 1.9900, ChiSquare = 0.0000e+00 1.F125 SRO Rule Break>> C > CA : 1 1.F125 SRO Rule Break>> C > CB : 1 1.F125 SRO Rule Break>> C > CD1 : 1 1.F125 SRO Rule Break>> C > CE1 : 1 1.D126 C = 15.285(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D126 SRO Rule Break>> C > CA : 1 1.D126 SRO Rule Break>> C > CB : 1 1.Y127 Typing: Suspicious 1.Y127 C = 15.022(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y127 CE1 = 109.619(A), Expected = 117.93, Std = 1.1900, ChiSquare = 2.8682e-12 1.Y127 SRO Rule Break>> C > CA : 1 1.Y127 SRO Rule Break>> C > CB : 1 1.Y127 SRO Rule Break>> C > CD1 : 1 1.Y127 SRO Rule Break>> C > CE1 : 1 1.I128 C = 14.579(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I128 SRO Rule Break>> C > CA : 1 1.I128 SRO Rule Break>> C > CB : 1 1.I128 SRO Rule Break>> C > CG1 : 1 1.I128 SRO Rule Break>> C > CG2 : 1 1.G129 C = 12.992(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G129 SRO Rule Break>> C > CA : 1 1.D130 C = 14.579(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D130 SRO Rule Break>> C > CA : 1 1.D130 SRO Rule Break>> C > CB : 1 1.A131 C = 16.791(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A131 SRO Rule Break>> C > CA : 0.999579478553406 1.A131 SRO Rule Break>> C > CB : 1 1.D133 C = 15.988(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D133 SRO Rule Break>> C > CA : 1 1.D133 SRO Rule Break>> C > CB : 1 1.R134 C = 12.288(A), Expected = 176.41, Std = 2.0300, ChiSquare = 0.0000e+00 1.R134 SRO Rule Break>> C > CA : 1 1.R134 SRO Rule Break>> C > CB : 1 1.Y135 Typing: Mistyped 1.Y135 C = 13.811(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y135 CE1 = 106.548(A), Expected = 117.93, Std = 1.1900, ChiSquare = 1.1252e-21 1.Y135 SRO Rule Break>> C > CA : 1 1.Y135 SRO Rule Break>> C > CB : 1 1.Y135 SRO Rule Break>> C > CD1 : 1 1.Y135 SRO Rule Break>> C > CE1 : 1 1.I136 C = 13.610(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I136 HG21 = -0.200(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2740e-04 1.I136 HG22 = -0.200(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2740e-04 1.I136 HG23 = -0.200(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2740e-04 1.I136 SRO Rule Break>> C > CA : 1 1.I136 SRO Rule Break>> C > CB : 1 1.I136 SRO Rule Break>> C > CG2 : 1 1.I137 C = 13.524(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I137 SRO Rule Break>> C > CA : 1 1.I137 SRO Rule Break>> C > CB : 1 1.I137 SRO Rule Break>> C > CG1 : 1 1.I137 SRO Rule Break>> C > CD1 : 1 1.E138 C = 15.383(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E138 SRO Rule Break>> C > CA : 1 1.E138 SRO Rule Break>> C > CB : 1 1.E138 SRO Rule Break>> C > CG : 1 1.A139 C = 13.789(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A139 H = 10.313(S), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2884e-04 1.A139 SRO Rule Break>> C > CA : 0.999579478553406 1.A139 SRO Rule Break>> C > CB : 1 1.K140 C = 15.807(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K140 SRO Rule Break>> C > CA : 1 1.K140 SRO Rule Break>> C > CB : 1 1.K140 SRO Rule Break>> C > CG : 1 1.K140 SRO Rule Break>> C > CD : 1 1.K140 SRO Rule Break>> C > CE : 1 1.L141 C = 17.236(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L141 SRO Rule Break>> C > CA : 1 1.L141 SRO Rule Break>> C > CB : 1 1.L141 SRO Rule Break>> C > CG : 1 1.L141 SRO Rule Break>> C > CD1 : 1 1.L141 SRO Rule Break>> C > CD2 : 1 1.T142 C = 15.187(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.T142 SRO Rule Break>> C > CA : 1 1.T142 SRO Rule Break>> C > CB : 1 1.T142 SRO Rule Break>> C > CG2 : 1 1.G143 C = 10.713(A), Expected = 173.87, Std = 1.8800, ChiSquare = 0.0000e+00 1.G143 SRO Rule Break>> C > CA : 1 1.S144 C = 13.178(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.S144 SRO Rule Break>> C > CA : 1 1.S144 SRO Rule Break>> C > CB : 1 1.Y145 Typing: Mistyped 1.Y145 C = 14.580(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y145 CE1 = 107.907(A), Expected = 117.93, Std = 1.1900, ChiSquare = 3.6794e-17 1.Y145 SRO Rule Break>> C > CA : 1 1.Y145 SRO Rule Break>> C > CB : 1 1.Y145 SRO Rule Break>> C > CD1 : 1 1.Y145 SRO Rule Break>> C > CE1 : 1 1.K147 C = 18.496(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K147 SRO Rule Break>> C > CA : 1 1.K147 SRO Rule Break>> C > CB : 1