Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.99 C Shift Assignments>> C :: 176.964 CA :: 26.0763(A) CB :: 29.918 CG :: 36.412 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>> HA :: 4.310 HB2 :: 2.061 HB3 :: 2.209 HG2 :: 2.387 HG3 :: 2.257 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) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 M 0.11 K 0.04 Q 0.03 I 0.01 C Shift Assignments>> C :: 175.885 CA :: 55.739 CB :: 30.413 CG :: 36.547 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 :: 8.111 HA :: 4.180 HB2 :: 1.982 HB3 :: 1.992 HG2 :: 2.257 HG3 :: 2.257 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 :: 115.798 Ave N Shift Values>> N :: 120.67(3.48) 1.K3 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 R 0.03 G 0.01 C Shift Assignments>> C :: 175.927 CA :: 55.945 CB :: 33.224 CG :: 57.7077(A) CD :: 30.298 CE :: 42.007 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 :: 7.494 HA :: 5.134 HB2 :: 2.121 HB3 :: 1.870 HG2 :: 1.408 HG3 :: 1.464 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 2.813 HE3 :: 2.516 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 :: 121.692 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 169.399 CA :: 46.917 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.145 HA2 :: 4.827 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.390 Ave N Shift Values>> N :: 109.67(3.87) 1.A5 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.51 C 0.46 L 0.02 C Shift Assignments>> C :: 175.971 CA :: 49.374 CB :: 51.5117(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.992 HA :: 4.836 HB1 :: -0.361(S) HB2 :: -0.361(S) HB3 :: -0.361(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.010 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.Y6 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.632 CA :: 57.065 CB :: 40.748 CD1 :: 35.4699(A) CE1 :: 54.6666(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 :: 9.638 HA :: 5.344 HB2 :: 2.888 HB3 :: 2.758 HD1 :: 6.222 HE1 :: 5.748(S) 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 :: 120.308 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE1 > CA : 1.0000) (CD1 > CB : 1.0000) 1.L7 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.97 G 0.01 C Shift Assignments>> C :: 174.786 CA :: 53.707 CB :: 41.791 CG :: 26.145 CD1 :: 55.3467(A) CD2 :: 55.3807(A) 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 :: 8.108 HA :: 4.829 HB2 :: 1.133 HB3 :: 1.122 HG :: 0.286(S) HD11 :: 0.528 HD12 :: 0.528 HD13 :: 0.528 HD21 :: 0.548 HD22 :: 0.548 HD23 :: 0.548 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 :: 124.924 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) (CB > CD1 : 0.9993) (CB > CD2 : 0.9996) 1.V8 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.632 CA :: 29.0593(A) CB :: 36.555 CG1 :: 53.3277(A) CG2 :: 53.9507(A) 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 :: 8.992 HA :: 4.546 HB :: 1.888 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 127.013 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.F9 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.L53 1.L53 C Shift Assignments>> C :: 173.471 CA :: 56.679 CB :: 42.234 CD1 :: 35.7299(A) CE1 :: 33.4499(A) 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 :: 9.082 HA :: 5.482 HB2 :: 3.110 HB3 :: 2.807 HD1 :: 7.293 HE1 :: 7.107 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 :: 126.516 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE1 > CA : 0.9983) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.D10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.09 L 0.05 HN Overlap>> 1.A152 1.A152 C Shift Assignments>> C :: 174.507 CA :: 52.247 CB :: 47.764(S) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.572 HA :: 4.709 HB2 :: 2.519 HB3 :: 2.581 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 :: 129.489 Ave N Shift Values>> N :: 120.65(3.86) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 D 0.19 Y 0.16 F 0.16 C 0.11 L 0.08 I 0.01 C Shift Assignments>> C :: 175.605 CA :: 55.025 CB :: 39.142 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 :: 8.437 HA :: 4.311 HB2 :: 2.820 HB3 :: 2.820 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 :: 120.992 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A12 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.525 CA :: 53.184 CB :: 51.4877(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.773 HA :: 4.182 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.123 Ave N Shift Values>> N :: 123.23(3.54) 1.S13 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 W 0.14 Q 0.13 E 0.13 C 0.13 H 0.12 R 0.1 I 0.03 M 0.02 C Shift Assignments>> C :: 174.489 CA :: 57.588 CB :: 29.2013(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.072 HA :: 3.849 HB2 :: 3.780 HB3 :: 3.853 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 :: 115.979 Ave N Shift Values>> N :: 116.28(3.52) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.12 D 0.11 Y 0.09 F 0.08 L 0.03 E 0.02 M 0.02 C Shift Assignments>> C :: 173.667 CA :: 53.787 CB :: 38.187 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 :: 8.718 HA :: 4.380 HB2 :: 3.363 HB3 :: 2.906 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 :: 113.135 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.328 CA :: 46.005 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.466 HA2 :: 4.421 HA3 :: 3.729 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.775 Ave N Shift Values>> N :: 109.67(3.87) 1.T16 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.4 R 0.06 L 0.06 C Shift Assignments>> C :: 173.203 CA :: 29.5903(A) CB :: 41.1053(A) CG2 :: 53.3227(A) 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 :: 9.083 HA :: 5.053 HB :: 3.437 HG21 :: 0.331(S) HG22 :: 0.331(S) HG23 :: 0.331(S) 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 :: 123.358 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.L17 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.38 C Shift Assignments>> C :: 175.217 CA :: 52.863 CB :: 45.217 CG :: 26.470 CD1 :: 57.4867(A) CD2 :: 54.7887(A) 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 :: 8.204 HA :: 5.427 HB2 :: 1.312 HB3 :: 1.634 HG :: 1.792 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.586 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) (CB > CD1 : 0.9993) (CB > CD2 : 0.9996) 1.F18 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 G 0.11 HN Overlap>> 1.T83 1.T83 C Shift Assignments>> C :: 175.204 CA :: 56.818 CB :: 43.261 CD1 :: 35.7299(A) CE1 :: 32.4799(A) 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 :: 9.589 HA :: 5.267 HB2 :: 2.854 HB3 :: 2.667 HD1 :: 6.879 HE1 :: 6.892 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 :: 120.755 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE1 > CA : 0.9983) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.I19 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 C 0.02 C Shift Assignments>> C :: 174.542 CA :: 28.6273(A) CB :: 40.782 CG1 :: 29.865 CG2 :: 49.0067(A) CD1 :: 46.0127(A) 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 :: 9.220 HA :: 5.061 HB :: 1.836 HG12 :: 1.558 HG13 :: 0.793 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 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 :: 119.120 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG1 : 0.9988) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) (CG1 > CG2 : 0.9944) (CG1 > CD1 : 0.9935) 1.V20 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.043 CA :: 28.2923(A) CB :: 34.212 CG1 :: 53.9447(A) CG2 :: 54.0627(A) 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 :: 9.578 HA :: 5.205 HB :: 2.143 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 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 :: 128.807 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.W21 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.953 CA :: 56.722 CB :: 27.803 CD1 :: 30.4199(A) CE2 :: 56.4176(A) CE3 :: 56.4666(A) CZ2 :: 50.2406(A) CZ3 :: 56.3396(A) CH2 :: 26.6529(A) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.596 HA :: 5.135 HB2 :: 2.978 HB3 :: 2.218 HD1 :: 7.083 HE1 :: 10.350 HE3 :: 7.073 HZ2 :: 7.412 HZ3 :: 6.620 HH2 :: 6.836 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 :: 132.370 NE1 :: 128.950 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE3 > CA : 1.0000) (CZ2 > CA : 1.0000) (CZ3 > CA : 1.0000) (CH2 > CA : 1.0000) (CH2 > CB : 1.0000) (CD1 > CZ2 : 1.0000) (CH2 > CZ2 : 0.9900) 1.K22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.42 G 0.02 C Shift Assignments>> C :: 175.168 CA :: 54.902 CB :: 39.157(S) CG :: 26.229 CD :: 29.248 CE :: 42.529 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 :: 9.682 HA :: 5.040 HB2 :: 1.730 HB3 :: 2.582 HG2 :: 1.640 HG3 :: 0.877 HD2 :: 1.886 HD3 :: 1.796 HE2 :: 3.042 HE3 :: 2.821 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 :: 126.803 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.29 R 0.26 C Shift Assignments>> C :: 173.703 CA :: 57.334 CB :: 32.244 CG :: 26.762 CD :: 29.663 CE :: 41.804 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 :: 8.911 HA :: 4.216 HB2 :: 1.745 HB3 :: 2.006 HG2 :: 0.634 HG3 :: 1.224 HD2 :: 1.510 HD3 :: 1.775 HE2 :: 2.340 HE3 :: 2.402 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 :: 120.699 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.38 E 0.13 Q 0.04 C Shift Assignments>> C :: 173.274 CA :: 53.979 CB :: 32.718 CG :: 35.472 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 :: 7.313 HA :: 4.604 HB2 :: 1.913 HB3 :: 2.081 HG2 :: 2.084 HG3 :: 2.095 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 :: 114.951 Ave N Shift Values>> N :: 120.67(3.48) 1.K25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 R 0.15 C Shift Assignments>> C :: 176.257 CA :: 57.359 CB :: 33.189 CG :: 29.573(S) CD :: 29.579 CE :: 41.937 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 :: 8.107 HA :: 4.624 HB2 :: 1.886 HB3 :: 2.047 HG2 :: 1.999 HG3 :: 2.005 HD2 :: 1.513 HD3 :: 1.775 HE2 :: 2.930 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 :: 116.787 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V26 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 175.971 CA :: 28.8873(A) CB :: 32.961 CG1 :: 53.3887(A) CG2 :: 54.0177(A) 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>> HA :: 3.779 HB :: 0.997 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.492 HG22 :: 0.492 HG23 :: 0.492 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) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.E27 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.359 CA :: 25.9883(A) CB :: 29.640 CG :: 36.010 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 :: 8.830 HA :: 3.821 HB2 :: 1.868 HB3 :: 1.868 HG2 :: 2.195 HG3 :: 2.195 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 :: 129.457 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.24 E 0.16 M 0.15 Y 0.05 K 0.04 F 0.03 Q 0.02 C Shift Assignments>> C :: 173.494 CA :: 53.587 CB :: 36.159 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 :: 8.615 HA :: 3.520 HB2 :: 3.017 HB3 :: 2.812 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 :: 115.497 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A29 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.811 CA :: 52.229 CB :: 53.4577(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.018 HA :: 4.408 HB1 :: 1.569 HB2 :: 1.569 HB3 :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.093 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.L30 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 G 0.11 C Shift Assignments>> C :: 177.418 CA :: 56.699 CB :: 43.008 CG :: 27.151 CD1 :: 53.7927(A) CD2 :: 55.7867(A) 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 :: 9.063 HA :: 4.337 HB2 :: 1.028 HB3 :: 0.937 HG :: 1.442 HD11 :: 0.072 HD12 :: 0.072 HD13 :: 0.072 HD21 :: 0.067 HD22 :: 0.067 HD23 :: 0.067 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 :: 116.644 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CB > CD1 : 0.9993) (CB > CD2 : 0.9996) 1.M31 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.149 CA :: 54.466 CB :: 41.045(S) CG :: 34.548 CE :: 50.4767(A) 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 :: 7.270 HA :: 5.240 HB2 :: 1.679 HB3 :: 2.363 HG2 :: 2.469 HG3 :: 2.791 HE1 :: 1.980 HE2 :: 1.980 HE3 :: 1.980 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 :: 110.718 Ave N Shift Values>> N :: 120.09(3.57) 1.F32 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.39 C Shift Assignments>> C :: 173.114 CA :: 55.035 CB :: 45.012 CD1 :: 35.8499(A) CE1 :: 35.8499(A) CZ :: 35.7499(A) 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 :: 9.204 HA :: 5.783 HB2 :: 3.096 HB3 :: 2.545 HD1 :: 6.225 HE1 :: 6.852 HZ :: 6.863 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 :: 122.728 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE1 > CA : 0.9983) (CZ > CA : 1.0000) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) (CZ > CB : 1.0000) 1.I33 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.92 C 0.06 R 0.01 C Shift Assignments>> C :: 172.685 CA :: 27.3183(A) CB :: 40.750 CG1 :: 27.959 CG2 :: 50.2277(A) CD1 :: 44.6327(A) 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 :: 9.165 HA :: 4.359 HB :: 1.124 HG12 :: 1.349 HG13 :: 0.184 HG21 :: 0.377 HG22 :: 0.377 HG23 :: 0.377 HD11 :: -0.339(S) HD12 :: -0.339(S) HD13 :: -0.339(S) 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 :: 127.101 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG1 : 0.9988) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) (CG1 > CG2 : 0.9944) (CG1 > CD1 : 0.9935) 1.K34 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 R 0.07 G 0.02 C Shift Assignments>> C :: 174.667 CA :: 51.522 CB :: 34.439 CG :: 57.6977(A) CD :: 29.330 CE :: 42.280 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 :: 8.609 HA :: 4.379 HB2 :: 1.698 HB3 :: 1.712 HG2 :: 1.163 HG3 :: 1.156 HD2 :: 1.595 HD3 :: 1.595 HE2 :: 3.001 HE3 :: 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 :: 127.470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.P35 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> CA :: 31.0843(A) CB :: 33.313 CG :: 28.188 CD :: 51.973 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 :: 4.444 HB2 :: 2.509 HB3 :: 2.322 HG2 :: 1.937 HG3 :: 2.434 HD2 :: 4.141 HD3 :: 4.418 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) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CD : 0.9976) 1.T36 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.28 M 0.13 K 0.01 I 0.01 C Shift Assignments>> C :: 174.450 CA :: 30.6453(A) CB :: 37.5873(A) CG2 :: 53.5557(A) 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 :: 8.651 HA :: 4.403 HB :: 4.383 HG21 :: 1.346 HG22 :: 1.346 HG23 :: 1.346 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 :: 113.263 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.K37 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 R 0.08 G 0.02 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> C :: 175.614 CA :: 54.929 CB :: 34.455 CG :: 56.5427(A) CD :: 29.243 CE :: 42.200 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 :: 7.902 HA :: 4.552 HB2 :: 1.917 HB3 :: 1.749 HG2 :: 1.480 HG3 :: 1.466 HD2 :: 1.746 HD3 :: 1.745 HE2 :: 3.033 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 :: 122.244 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.34 K 0.08 Q 0.06 M 0.05 I 0.05 C Shift Assignments>> C :: 176.509 CA :: 57.537 CB :: 29.886 CG :: 36.121 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 :: 8.399 HA :: 4.177 HB2 :: 1.972 HB3 :: 1.963 HG2 :: 2.343 HG3 :: 2.264 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 :: 120.634 Ave N Shift Values>> N :: 120.67(3.48) 1.V39 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.774 CA :: 26.8523(A) CB :: 33.507 CG1 :: 53.2257(A) CG2 :: 53.2257(A) 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 :: 8.430 HA :: 4.390 HB :: 1.967 HG11 :: 0.545 HG12 :: 0.545 HG13 :: 0.545 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 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 :: 124.404 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.P40 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 K 0.01 C Shift Assignments>> C :: 177.025 CA :: 30.9663(A) CB :: 32.558 CG :: 27.831 CD :: 51.140 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 :: 4.345 HB2 :: 2.288 HB3 :: 1.397 HG2 :: 1.922 HG3 :: 1.775 HD2 :: 3.206 HD3 :: 3.793 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) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CD : 0.9976) 1.E41 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.K140 1.K140 C Shift Assignments>> C :: 178.793 CA :: 26.7823(A) CB :: 29.442 CG :: 35.342 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 :: 8.561 HA :: 4.249 HB2 :: 2.146 HB3 :: 2.056 HG2 :: 2.436 HG3 :: 2.436 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 :: 123.576 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.F42 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.1 C Shift Assignments>> C :: 177.186 CA :: 28.2563(A) CB :: 38.177 CD1 :: 35.9499(A) CE1 :: 35.6499(A) 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 :: 8.141 HA :: 4.362 HB2 :: 3.327 HB3 :: 2.909 HD1 :: 7.188 HE1 :: 7.315 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 :: 115.002 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.K43 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 R 0.31 C Shift Assignments>> C :: 177.686 CA :: 57.653 CB :: 30.237 CG :: 27.625 CD :: 56.5817(A) CE :: 41.467 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 :: 7.202 HA :: 3.519 HB2 :: 0.638(S) HB3 :: 0.027(S) HG2 :: 0.892 HG3 :: 0.545 HD2 :: 0.480(S) HD3 :: 0.212(S) HE2 :: 2.393 HE3 :: 2.269 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 :: 118.348 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CE > CD : 0.9984) 1.F44 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.98 C 0.01 C Shift Assignments>> C :: 176.535 CA :: 27.2083(A) CB :: 39.338 CD1 :: 36.3499(A) CE1 :: 35.9799(A) CZ :: 33.2299(A) 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 :: 7.342 HA :: 4.328 HB2 :: 3.354 HB3 :: 3.057 HD1 :: 7.218 HE1 :: 7.396 HZ :: 7.105 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 :: 112.248 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) (CZ > CB : 1.0000) 1.V45 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 177.614 CA :: 31.9383(A) CB :: 34.201 CG1 :: 53.2887(A) CG2 :: 53.2887(A) 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 :: 7.342 HA :: 4.083 HB :: 2.020 HG11 :: 1.029 HG12 :: 1.029 HG13 :: 1.029 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 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 :: 116.882 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.18 Y 0.15 F 0.11 E 0.09 D 0.06 M 0.04 L 0.02 I 0.01 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> C :: 177.931 CA :: 54.926 CB :: 37.678 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 :: 8.459 HA :: 4.530 HB2 :: 2.569 HB3 :: 2.393 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 :: 121.978 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R47 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.5 L 0.48 K 0.01 C Shift Assignments>> C :: 176.900 CA :: 25.7243(A) CB :: 27.854 CG :: 27.578 CD :: 43.736 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>> HA :: 4.044 HB2 :: 2.084 HB3 :: 1.650 HG2 :: 2.209 HG3 :: 2.080 HD2 :: 3.292 HD3 :: 3.372 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) SRO Rule Breaks>> (CA > CB : 0.9995) (CA > CG : 0.9993) (CA > CD : 1.0000) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.15 Y 0.13 F 0.11 D 0.09 E 0.04 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.810 CA :: 54.578 CB :: 38.058 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 :: 8.375 HA :: 4.373 HB2 :: 2.913 HB3 :: 3.209 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 :: 114.043 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.356 CA :: 45.661 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.853 HA2 :: 4.817 HA3 :: 4.405 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 130.248(S) Ave N Shift Values>> N :: 109.67(3.87) 1.K50 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.489 CA :: 57.126 CB :: 34.631 CG :: 57.7097(A) CD :: 29.371 CE :: 41.014 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 :: 7.600 HA :: 4.919 HB2 :: 1.855 HB3 :: 1.704 HG2 :: 1.033 HG3 :: 1.029 HD2 :: 1.180 HD3 :: 1.183 HE2 :: 2.047(S) HE3 :: 2.044(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 :: 121.459 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.29 R 0.1 K 0.09 N 0.06 C 0.04 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 173.935 CA :: 52.537 CB :: 42.389 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 :: 9.052 HA :: 5.241 HB2 :: 2.727 HB3 :: 3.083 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 :: 122.588 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E52 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.99 C Shift Assignments>> C :: 175.874 CA :: 26.3393(A) CB :: 30.512 CG :: 37.062 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>> HA :: 3.841 HB2 :: 1.882 HB3 :: 2.037 HG2 :: 1.715 HG3 :: 1.809 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) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.L53 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 G 0.35 HN Overlap>> 1.F9 1.F9 C Shift Assignments>> C :: 175.918 CA :: 56.333 CB :: 43.927 CG :: 26.532 CD1 :: 55.7967(A) CD2 :: 55.7037(A) 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 :: 9.176 HA :: 4.588 HB2 :: 1.449 HB3 :: 1.535 HG :: 1.699 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 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 :: 126.525 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CB > CD1 : 0.9993) (CB > CD2 : 0.9996) 1.I54 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 C 0.08 C Shift Assignments>> C :: 171.720 CA :: 27.9213(A) CB :: 40.930 CG1 :: 28.070 CG2 :: 49.4507(A) CD1 :: 46.9057(A) 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 :: 7.225 HA :: 4.636 HB :: 1.973 HG12 :: 1.325 HG13 :: 1.632 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 1.011 HD12 :: 1.011 HD13 :: 1.011 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 :: 114.362 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG1 : 0.9988) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) (CG1 > CG2 : 0.9944) (CG1 > CD1 : 0.9935) 1.R55 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 G 0.3 HN Overlap>> 1.K37 1.K37 C Shift Assignments>> C :: 175.025 CA :: 54.314 CB :: 34.191 CG :: 56.4957(A) CD :: 44.119 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.828 HA :: 5.556 HB2 :: 1.744 HB3 :: 1.922 HG2 :: 1.391 HG3 :: 1.388 HD2 :: 3.275 HD3 :: 3.145 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 :: 122.189 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>> (CA > CG : 0.9993) (CD > CG : 0.9985) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.12 D 0.11 Y 0.1 F 0.09 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.S145 1.S145 C Shift Assignments>> C :: 177.257 CA :: 53.875 CB :: 38.233 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 :: 7.858 HA :: 4.779 HB2 :: 3.355 HB3 :: 2.652 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 :: 116.044 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L57 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 R 0.22 G 0.05 HN Overlap>> 1.D97 1.D97 C Shift Assignments>> C :: 178.472 CA :: 26.0763(A) CB :: 42.747 CG :: 57.7287(A) CD1 :: 26.720 CD2 :: 57.6977(A) 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 :: 8.858 HA :: 3.954 HB2 :: 1.715 HB3 :: 1.542 HG :: 0.931 HD11 :: 0.960 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 119.122 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG : 0.9996) (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) (CB > CG : 0.9976) (CB > CD2 : 0.9996) 1.Q58 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.141 CA :: 25.7463(A) CB :: 28.167 CG :: 34.429 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 :: 9.075 HA :: 4.100 HB2 :: 2.054 HB3 :: 2.147 HG2 :: 2.354 HG3 :: 2.432 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 :: 114.127 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.S59 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 R 0.3 K 0.2 Q 0.08 M 0.02 C Shift Assignments>> C :: 174.442 CA :: 27.7453(A) CB :: 31.9883(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.917 HA :: 4.306 HB2 :: 3.956 HB3 :: 3.969 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 :: 112.939 Ave N Shift Values>> N :: 116.28(3.52) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 K 0.18 F 0.08 R 0.06 Y 0.06 C 0.05 N 0.04 C Shift Assignments>> C :: 175.900 CA :: 54.808 CB :: 41.854 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 :: 7.316 HA :: 4.682 HB2 :: 2.809 HB3 :: 2.807 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 :: 120.484 Ave N Shift Values>> N :: 120.65(3.86) 1.K61 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.43 G 0.01 C Shift Assignments>> C :: 177.629 CA :: 27.6573(A) CB :: 32.434 CG :: 57.4407(A) CD :: 29.485 CE :: 42.216 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 :: 8.800 HA :: 4.069 HB2 :: 1.796 HB3 :: 1.754 HG2 :: 1.542 HG3 :: 1.450 HD2 :: 1.838 HD3 :: 1.839 HE2 :: 3.022 HE3 :: 3.026 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 :: 127.155 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.K62 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.47 G 0.02 C Shift Assignments>> C :: 179.918 CA :: 27.4603(A) CB :: 31.792 CG :: 57.6927(A) CD :: 28.973 CE :: 42.784 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 :: 8.420 HA :: 4.047 HB2 :: 1.903 HB3 :: 2.024 HG2 :: 1.683 HG3 :: 1.621 HD2 :: 1.840 HD3 :: 1.839 HE2 :: 3.141 HE3 :: 3.143 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 :: 116.775 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.L63 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 179.472 CA :: 57.565 CB :: 41.661 CG :: 27.034 CD1 :: 57.5997(A) CD2 :: 54.6087(A) 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 :: 8.031 HA :: 4.143 HB2 :: 1.480 HB3 :: 2.105 HG :: 1.786 HD11 :: 1.088 HD12 :: 1.088 HD13 :: 1.088 HD21 :: 0.960 HD22 :: 0.960 HD23 :: 0.960 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 :: 119.176 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD1 : 0.9996) (CB > CD1 : 0.9993) (CB > CD2 : 0.9996) 1.F64 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 C 0.02 C Shift Assignments>> C :: 176.900 CA :: 30.1533(A) CB :: 38.980 CD1 :: 36.0499(A) CE1 :: 36.1499(A) 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 :: 7.575 HA :: 4.040 HB2 :: 3.082 HB3 :: 3.114 HD1 :: 7.024 HE1 :: 6.976 HE2 :: 6.766 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 :: 119.800 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.Y65 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.865 CA :: 27.3333(A) CB :: 37.180 CD1 :: 36.4799(A) CE1 :: 53.8366(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 :: 7.740 HA :: 4.184 HB2 :: 3.129 HB3 :: 3.129 HD1 :: 6.972 HE1 :: 6.750 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.400 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (CA > CB : 0.9986) (CD1 > CB : 1.0000) 1.S66 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 K 0.36 R 0.05 Q 0.02 P 0.01 C Shift Assignments>> C :: 178.878 CA :: 30.4683(A) CB :: 30.4683(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.362 HA :: 4.104 HB2 :: 4.019 HB3 :: 4.051 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 :: 115.000 Ave N Shift Values>> N :: 116.28(3.52) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.792 CA :: 47.473 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.354 HA2 :: 3.751 HA3 :: 3.520 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.758 Ave N Shift Values>> N :: 109.67(3.87) 1.I68 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 C 0.06 C Shift Assignments>> C :: 178.543 CA :: 32.8733(A) CB :: 36.513 CG1 :: 28.126 CG2 :: 50.5297(A) CD1 :: 45.2557(A) 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 :: 7.606 HA :: 3.556 HB :: 2.258 HG12 :: 1.332 HG13 :: 0.988 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.607 HD12 :: 0.607 HD13 :: 0.607 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 :: 120.425 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) (CG1 > CG2 : 0.9944) (CG1 > CD1 : 0.9935) 1.C69 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 R 0.31 K 0.14 Q 0.08 C Shift Assignments>> C :: 176.543 CA :: 32.3143(A) CB :: 26.674 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.676 HA :: 4.048 HB2 :: 3.552 HB3 :: 2.590 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 :: 117.234 Ave N Shift Values>> N :: 120.17(4.64) 1.Q70 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.490 CA :: 26.9543(A) CB :: 29.132 CG :: 34.281 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 :: 8.080 HA :: 4.018 HB2 :: 2.310 HB3 :: 2.274 HG2 :: 2.533 HG3 :: 2.532 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 :: 117.416 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.F71 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 175.310 CA :: 30.4253(A) CB :: 39.806 CD1 :: 35.7299(A) 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 :: 8.197 HA :: 4.082 HB2 :: 3.020 HB3 :: 3.300 HD1 :: 7.235 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 :: 121.931 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) 1.V72 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 177.489 CA :: 35.1263(A) CB :: 30.764 CG1 :: 55.9507(A) CG2 :: 54.5797(A) 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 :: 8.288 HA :: 3.451 HB :: 2.368 HG11 :: 1.216 HG12 :: 1.216 HG13 :: 1.216 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 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 :: 117.732 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.K73 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.37 G 0.01 HN Overlap>> 1.N46 1.N46 C Shift Assignments>> C :: 177.865 CA :: 28.6243(A) CB :: 31.995 CG :: 57.3817(A) CD :: 29.377 CE :: 42.362 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 :: 8.499 HA :: 3.998 HB2 :: 2.258 HB3 :: 2.021 HG2 :: 1.659 HG3 :: 1.646 HD2 :: 1.772 HD3 :: 1.775 HE2 :: 3.148 HE3 :: 3.153 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 :: 121.895 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.E74 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.668 CA :: 27.4343(A) CB :: 27.783 CG :: 34.931 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 :: 7.486 HA :: 4.069 HB2 :: 1.972 HB3 :: 1.961 HG2 :: 2.313 HG3 :: 2.173 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 :: 118.494 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.A75 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 G 0.03 L 0.01 C Shift Assignments>> C :: 178.758 CA :: 55.099 CB :: 50.1677(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.334 HA :: 3.697 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.926 Ave N Shift Values>> N :: 123.23(3.54) 1.K76 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.45 G 0.01 C Shift Assignments>> C :: 179.990 CA :: 27.4813(A) CB :: 32.261 CG :: 57.2767(A) CD :: 29.194 CE :: 42.365 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 :: 8.363 HA :: 3.791 HB2 :: 1.242 HB3 :: 1.968 HG2 :: 1.578 HG3 :: 1.578 HD2 :: 1.740 HD3 :: 1.743 HE2 :: 3.100 HE3 :: 3.100 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 :: 120.232 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.12 C 0.11 D 0.09 K 0.08 I 0.05 N 0.01 C Shift Assignments>> C :: 178.293 CA :: 57.674 CB :: 40.648 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.628 HA :: 4.409 HB2 :: 2.688 HB3 :: 2.863 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 :: 120.761 Ave N Shift Values>> N :: 120.65(3.86) 1.I78 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 C 0.04 C Shift Assignments>> C :: 175.368 CA :: 28.6013(A) CB :: 38.511 CG1 :: 25.936 CG2 :: 49.4407(A) CD1 :: 46.3587(A) 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 :: 7.476 HA :: 4.522 HB :: 2.228 HG12 :: 1.272 HG13 :: 1.272 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 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 :: 110.668 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) (CG1 > CG2 : 0.9944) (CG1 > CD1 : 0.9935) 1.K79 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 G 0.04 C Shift Assignments>> C :: 176.561 CA :: 57.612 CB :: 29.428 CG :: 57.4697(A) CD :: 57.5667(A) CE :: 42.555 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 :: 7.899 HA :: 3.821 HB2 :: 1.740 HB3 :: 2.038 HG2 :: 1.303 HG3 :: 1.303 HD2 :: 1.142 HD3 :: 1.142 HE2 :: 3.019 HE3 :: 3.017 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 :: 120.983 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CB > CG : 0.9963) (CE > CG : 0.9969) (CE > CD : 0.9984) 1.G80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.41 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 172.256 CA :: 44.314 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.661 HA2 :: 4.459 HA3 :: 3.031 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 131.040(S) Ave N Shift Values>> N :: 109.67(3.87) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.35 R 0.21 C Shift Assignments>> C :: 175.489 CA :: 55.368 CB :: 34.049 CG :: 25.801 CD :: 29.942 CE :: 41.875 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 :: 8.492 HA :: 4.772 HB2 :: 1.560 HB3 :: 1.608 HG2 :: 1.180 HG3 :: 1.352 HD2 :: 1.603 HD3 :: 1.603 HE2 :: 2.822 HE3 :: 2.820 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 :: 118.689 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L82 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 G 0.1 C Shift Assignments>> C :: 175.150 CA :: 53.875 CB :: 47.724 CG :: 27.482 CD1 :: 28.200 CD2 :: 56.6717(A) 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 :: 9.480 HA :: 5.113 HB2 :: 2.031 HB3 :: 1.112 HG :: 1.548 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 1.009 HD22 :: 1.009 HD23 :: 1.009 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 :: 130.074 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD2 : 0.9996) (CB > CD2 : 0.9996) 1.T83 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.04 K 0.03 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.F18 1.F18 C Shift Assignments>> C :: 173.370 CA :: 29.8543(A) CB :: 39.6083(A) CG2 :: 54.1937(A) 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 :: 9.583 HA :: 4.711 HB :: 4.064 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 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 :: 120.764 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 L 0.14 G 0.04 K 0.01 C Shift Assignments>> C :: 174.846 CA :: 56.071 CB :: 42.979 CG :: 28.908 CD1 :: 25.900 CD2 :: 26.470 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 :: 9.976 HA :: 4.571 HB2 :: 1.853 HB3 :: 1.526 HG :: 1.721 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 131.532 Ave N Shift Values>> N :: 121.86(3.9) 1.L85 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 R 0.14 C Shift Assignments>> C :: 178.293 CA :: 54.841 CB :: 41.509 CG :: 27.352 CD1 :: 25.945 CD2 :: 54.3277(A) 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 :: 8.067 HA :: 4.666 HB2 :: 1.809 HB3 :: 1.870 HG :: 1.566 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.978 HD22 :: 0.978 HD23 :: 0.978 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 :: 127.356 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CB > CD2 : 0.9996) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.19 E 0.14 R 0.05 I 0.02 C Shift Assignments>> C :: 175.913 CA :: 56.810 CB :: 27.879 CG :: 34.738 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 :: 8.879 HA :: 4.552 HB2 :: 2.187 HB3 :: 2.185 HG2 :: 2.321 HG3 :: 2.407 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 :: 121.566 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H87 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.64 K 0.29 G 0.05 C Shift Assignments>> C :: 175.949 CA :: 27.8213(A) CB :: 32.064 CE1 :: 42.980(A) 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>> HA :: 4.386 HB2 :: 3.006 HB3 :: 3.333 HE1 :: 7.759 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) SRO Rule Breaks>> (CA > CB : 1.0000) 1.F88 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.98 C 0.01 C Shift Assignments>> C :: 177.114 CA :: 25.8433(A) CB :: 39.112 CD1 :: 35.1949(A) CE1 :: 35.2299(A) 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 :: 7.771 HA :: 4.461 HB2 :: 3.756 HB3 :: 3.753 HD1 :: 7.567 HE1 :: 7.057 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 :: 117.709 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.22 R 0.13 D 0.12 F 0.11 Y 0.08 C 0.05 C Shift Assignments>> C :: 178.865 CA :: 56.511 CB :: 42.188 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 :: 7.248 HA :: 4.559 HB2 :: 2.703 HB3 :: 2.663 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 :: 115.893 Ave N Shift Values>> N :: 120.65(3.86) 1.S90 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 Q 0.21 P 0.12 R 0.11 M 0.08 C Shift Assignments>> C :: 173.649 CA :: 28.8873(A) CB :: 32.4023(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.729 HA :: 4.460 HB2 :: 3.928 HB3 :: 3.929 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 :: 112.736 Ave N Shift Values>> N :: 116.28(3.52) 1.S91 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 P 0.27 R 0.21 K 0.18 M 0.01 I 0.01 C Shift Assignments>> CA :: 27.3943(A) CB :: 33.1933(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.938 HA :: 4.699 HB2 :: 3.686 HB3 :: 3.410 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 :: 114.280 Ave N Shift Values>> N :: 116.28(3.52) 1.F92 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 K 0.25 HN Overlap>> 1.V117 1.V117 C Shift Assignments>> CA :: 57.596 CB :: 41.721 CD1 :: 36.2299(A) 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 :: 7.770 HA :: 4.706 HB2 :: 3.416 HB3 :: 3.721 HD1 :: 7.121 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CD1 > CB : 1.0000) 1.P93 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 176.382 CA :: 33.2913(A) CB :: 32.172 CG :: 27.320 CD :: 50.282 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 :: 4.102 HB2 :: 2.046 HB3 :: 1.489 HG2 :: 1.536 HG3 :: 1.109 HD2 :: 1.446(S) HD3 :: 3.145 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) SRO Rule Breaks>> (HD2 > HG2 : 0.9934) (CA > CD : 0.9976) 1.I94 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.08 R 0.02 C Shift Assignments>> C :: 173.292 CA :: 28.3403(A) CB :: 38.330 CG1 :: 26.404 CG2 :: 50.4997(A) CD1 :: 44.5757(A) 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 :: 6.097 HA :: 4.107 HB :: 1.406 HG12 :: 0.618 HG13 :: 0.954 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.255 HD12 :: 0.255 HD13 :: 0.255 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 :: 117.912 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) (CG1 > CG2 : 0.9944) (CG1 > CD1 : 0.9935) 1.K95 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 R 0.18 G 0.04 C Shift Assignments>> C :: 178.097 CA :: 54.490 CB :: 34.279 CG :: 56.7957(A) CD :: 28.818 CE :: 42.718 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 :: 8.000 HA :: 4.893 HB2 :: 1.756 HB3 :: 1.617 HG2 :: 1.481 HG3 :: 1.491 HD2 :: 1.788 HD3 :: 1.793 HE2 :: 2.938 HE3 :: 2.938 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 :: 122.076 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.V96 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.239 CA :: 26.9543(A) CB :: 36.191 CG1 :: 54.8167(A) CG2 :: 50.7097(A) 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 :: 8.879 HA :: 5.218 HB :: 2.013 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.379 HG22 :: 0.379 HG23 :: 0.379 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 :: 116.838 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 C 0.03 R 0.01 D 0.01 HN Overlap>> 1.L57 1.L57 C Shift Assignments>> C :: 173.786 CA :: 53.811 CB :: 45.292 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 :: 8.860 HA :: 4.878 HB2 :: 2.444 HB3 :: 2.496 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 :: 119.116 Ave N Shift Values>> N :: 120.65(3.86) 1.L98 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.36 R 0.19 HN Overlap>> 1.M138 1.M138 C Shift Assignments>> C :: 175.614 CA :: 55.193 CB :: 44.912 CG :: 30.615(S) CD1 :: 57.5347(A) CD2 :: 27.057 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 :: 8.828 HA :: 4.899 HB2 :: 1.458 HB3 :: 1.152 HG :: 1.621 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 HD21 :: 0.701 HD22 :: 0.701 HD23 :: 0.701 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 :: 122.210 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD1 : 0.9996) (CB > CD1 : 0.9993) 1.Y99 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 G 0.2 C Shift Assignments>> C :: 174.257 CA :: 56.829 CB :: 43.627 CD1 :: 35.9499(A) CE1 :: 54.6666(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 :: 8.522 HA :: 4.873 HB2 :: 2.858 HB3 :: 2.520 HD1 :: 6.657 HE1 :: 6.630 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.595 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE1 > CA : 1.0000) (CD1 > CB : 1.0000) 1.F100 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 G 0.14 C Shift Assignments>> C :: 172.955 CA :: 56.423 CB :: 43.242 CD1 :: 36.1499(A) CE1 :: 36.1499(A) 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 :: 9.477 HA :: 5.358 HB2 :: 3.119 HB3 :: 2.959 HD1 :: 6.937 HE1 :: 6.976 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 :: 120.467 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE1 > CA : 0.9983) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.L101 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.32 C Shift Assignments>> C :: 175.811 CA :: 52.996 CB :: 45.175 CG :: 26.969 CD1 :: 55.2107(A) CD2 :: 55.2427(A) 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 :: 8.200 HA :: 5.038 HB2 :: 1.098 HB3 :: 1.098 HG :: 0.508 HD11 :: 0.331 HD12 :: 0.331 HD13 :: 0.331 HD21 :: 0.333 HD22 :: 0.333 HD23 :: 0.333 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 :: 122.670 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) (CB > CD1 : 0.9993) (CB > CD2 : 0.9996) 1.K102 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 R 0.03 G 0.01 C Shift Assignments>> C :: 176.293 CA :: 55.896 CB :: 34.543 CG :: 57.4007(A) CD :: 29.754 CE :: 42.168 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 :: 8.935 HA :: 4.771 HB2 :: 1.714 HB3 :: 2.005 HG2 :: 1.581 HG3 :: 1.452 HD2 :: 1.593 HD3 :: 1.592 HE2 :: 2.996 HE3 :: 2.992 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 :: 129.152 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 173.820 CA :: 47.630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.649 HA2 :: 4.166 HA3 :: 3.674 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 120.455 Ave N Shift Values>> N :: 109.67(3.87) 1.S104 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 P 0.24 R 0.19 Q 0.06 C Shift Assignments>> C :: 172.999 CA :: 25.7983(A) CB :: 32.5873(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.846 HA :: 4.883 HB2 :: 3.822 HB3 :: 3.927 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 :: 121.328 Ave N Shift Values>> N :: 116.28(3.52) 1.K105 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 R 0.12 G 0.01 C Shift Assignments>> C :: 175.310 CA :: 57.078 CB :: 33.635 CG :: 57.1797(A) CD :: 29.415 CE :: 42.265 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 :: 8.182 HA :: 4.573 HB2 :: 2.084 HB3 :: 2.074 HG2 :: 1.433 HG3 :: 1.417 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 3.000 HE3 :: 3.000 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 :: 122.091 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.V106 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.454 CA :: 30.6363(A) CB :: 31.819 CG1 :: 54.5207(A) CG2 :: 54.4987(A) 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 :: 7.781 HA :: 4.465 HB :: 2.170 HG11 :: 0.835 HG12 :: 0.835 HG13 :: 0.835 HG21 :: 1.274 HG22 :: 1.274 HG23 :: 1.274 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 :: 126.346 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.32 E 0.13 Q 0.1 K 0.01 C Shift Assignments>> C :: 173.239 CA :: 52.488 CB :: 35.281 CG :: 31.530 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 :: 9.762 HA :: 5.356 HB2 :: 2.197 HB3 :: 2.376 HG2 :: 2.688 HG3 :: 2.619 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 :: 128.451 Ave N Shift Values>> N :: 120.09(3.57) 1.P108 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.82 K 0.17 C Shift Assignments>> C :: 175.355 CA :: 30.0513(A) CB :: 32.504 CG :: 27.002 CD :: 51.152 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 :: 4.598 HB2 :: 2.149 HB3 :: 1.829 HG2 :: 2.177 HG3 :: 2.184 HD2 :: 4.003 HD3 :: 4.007 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) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CD : 0.9976) 1.L109 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.42 G 0.08 C Shift Assignments>> C :: 175.454 CA :: 53.709 CB :: 43.345 CG :: 28.306 CD1 :: 56.3497(A) CD2 :: 27.192 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 :: 7.558 HA :: 4.538 HB2 :: 1.777 HB3 :: 0.913 HG :: 0.849 HD11 :: 1.014 HD12 :: 1.014 HD13 :: 1.014 HD21 :: 1.560 HD22 :: 1.560 HD23 :: 1.560 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.960 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD1 : 0.9996) (CB > CD1 : 0.9993) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.25 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.885 CA :: 52.099 CB :: 39.590 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 :: 9.060 HA :: 5.053 HB2 :: 2.808 HB3 :: 2.811 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 :: 125.949 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T111 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.29 E 0.13 C Shift Assignments>> C :: 175.863 CA :: 33.0033(A) CB :: 36.7373(A) CG2 :: 53.5257(A) 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 :: 8.897 HA :: 4.013 HB :: 4.036 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 121.454 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.864 CA :: 46.272 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.267 HA2 :: 4.262 HA3 :: 3.734 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.439 Ave N Shift Values>> N :: 109.67(3.87) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.33 E 0.21 Q 0.07 K 0.01 C Shift Assignments>> C :: 173.560 CA :: 53.139 CB :: 31.470 CG :: 35.737 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 :: 7.716 HA :: 5.059 HB2 :: 2.160 HB3 :: 1.934 HG2 :: 2.306 HG3 :: 2.313 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 :: 121.936 Ave N Shift Values>> N :: 120.67(3.48) 1.P114 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 K 0.02 C Shift Assignments>> C :: 177.061 CA :: 31.2603(A) CB :: 32.434 CG :: 27.435 CD :: 51.071 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 :: 4.776 HB2 :: 2.132 HB3 :: 1.713 HG2 :: 2.080 HG3 :: 2.080 HD2 :: 4.058 HD3 :: 3.810 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) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CD : 0.9976) 1.F115 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 G 0.18 C Shift Assignments>> C :: 175.346 CA :: 56.833 CB :: 43.542 CD1 :: 35.9499(A) CE1 :: 35.7299(A) 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 :: 9.417 HA :: 4.703 HB2 :: 3.069 HB3 :: 2.958 HD1 :: 6.853 HE1 :: 6.217 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 :: 127.118 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CE1 > CA : 0.9983) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.V116 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.828 CA :: 31.6113(A) CB :: 31.204 CG1 :: 53.3147(A) CG2 :: 53.3417(A) 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 :: 8.293 HA :: 3.737 HB :: 1.767 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 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 :: 128.944 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.V117 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.F92 1.F92 C Shift Assignments>> C :: 174.828 CA :: 29.7663(A) CB :: 30.413 CG1 :: 53.6607(A) CG2 :: 54.6787(A) 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 :: 7.812 HA :: 3.785 HB :: 2.021 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 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 :: 125.146 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.11 Q 0.09 M 0.05 I 0.04 C Shift Assignments>> C :: 174.185 CA :: 56.992 CB :: 29.663 CG :: 36.009 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 :: 7.733 HA :: 4.168 HB2 :: 1.950 HB3 :: 1.950 HG2 :: 2.109 HG3 :: 2.112 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 :: 120.367 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.28 N 0.26 L 0.12 F 0.12 Y 0.1 C 0.08 C Shift Assignments>> C :: 175.132 CA :: 54.314 CB :: 39.815 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>> HA :: 4.601 HB2 :: 2.727 HB3 :: 2.729 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) 1.I120 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 G 0.31 C Shift Assignments>> C :: 175.257 CA :: 28.3223(A) CB :: 39.764 CG1 :: 57.5787(A) CG2 :: 51.6477(A) CD1 :: 46.6027(A) 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 :: 7.121 HA :: 4.528 HB :: 2.164 HG12 :: 1.333 HG13 :: 1.328 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 111.483 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG1 : 0.9988) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG1 : 0.9957) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 G 0.11 F 0.06 C 0.06 D 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 176.811 CA :: 56.544 CB :: 43.847 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 :: 9.164 HA :: 5.048 HB2 :: 2.685 HB3 :: 2.382 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 :: 120.518 Ave N Shift Values>> N :: 120.65(3.86) 1.A122 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.472 CA :: 52.000 CB :: 54.2427(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.107 HA :: 5.023 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.743 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.28 E 0.24 Q 0.12 K 0.02 C Shift Assignments>> C :: 173.899 CA :: 54.965 CB :: 35.333 CG :: 31.302 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 :: 9.096 HA :: 5.576 HB2 :: 2.003 HB3 :: 2.096 HG2 :: 2.193 HG3 :: 2.132 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.115 Ave N Shift Values>> N :: 120.09(3.57) 1.S124 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.47 E 0.2 K 0.16 Q 0.11 R 0.03 C Shift Assignments>> C :: 170.881 CA :: 26.4843(A) CB :: 35.7473(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.309 HA :: 5.158 HB2 :: 3.126 HB3 :: 2.910(S) 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 :: 120.498 Ave N Shift Values>> N :: 116.28(3.52) 1.V125 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.024 CA :: 28.1933(A) CB :: 34.016 CG1 :: 54.0877(A) CG2 :: 54.0647(A) 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 :: 4.603 HB :: 1.871 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 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 :: 124.365 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.L126 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.25 R 0.23 C Shift Assignments>> C :: 173.614 CA :: 50.818 CB :: 43.785 CG :: 27.090 CD1 :: 55.7087(A) CD2 :: 25.938 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 :: 8.849 HA :: 4.795 HB2 :: 1.698 HB3 :: 1.544 HG :: 1.477 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 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 :: 123.562 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD1 : 0.9996) (CB > CD1 : 0.9993) 1.P127 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 176.781 CA :: 31.0843(A) CB :: 31.731 CG :: 28.048 CD :: 50.728 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 :: 4.555 HB2 :: 2.502 HB3 :: 1.906 HG2 :: 2.209 HG3 :: 2.216 HD2 :: 3.473 HD3 :: 3.490 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) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CD : 0.9976) 1.K128 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 R 0.27 C Shift Assignments>> C :: 177.918 CA :: 57.457 CB :: 31.328 CG :: 55.5467(A) CD :: 28.407 CE :: 41.605 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 :: 7.590 HA :: 3.840 HB2 :: 1.539 HB3 :: 1.168 HG2 :: 1.477 HG3 :: 1.331 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 2.941 HE3 :: 2.978 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 :: 123.351 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CB > CG : 0.9963) (CE > CG : 0.9969) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.959 CA :: 44.547 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.804 HA2 :: 4.363 HA3 :: 3.690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.849 Ave N Shift Values>> N :: 109.67(3.87) 1.S130 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 P 0.39 K 0.1 Q 0.01 M 0.01 HN Overlap>> 1.S131 1.S131 C Shift Assignments>> C :: 177.552 CA :: 27.3683(A) CB :: 31.1513(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.826 HA :: 4.322 HB2 :: 3.606 HB3 :: 3.606 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 :: 114.970 Ave N Shift Values>> N :: 116.28(3.52) 1.S131 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 R 0.37 K 0.08 Q 0.06 M 0.01 HN Overlap>> 1.S130 1.S130 C Shift Assignments>> CA :: 26.9893(A) CB :: 31.9403(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.917 HA :: 4.520 HB2 :: 4.014 HB3 :: 4.024 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 :: 115.036 Ave N Shift Values>> N :: 116.28(3.52) 1.S132 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 M 0.21 R 0.15 P 0.07 Q 0.04 C Shift Assignments>> C :: 173.828 CA :: 29.5513(A) CB :: 30.9383(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.236 HA :: 3.999 HB2 :: 3.499 HB3 :: 3.620 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 :: 118.503 Ave N Shift Values>> N :: 116.28(3.52) 1.L133 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.310 CA :: 52.983 CB :: 39.693 CG :: 25.903 CD1 :: 26.426 CD2 :: 56.6127(A) 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 :: 7.538 HA :: 4.351 HB2 :: 0.987 HB3 :: 0.006(S) HG :: 0.019(S) HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.513 HD22 :: 0.513 HD23 :: 0.513 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 :: 116.689 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CD2 : 0.9996) (CB > CD2 : 0.9996) 1.K134 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 R 0.13 G 0.02 C Shift Assignments>> C :: 175.936 CA :: 55.456 CB :: 30.237 CG :: 57.2457(A) CD :: 30.091 CE :: 42.258 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 :: 6.956 HA :: 4.459 HB2 :: 1.910 HB3 :: 1.721 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 1.490 HD3 :: 1.490 HE2 :: 3.035 HE3 :: 3.035 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 :: 121.633 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CG : 1.0000) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.V135 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.275 CA :: 27.3063(A) CB :: 34.982 CG1 :: 51.4137(A) CG2 :: 53.7727(A) 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 :: 7.737 HA :: 4.599 HB :: 2.274 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 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 :: 115.176 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.K136 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.41 G 0.01 C Shift Assignments>> CA :: 26.6813(A) CB :: 33.642 CG :: 57.2727(A) CD :: 28.859 CE :: 42.272 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 :: 8.599 HA :: 4.507 HB2 :: 2.013 HB3 :: 2.012 HG2 :: 1.591 HG3 :: 1.685 HD2 :: 1.590 HD3 :: 1.680 HE2 :: 3.116 HE3 :: 3.116 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 :: 119.300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.T137 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.26 K 0.03 I 0.01 C Shift Assignments>> C :: 173.817 CA :: 26.8523(A) CB :: 40.3903(A) CG2 :: 53.4807(A) 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 :: 7.474 HA :: 5.645 HB :: 4.057 HG21 :: 1.144 HG22 :: 1.144 HG23 :: 1.144 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 :: 110.269 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.M138 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.L98 1.L98 C Shift Assignments>> C :: 172.590 CA :: 56.812 CB :: 37.576 CG :: 32.410 CE :: 32.500(S) 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 :: 8.883 HA :: 4.229 HB2 :: 1.533 HB3 :: 2.098 HG2 :: 2.537 HG3 :: 2.534 HE1 :: 2.936 HE2 :: 2.936 HE3 :: 2.936 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 :: 122.165 Ave N Shift Values>> N :: 120.09(3.57) 1.A139 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 179.079 CA :: 51.954 CB :: 51.8777(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.146 HA :: 4.401 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.369 Ave N Shift Values>> N :: 123.23(3.54) 1.K140 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.42 G 0.01 HN Overlap>> 1.E41 1.E41 C Shift Assignments>> C :: 177.371 CA :: 28.4323(A) CB :: 32.345 CG :: 57.1277(A) CD :: 29.829 CE :: 42.323 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 :: 8.589 HA :: 3.739 HB2 :: 1.908 HB3 :: 1.841 HG2 :: 1.381 HG3 :: 1.104 HD2 :: 1.756 HD3 :: 1.760 HE2 :: 3.019 HE3 :: 3.019 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 :: 123.522 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) (CB > CG : 0.9963) (CE > CG : 0.9969) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 C 0.15 D 0.08 I 0.07 L 0.05 N 0.04 C Shift Assignments>> C :: 179.168 CA :: 57.277 CB :: 39.226 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 :: 8.776 HA :: 4.281 HB2 :: 2.667 HB3 :: 2.597 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 :: 115.386 Ave N Shift Values>> N :: 120.65(3.86) 1.M142 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 G 0.02 K 0.01 C Shift Assignments>> C :: 176.614 CA :: 25.7283(A) CB :: 32.786 CG :: 32.167 CE :: 49.7167(A) 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 :: 7.275 HA :: 4.268 HB2 :: 2.080 HB3 :: 2.177 HG2 :: 2.688 HG3 :: 2.690 HE1 :: 2.031 HE2 :: 2.031 HE3 :: 2.031 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 :: 121.248 Ave N Shift Values>> N :: 120.09(3.57) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CE : 1.0000) 1.F143 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> C :: 177.311 CA :: 30.0563(A) CB :: 40.167 CD1 :: 35.9499(A) CE1 :: 35.9499(A) 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 :: 8.411 HA :: 4.023 HB2 :: 3.272 HB3 :: 2.690 HD1 :: 6.960 HE1 :: 6.960 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 :: 122.759 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) 1.V144 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.918 CA :: 33.4203(A) CB :: 32.154 CG1 :: 54.7847(A) CG2 :: 53.1237(A) 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 :: 8.660 HA :: 3.676 HB :: 2.123 HG11 :: 1.078 HG12 :: 1.078 HG13 :: 1.078 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 118.047 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) (CB > CG1 : 0.9987) (CB > CG2 : 0.9995) 1.S145 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 M 0.2 R 0.17 P 0.07 Q 0.03 HN Overlap>> 1.N56 1.N56 C Shift Assignments>> C :: 176.962 CA :: 29.4833(A) CB :: 30.8833(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.962 HA :: 4.260 HB2 :: 4.009 HB3 :: 3.987 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 :: 116.029 Ave N Shift Values>> N :: 116.28(3.52) 1.R146 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 K 0.12 C Shift Assignments>> C :: 179.561 CA :: 27.2183(A) CB :: 29.183 CG :: 27.527 CD :: 43.065 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 :: 8.596 HA :: 3.994 HB2 :: 1.459 HB3 :: 1.756 HG2 :: 1.654 HG3 :: 1.656 HD2 :: 3.078 HD3 :: 3.078 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 :: 121.751 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>> (CA > CB : 0.9995) (CA > CG : 0.9993) (CA > CD : 1.0000) 1.G147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.221 CA :: 46.869 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.697 HA2 :: 3.682 HA3 :: 3.430 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 130.264(S) Ave N Shift Values>> N :: 109.67(3.87) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.19 N 0.18 D 0.15 C 0.14 L 0.06 I 0.02 E 0.01 C Shift Assignments>> C :: 177.007 CA :: 55.612 CB :: 38.939 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 :: 8.194 HA :: 4.373 HB2 :: 2.836 HB3 :: 2.839 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 :: 117.588 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T149 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.14 E 0.05 C Shift Assignments>> C :: 175.811 CA :: 33.8963(A) CB :: 37.2353(A) CG2 :: 53.5697(A) 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 :: 7.909 HA :: 4.050 HB :: 4.197 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 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 :: 113.468 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.24 M 0.17 C Shift Assignments>> C :: 176.150 CA :: 57.539 CB :: 32.714 CG :: 36.779 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 :: 7.515 HA :: 4.364 HB2 :: 1.831 HB3 :: 2.022 HG2 :: 2.220 HG3 :: 2.338 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 :: 118.735 Ave N Shift Values>> N :: 120.67(3.48) 1.G151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 173.256 CA :: 46.401 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.984 HA2 :: 4.075 HA3 :: 3.963 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.134 Ave N Shift Values>> N :: 109.67(3.87) 1.A152 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 174.507 CA :: 52.801 CB :: 55.9607(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.585 HA :: 4.659 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.498 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.S153 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 C 0.23 M 0.16 K 0.09 Q 0.08 Y 0.05 F 0.02 N 0.01 I 0.01 H 0.01 C Shift Assignments>> C :: 173.024 CA :: 56.358 CB :: 35.5363(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.438 HA :: 5.383 HB2 :: 3.785 HB3 :: 3.627 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 :: 113.448 Ave N Shift Values>> N :: 116.28(3.52) 1.I154 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.96 C 0.02 C Shift Assignments>> C :: 172.363 CA :: 28.2223(A) CB :: 41.760 CG1 :: 27.597 CG2 :: 48.2857(A) CD1 :: 46.8197(A) 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 :: 8.793 HA :: 4.528 HB :: 1.586 HG12 :: 0.521 HG13 :: 1.385 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 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 :: 118.995 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) (CB > CG2 : 0.9989) (CB > CD1 : 0.9970) (CG1 > CG2 : 0.9944) (CG1 > CD1 : 0.9935) 1.S155 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.17 C 0.17 Q 0.14 R 0.08 H 0.07 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 172.828 CA :: 56.950 CB :: 32.9743(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.155 HA :: 4.629 HB2 :: 3.793 HB3 :: 3.760 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 :: 119.839 Ave N Shift Values>> N :: 116.28(3.52) 1.F156 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> C :: 180.579 CA :: 27.1153(A) CB :: 41.114 CD1 :: 35.9499(A) CE1 :: 34.2299(A) 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 :: 7.939 HA :: 4.693 HB2 :: 3.453 HB3 :: 2.786 HD1 :: 7.134 HE1 :: 7.024 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 :: 128.310 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CE1 > CB : 0.9982) ########################################################################### Overall Results: #Consistent: 35 #Clerical: 0 #Suspicious: 6 #Anomalous: 6 #Mistyped: 109 #Indeterminable: 0 Typing Results: #Consistent: 41 #Suspicious: 6 #Mistyped: 109 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 60 #Suspicious: 96 C Shift Results: #Consistent: 462 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 225 H Shift Results: #Consistent:1066 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 Error Summary: 1.E1 Typing: Mistyped 1.E1 CA = 26.0763(A), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5778e-50 1.E1 SRO Rule Break>> CA > CB : 1 1.E1 SRO Rule Break>> CA > CG : 1 1.K3 Typing: Mistyped 1.K3 CG = 57.7077(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K3 SRO Rule Break>> CA > CG : 1 1.K3 SRO Rule Break>> CB > CG : 0.996318453750575 1.K3 SRO Rule Break>> CE > CG : 0.996856993190152 1.A5 Typing: Mistyped 1.A5 CB = 51.5117(A), Expected = 19.01, Std = 1.8300, ChiSquare = 1.4298e-70 1.A5 HB1 = -0.361(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.6802e-11 1.A5 HB2 = -0.361(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.6802e-11 1.A5 HB3 = -0.361(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.6802e-11 1.A5 SRO Rule Break>> CA > CB : 0.999452804377565 1.Y6 Typing: Mistyped 1.Y6 CD1 = 35.4699(A), Expected = 132.77, Std = 1.1700, ChiSquare = 0.0000e+00 1.Y6 CE1 = 54.6666(A), Expected = 117.93, Std = 1.1900, ChiSquare = 0.0000e+00 1.Y6 HE1 = 5.748(S), Expected = 6.70, Std = 0.2300, ChiSquare = 3.4862e-05 1.Y6 SRO Rule Break>> CD1 > CA : 1 1.Y6 SRO Rule Break>> CE1 > CA : 1 1.Y6 SRO Rule Break>> CD1 > CB : 1 1.L7 Typing: Mistyped 1.L7 CD1 = 55.3467(A), Expected = 24.72, Std = 1.5900, ChiSquare = 1.1181e-82 1.L7 CD2 = 55.3807(A), Expected = 24.05, Std = 1.7000, ChiSquare = 7.5730e-76 1.L7 HG = 0.286(S), Expected = 1.51, Std = 0.3300, ChiSquare = 2.0800e-04 1.L7 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L7 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.L7 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.L7 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.V8 Typing: Mistyped 1.V8 CA = 29.0593(A), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4499e-31 1.V8 CG1 = 53.3277(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V8 CG2 = 53.9507(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V8 SRO Rule Break>> CA > CB : 0.999680511182109 1.V8 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V8 SRO Rule Break>> CA > CG2 : 1 1.V8 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V8 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.F9 Typing: Mistyped 1.F9 CD1 = 35.7299(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F9 CE1 = 33.4499(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F9 SRO Rule Break>> CD1 > CA : 1 1.F9 SRO Rule Break>> CE1 > CA : 0.998257839721254 1.F9 SRO Rule Break>> CD1 > CB : 1 1.F9 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.D10 CB = 47.764(S), Expected = 40.88, Std = 1.6200, ChiSquare = 2.1436e-05 1.A12 Typing: Mistyped 1.A12 CB = 51.4877(A), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8059e-70 1.S13 Typing: Mistyped 1.S13 CB = 29.2013(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.T16 Typing: Mistyped 1.T16 CA = 29.5903(A), Expected = 62.22, Std = 2.5900, ChiSquare = 2.1564e-36 1.T16 CB = 41.1053(A), Expected = 69.73, Std = 1.6300, ChiSquare = 4.8861e-69 1.T16 CG2 = 53.3227(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T16 HG21 = 0.331(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.3581e-04 1.T16 HG22 = 0.331(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.3581e-04 1.T16 HG23 = 0.331(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.3581e-04 1.T16 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T16 SRO Rule Break>> CB > CG2 : 1 1.L17 Typing: Mistyped 1.L17 CD1 = 57.4867(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L17 CD2 = 54.7887(A), Expected = 24.05, Std = 1.7000, ChiSquare = 4.4508e-73 1.L17 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L17 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.L17 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.L17 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.F18 Typing: Mistyped 1.F18 CD1 = 35.7299(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F18 CE1 = 32.4799(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F18 SRO Rule Break>> CD1 > CA : 1 1.F18 SRO Rule Break>> CE1 > CA : 0.998257839721254 1.F18 SRO Rule Break>> CD1 > CB : 1 1.F18 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.I19 Typing: Mistyped 1.I19 CA = 28.6273(A), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3076e-35 1.I19 CG2 = 49.0067(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I19 CD1 = 46.0127(A), Expected = 13.43, Std = 1.6700, ChiSquare = 8.9231e-85 1.I19 SRO Rule Break>> CA > CB : 1 1.I19 SRO Rule Break>> CA > CG1 : 0.998759305210918 1.I19 SRO Rule Break>> CA > CG2 : 1 1.I19 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I19 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I19 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.I19 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.I19 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 1.V20 Typing: Mistyped 1.V20 CA = 28.2923(A), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9509e-33 1.V20 CG1 = 53.9447(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V20 CG2 = 54.0627(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V20 SRO Rule Break>> CA > CB : 0.999680511182109 1.V20 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V20 SRO Rule Break>> CA > CG2 : 1 1.V20 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V20 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.W21 Typing: Mistyped 1.W21 CD1 = 30.4199(A), Expected = 126.51, Std = 1.8300, ChiSquare = 0.0000e+00 1.W21 CE2 = 56.4176(A), Expected = 138.31, Std = 6.9800, ChiSquare = 8.6921e-32 1.W21 CE3 = 56.4666(A), Expected = 120.43, Std = 1.7900, ChiSquare = 0.0000e+00 1.W21 CZ2 = 50.2406(A), Expected = 114.26, Std = 1.1200, ChiSquare = 0.0000e+00 1.W21 CZ3 = 56.3396(A), Expected = 121.35, Std = 1.5300, ChiSquare = 0.0000e+00 1.W21 CH2 = 26.6529(A), Expected = 123.86, Std = 1.4200, ChiSquare = 0.0000e+00 1.W21 SRO Rule Break>> CD1 > CA : 1 1.W21 SRO Rule Break>> CE3 > CA : 1 1.W21 SRO Rule Break>> CZ2 > CA : 1 1.W21 SRO Rule Break>> CZ3 > CA : 1 1.W21 SRO Rule Break>> CH2 > CA : 1 1.W21 SRO Rule Break>> CH2 > CB : 1 1.W21 SRO Rule Break>> CD1 > CZ2 : 1 1.W21 SRO Rule Break>> CH2 > CZ2 : 0.990049751243781 1.K22 CB = 39.157(S), Expected = 32.79, Std = 1.7800, ChiSquare = 3.4760e-04 1.K25 CG = 29.573(S), Expected = 24.89, Std = 1.1300, ChiSquare = 3.4093e-05 1.V26 Typing: Mistyped 1.V26 CA = 28.8873(A), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1294e-32 1.V26 CG1 = 53.3887(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V26 CG2 = 54.0177(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V26 SRO Rule Break>> CA > CB : 0.999680511182109 1.V26 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V26 SRO Rule Break>> CA > CG2 : 1 1.V26 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V26 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.E27 Typing: Mistyped 1.E27 CA = 25.9883(A), Expected = 57.32, Std = 2.0900, ChiSquare = 8.3769e-51 1.E27 SRO Rule Break>> CA > CB : 1 1.E27 SRO Rule Break>> CA > CG : 1 1.A29 Typing: Mistyped 1.A29 CB = 53.4577(A), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8128e-79 1.A29 SRO Rule Break>> CA > CB : 0.999452804377565 1.L30 Typing: Mistyped 1.L30 CD1 = 53.7927(A), Expected = 24.72, Std = 1.5900, ChiSquare = 1.0953e-74 1.L30 CD2 = 55.7867(A), Expected = 24.05, Std = 1.7000, ChiSquare = 8.9081e-78 1.L30 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.L30 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.M31 Typing: Mistyped 1.M31 CB = 41.045(S), Expected = 32.99, Std = 2.2400, ChiSquare = 3.2317e-04 1.M31 CE = 50.4767(A), Expected = 17.07, Std = 1.5800, ChiSquare = 0.0000e+00 1.F32 Typing: Mistyped 1.F32 CD1 = 35.8499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F32 CE1 = 35.8499(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F32 CZ = 35.7499(A), Expected = 129.21, Std = 1.4300, ChiSquare = 0.0000e+00 1.F32 SRO Rule Break>> CD1 > CA : 1 1.F32 SRO Rule Break>> CE1 > CA : 0.998257839721254 1.F32 SRO Rule Break>> CZ > CA : 1 1.F32 SRO Rule Break>> CD1 > CB : 1 1.F32 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.F32 SRO Rule Break>> CZ > CB : 1 1.I33 Typing: Mistyped 1.I33 CA = 27.3183(A), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7393e-37 1.I33 CG2 = 50.2277(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I33 CD1 = 44.6327(A), Expected = 13.43, Std = 1.6700, ChiSquare = 6.6505e-78 1.I33 HD11 = -0.339(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4176e-04 1.I33 HD12 = -0.339(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4176e-04 1.I33 HD13 = -0.339(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4176e-04 1.I33 SRO Rule Break>> CA > CB : 1 1.I33 SRO Rule Break>> CA > CG1 : 0.998759305210918 1.I33 SRO Rule Break>> CA > CG2 : 1 1.I33 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I33 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I33 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.I33 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.I33 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 1.K34 Typing: Mistyped 1.K34 CG = 57.6977(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K34 SRO Rule Break>> CA > CG : 1 1.K34 SRO Rule Break>> CB > CG : 0.996318453750575 1.K34 SRO Rule Break>> CE > CG : 0.996856993190152 1.P35 Typing: Mistyped 1.P35 CA = 31.0843(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 1.P35 SRO Rule Break>> CA > CB : 0.998920669185105 1.P35 SRO Rule Break>> CA > CD : 0.997572815533981 1.T36 Typing: Mistyped 1.T36 CA = 30.6453(A), Expected = 62.22, Std = 2.5900, ChiSquare = 3.4712e-34 1.T36 CB = 37.5873(A), Expected = 69.73, Std = 1.6300, ChiSquare = 1.4682e-86 1.T36 CG2 = 53.5557(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T36 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T36 SRO Rule Break>> CB > CG2 : 1 1.K37 Typing: Mistyped 1.K37 CG = 56.5427(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K37 SRO Rule Break>> CA > CG : 1 1.K37 SRO Rule Break>> CB > CG : 0.996318453750575 1.K37 SRO Rule Break>> CE > CG : 0.996856993190152 1.V39 Typing: Mistyped 1.V39 CA = 26.8523(A), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2224e-35 1.V39 CG1 = 53.2257(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V39 CG2 = 53.2257(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V39 SRO Rule Break>> CA > CB : 0.999680511182109 1.V39 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V39 SRO Rule Break>> CA > CG2 : 1 1.V39 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V39 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.P40 Typing: Mistyped 1.P40 CA = 30.9663(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 1.P40 SRO Rule Break>> CA > CB : 0.998920669185105 1.P40 SRO Rule Break>> CA > CD : 0.997572815533981 1.E41 Typing: Mistyped 1.E41 CA = 26.7823(A), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3780e-48 1.E41 SRO Rule Break>> CA > CB : 1 1.E41 SRO Rule Break>> CA > CG : 1 1.F42 Typing: Mistyped 1.F42 CA = 28.2563(A), Expected = 58.08, Std = 2.5700, ChiSquare = 3.9073e-31 1.F42 CD1 = 35.9499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F42 CE1 = 35.6499(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F42 SRO Rule Break>> CA > CB : 0.999434389140271 1.F42 SRO Rule Break>> CD1 > CB : 1 1.F42 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.K43 Typing: Mistyped 1.K43 CD = 56.5817(A), Expected = 28.96, Std = 1.0800, ChiSquare = 0.0000e+00 1.K43 HB2 = 0.638(S), Expected = 1.78, Std = 0.2500, ChiSquare = 4.9240e-06 1.K43 HB3 = 0.027(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.2323e-10 1.K43 HD2 = 0.480(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.8011e-07 1.K43 HD3 = 0.212(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.8068e-10 1.K43 SRO Rule Break>> CE > CD : 0.998389694041868 1.F44 Typing: Mistyped 1.F44 CA = 27.2083(A), Expected = 58.08, Std = 2.5700, ChiSquare = 3.0608e-33 1.F44 CD1 = 36.3499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F44 CE1 = 35.9799(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F44 CZ = 33.2299(A), Expected = 129.21, Std = 1.4300, ChiSquare = 0.0000e+00 1.F44 SRO Rule Break>> CA > CB : 0.999434389140271 1.F44 SRO Rule Break>> CD1 > CB : 1 1.F44 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.F44 SRO Rule Break>> CZ > CB : 1 1.V45 Typing: Mistyped 1.V45 CA = 31.9383(A), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2303e-26 1.V45 CG1 = 53.2887(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V45 CG2 = 53.2887(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V45 SRO Rule Break>> CA > CB : 0.999680511182109 1.V45 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V45 SRO Rule Break>> CA > CG2 : 1 1.V45 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V45 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.R47 Typing: Mistyped 1.R47 CA = 25.7243(A), Expected = 56.77, Std = 2.3100, ChiSquare = 3.5388e-41 1.R47 SRO Rule Break>> CA > CB : 0.99954954954955 1.R47 SRO Rule Break>> CA > CG : 0.999257609502598 1.R47 SRO Rule Break>> CA > CD : 1 1.G49 N = 130.248(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0531e-07 1.K50 Typing: Mistyped 1.K50 CG = 57.7097(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K50 HE2 = 2.047(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.3330e-06 1.K50 HE3 = 2.044(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.4911e-05 1.K50 SRO Rule Break>> CA > CG : 1 1.K50 SRO Rule Break>> CB > CG : 0.996318453750575 1.K50 SRO Rule Break>> CE > CG : 0.996856993190152 1.E52 Typing: Mistyped 1.E52 CA = 26.3393(A), Expected = 57.32, Std = 2.0900, ChiSquare = 1.0357e-49 1.E52 SRO Rule Break>> CA > CB : 1 1.E52 SRO Rule Break>> CA > CG : 1 1.L53 Typing: Mistyped 1.L53 CD1 = 55.7967(A), Expected = 24.72, Std = 1.5900, ChiSquare = 4.5415e-85 1.L53 CD2 = 55.7037(A), Expected = 24.05, Std = 1.7000, ChiSquare = 2.2194e-77 1.L53 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.L53 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.I54 Typing: Mistyped 1.I54 CA = 27.9213(A), Expected = 61.61, Std = 2.6800, ChiSquare = 3.0713e-36 1.I54 CG2 = 49.4507(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I54 CD1 = 46.9057(A), Expected = 13.43, Std = 1.6700, ChiSquare = 0.0000e+00 1.I54 SRO Rule Break>> CA > CB : 1 1.I54 SRO Rule Break>> CA > CG1 : 0.998759305210918 1.I54 SRO Rule Break>> CA > CG2 : 1 1.I54 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I54 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I54 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.I54 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.I54 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 1.R55 Typing: Mistyped 1.R55 CG = 56.4957(A), Expected = 27.21, Std = 1.2000, ChiSquare = 0.0000e+00 1.R55 SRO Rule Break>> CA > CG : 0.999257609502598 1.R55 SRO Rule Break>> CD > CG : 0.998466257668712 1.L57 Typing: Mistyped 1.L57 CA = 26.0763(A), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5899e-44 1.L57 CG = 57.7287(A), Expected = 26.78, Std = 1.1000, ChiSquare = 0.0000e+00 1.L57 CD2 = 57.6977(A), Expected = 24.05, Std = 1.7000, ChiSquare = 3.4366e-87 1.L57 SRO Rule Break>> CA > CB : 0.999742135121196 1.L57 SRO Rule Break>> CA > CG : 0.99959595959596 1.L57 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L57 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.L57 SRO Rule Break>> CB > CG : 0.997556008146639 1.L57 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.Q58 Typing: Mistyped 1.Q58 CA = 25.7463(A), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9118e-47 1.Q58 SRO Rule Break>> CA > CB : 1 1.Q58 SRO Rule Break>> CA > CG : 1 1.S59 Typing: Mistyped 1.S59 CA = 27.7453(A), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2692e-50 1.S59 CB = 31.9883(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.K61 Typing: Suspicious 1.K61 CA = 27.6573(A), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8972e-40 1.K61 CG = 57.4407(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K61 SRO Rule Break>> CA > CB : 1 1.K61 SRO Rule Break>> CA > CG : 1 1.K61 SRO Rule Break>> CA > CD : 0.999509563511525 1.K61 SRO Rule Break>> CA > CE : 0.999493414387031 1.K61 SRO Rule Break>> CB > CG : 0.996318453750575 1.K61 SRO Rule Break>> CE > CG : 0.996856993190152 1.K62 Typing: Suspicious 1.K62 CA = 27.4603(A), Expected = 56.95, Std = 2.2000, ChiSquare = 5.6975e-41 1.K62 CG = 57.6927(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K62 SRO Rule Break>> CA > CB : 1 1.K62 SRO Rule Break>> CA > CG : 1 1.K62 SRO Rule Break>> CA > CD : 0.999509563511525 1.K62 SRO Rule Break>> CA > CE : 0.999493414387031 1.K62 SRO Rule Break>> CB > CG : 0.996318453750575 1.K62 SRO Rule Break>> CE > CG : 0.996856993190152 1.L63 Typing: Mistyped 1.L63 CD1 = 57.5997(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L63 CD2 = 54.6087(A), Expected = 24.05, Std = 1.7000, ChiSquare = 3.0200e-72 1.L63 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L63 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.L63 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.F64 Typing: Mistyped 1.F64 CA = 30.1533(A), Expected = 58.08, Std = 2.5700, ChiSquare = 1.6661e-27 1.F64 CD1 = 36.0499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F64 CE1 = 36.1499(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F64 SRO Rule Break>> CA > CB : 0.999434389140271 1.F64 SRO Rule Break>> CD1 > CB : 1 1.F64 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.Y65 Typing: Mistyped 1.Y65 CA = 27.3333(A), Expected = 58.13, Std = 2.5100, ChiSquare = 1.3190e-34 1.Y65 CD1 = 36.4799(A), Expected = 132.77, Std = 1.1700, ChiSquare = 0.0000e+00 1.Y65 CE1 = 53.8366(A), Expected = 117.93, Std = 1.1900, ChiSquare = 0.0000e+00 1.Y65 SRO Rule Break>> CA > CB : 0.998620689655172 1.Y65 SRO Rule Break>> CD1 > CB : 1 1.S66 Typing: Mistyped 1.S66 CA = 30.4683(A), Expected = 58.72, Std = 2.0700, ChiSquare = 2.0703e-42 1.S66 CB = 30.4683(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.I68 Typing: Mistyped 1.I68 CA = 32.8733(A), Expected = 61.61, Std = 2.6800, ChiSquare = 7.9688e-27 1.I68 CG2 = 50.5297(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I68 CD1 = 45.2557(A), Expected = 13.43, Std = 1.6700, ChiSquare = 5.7143e-81 1.I68 SRO Rule Break>> CA > CB : 1 1.I68 SRO Rule Break>> CA > CG2 : 1 1.I68 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I68 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I68 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.I68 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.I68 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 1.C69 Typing: Mistyped 1.C69 CA = 32.3143(A), Expected = 58.30, Std = 3.3300, ChiSquare = 6.0207e-15 1.Q70 Typing: Mistyped 1.Q70 CA = 26.9543(A), Expected = 56.57, Std = 2.1400, ChiSquare = 1.4802e-43 1.Q70 SRO Rule Break>> CA > CB : 1 1.Q70 SRO Rule Break>> CA > CG : 1 1.F71 Typing: Mistyped 1.F71 CA = 30.4253(A), Expected = 58.08, Std = 2.5700, ChiSquare = 5.2834e-27 1.F71 CD1 = 35.7299(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F71 SRO Rule Break>> CA > CB : 0.999434389140271 1.F71 SRO Rule Break>> CD1 > CB : 1 1.V72 Typing: Mistyped 1.V72 CA = 35.1263(A), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0928e-21 1.V72 CG1 = 55.9507(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V72 CG2 = 54.5797(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V72 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V72 SRO Rule Break>> CA > CG2 : 1 1.V72 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V72 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.K73 Typing: Suspicious 1.K73 CA = 28.6243(A), Expected = 56.95, Std = 2.2000, ChiSquare = 6.1983e-38 1.K73 CG = 57.3817(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K73 SRO Rule Break>> CA > CB : 1 1.K73 SRO Rule Break>> CA > CG : 1 1.K73 SRO Rule Break>> CA > CD : 0.999509563511525 1.K73 SRO Rule Break>> CA > CE : 0.999493414387031 1.K73 SRO Rule Break>> CB > CG : 0.996318453750575 1.K73 SRO Rule Break>> CE > CG : 0.996856993190152 1.E74 Typing: Mistyped 1.E74 CA = 27.4343(A), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2077e-46 1.E74 SRO Rule Break>> CA > CB : 1 1.E74 SRO Rule Break>> CA > CG : 1 1.A75 Typing: Mistyped 1.A75 CB = 50.1677(A), Expected = 19.01, Std = 1.8300, ChiSquare = 5.2626e-65 1.K76 Typing: Suspicious 1.K76 CA = 27.4813(A), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4795e-41 1.K76 CG = 57.2767(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K76 SRO Rule Break>> CA > CB : 1 1.K76 SRO Rule Break>> CA > CG : 1 1.K76 SRO Rule Break>> CA > CD : 0.999509563511525 1.K76 SRO Rule Break>> CA > CE : 0.999493414387031 1.K76 SRO Rule Break>> CB > CG : 0.996318453750575 1.K76 SRO Rule Break>> CE > CG : 0.996856993190152 1.I78 Typing: Mistyped 1.I78 CA = 28.6013(A), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3666e-35 1.I78 CG2 = 49.4407(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I78 CD1 = 46.3587(A), Expected = 13.43, Std = 1.6700, ChiSquare = 1.5173e-86 1.I78 SRO Rule Break>> CA > CB : 1 1.I78 SRO Rule Break>> CA > CG2 : 1 1.I78 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I78 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I78 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.I78 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.I78 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 1.K79 Typing: Mistyped 1.K79 CG = 57.4697(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K79 CD = 57.5667(A), Expected = 28.96, Std = 1.0800, ChiSquare = 0.0000e+00 1.K79 SRO Rule Break>> CB > CG : 0.996318453750575 1.K79 SRO Rule Break>> CE > CG : 0.996856993190152 1.K79 SRO Rule Break>> CE > CD : 0.998389694041868 1.G80 N = 131.040(S), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3523e-08 1.L82 Typing: Mistyped 1.L82 CD2 = 56.6717(A), Expected = 24.05, Std = 1.7000, ChiSquare = 4.5529e-82 1.L82 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.L82 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.T83 Typing: Mistyped 1.T83 CA = 29.8543(A), Expected = 62.22, Std = 2.5900, ChiSquare = 7.8100e-36 1.T83 CB = 39.6083(A), Expected = 69.73, Std = 1.6300, ChiSquare = 3.0157e-76 1.T83 CG2 = 54.1937(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T83 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T83 SRO Rule Break>> CB > CG2 : 1 1.L85 Typing: Mistyped 1.L85 CD2 = 54.3277(A), Expected = 24.05, Std = 1.7000, ChiSquare = 5.8677e-71 1.L85 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.H87 Typing: Mistyped 1.H87 CA = 27.8213(A), Expected = 56.52, Std = 2.3100, ChiSquare = 1.9441e-35 1.H87 CE1 = 42.980(A), Expected = 137.71, Std = 2.1200, ChiSquare = 0.0000e+00 1.H87 SRO Rule Break>> CA > CB : 1 1.F88 Typing: Mistyped 1.F88 CA = 25.8433(A), Expected = 58.08, Std = 2.5700, ChiSquare = 4.3171e-36 1.F88 CD1 = 35.1949(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F88 CE1 = 35.2299(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F88 SRO Rule Break>> CA > CB : 0.999434389140271 1.F88 SRO Rule Break>> CD1 > CB : 1 1.F88 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.S90 Typing: Mistyped 1.S90 CA = 28.8873(A), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3536e-47 1.S90 CB = 32.4023(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.S91 Typing: Mistyped 1.S91 CA = 27.3943(A), Expected = 58.72, Std = 2.0700, ChiSquare = 9.7838e-52 1.S91 CB = 33.1933(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.F92 Typing: Mistyped 1.F92 CD1 = 36.2299(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F92 SRO Rule Break>> CD1 > CA : 1 1.F92 SRO Rule Break>> CD1 > CB : 1 1.P93 Typing: Mistyped 1.P93 CA = 33.2913(A), Expected = 63.33, Std = 1.5200, ChiSquare = 6.2870e-87 1.P93 HD2 = 1.446(S), Expected = 3.65, Std = 0.3500, ChiSquare = 3.0318e-10 1.P93 SRO Rule Break>> HD2 > HG2 : 0.993449781659389 1.P93 SRO Rule Break>> CA > CD : 0.997572815533981 1.I94 Typing: Mistyped 1.I94 CA = 28.3403(A), Expected = 61.61, Std = 2.6800, ChiSquare = 2.1923e-35 1.I94 CG2 = 50.4997(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I94 CD1 = 44.5757(A), Expected = 13.43, Std = 1.6700, ChiSquare = 1.2599e-77 1.I94 SRO Rule Break>> CA > CB : 1 1.I94 SRO Rule Break>> CA > CG2 : 1 1.I94 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I94 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I94 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.I94 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.I94 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 1.K95 Typing: Mistyped 1.K95 CG = 56.7957(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K95 SRO Rule Break>> CA > CG : 1 1.K95 SRO Rule Break>> CB > CG : 0.996318453750575 1.K95 SRO Rule Break>> CE > CG : 0.996856993190152 1.V96 Typing: Mistyped 1.V96 CA = 26.9543(A), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9106e-35 1.V96 CG1 = 54.8167(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V96 CG2 = 50.7097(A), Expected = 21.26, Std = 1.5600, ChiSquare = 1.7297e-79 1.V96 SRO Rule Break>> CA > CB : 0.999680511182109 1.V96 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V96 SRO Rule Break>> CA > CG2 : 1 1.V96 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V96 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.L98 Typing: Mistyped 1.L98 CG = 30.615(S), Expected = 26.78, Std = 1.1000, ChiSquare = 4.8963e-04 1.L98 CD1 = 57.5347(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L98 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L98 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.Y99 Typing: Mistyped 1.Y99 CD1 = 35.9499(A), Expected = 132.77, Std = 1.1700, ChiSquare = 0.0000e+00 1.Y99 CE1 = 54.6666(A), Expected = 117.93, Std = 1.1900, ChiSquare = 0.0000e+00 1.Y99 SRO Rule Break>> CD1 > CA : 1 1.Y99 SRO Rule Break>> CE1 > CA : 1 1.Y99 SRO Rule Break>> CD1 > CB : 1 1.F100 Typing: Mistyped 1.F100 CD1 = 36.1499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F100 CE1 = 36.1499(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F100 SRO Rule Break>> CD1 > CA : 1 1.F100 SRO Rule Break>> CE1 > CA : 0.998257839721254 1.F100 SRO Rule Break>> CD1 > CB : 1 1.F100 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.L101 Typing: Mistyped 1.L101 CD1 = 55.2107(A), Expected = 24.72, Std = 1.5900, ChiSquare = 5.8121e-82 1.L101 CD2 = 55.2427(A), Expected = 24.05, Std = 1.7000, ChiSquare = 3.3843e-75 1.L101 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L101 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.L101 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.L101 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.K102 Typing: Mistyped 1.K102 CG = 57.4007(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K102 SRO Rule Break>> CA > CG : 1 1.K102 SRO Rule Break>> CB > CG : 0.996318453750575 1.K102 SRO Rule Break>> CE > CG : 0.996856993190152 1.S104 Typing: Mistyped 1.S104 CA = 25.7983(A), Expected = 58.72, Std = 2.0700, ChiSquare = 5.9253e-57 1.S104 CB = 32.5873(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.K105 Typing: Mistyped 1.K105 CG = 57.1797(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K105 SRO Rule Break>> CA > CG : 1 1.K105 SRO Rule Break>> CB > CG : 0.996318453750575 1.K105 SRO Rule Break>> CE > CG : 0.996856993190152 1.V106 Typing: Mistyped 1.V106 CA = 30.6363(A), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2255e-29 1.V106 CG1 = 54.5207(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V106 CG2 = 54.4987(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V106 SRO Rule Break>> CA > CB : 0.999680511182109 1.V106 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V106 SRO Rule Break>> CA > CG2 : 1 1.V106 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V106 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.P108 Typing: Mistyped 1.P108 CA = 30.0513(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 1.P108 SRO Rule Break>> CA > CB : 0.998920669185105 1.P108 SRO Rule Break>> CA > CD : 0.997572815533981 1.L109 Typing: Mistyped 1.L109 CD1 = 56.3497(A), Expected = 24.72, Std = 1.5900, ChiSquare = 4.6890e-88 1.L109 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L109 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.T111 Typing: Mistyped 1.T111 CA = 33.0033(A), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6366e-29 1.T111 CB = 36.7373(A), Expected = 69.73, Std = 1.6300, ChiSquare = 0.0000e+00 1.T111 CG2 = 53.5257(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T111 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T111 SRO Rule Break>> CB > CG2 : 1 1.P114 Typing: Mistyped 1.P114 CA = 31.2603(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 1.P114 SRO Rule Break>> CA > CB : 0.998920669185105 1.P114 SRO Rule Break>> CA > CD : 0.997572815533981 1.F115 Typing: Mistyped 1.F115 CD1 = 35.9499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F115 CE1 = 35.7299(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F115 SRO Rule Break>> CD1 > CA : 1 1.F115 SRO Rule Break>> CE1 > CA : 0.998257839721254 1.F115 SRO Rule Break>> CD1 > CB : 1 1.F115 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.V116 Typing: Mistyped 1.V116 CA = 31.6113(A), Expected = 62.49, Std = 2.8600, ChiSquare = 3.5661e-27 1.V116 CG1 = 53.3147(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V116 CG2 = 53.3417(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V116 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V116 SRO Rule Break>> CA > CG2 : 1 1.V116 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V116 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.V117 Typing: Mistyped 1.V117 CA = 29.7663(A), Expected = 62.49, Std = 2.8600, ChiSquare = 2.5831e-30 1.V117 CG1 = 53.6607(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V117 CG2 = 54.6787(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V117 SRO Rule Break>> CA > CB : 0.999680511182109 1.V117 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V117 SRO Rule Break>> CA > CG2 : 1 1.V117 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V117 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.I120 Typing: Mistyped 1.I120 CA = 28.3223(A), Expected = 61.61, Std = 2.6800, ChiSquare = 2.0158e-35 1.I120 CG1 = 57.5787(A), Expected = 27.71, Std = 1.6800, ChiSquare = 1.0282e-70 1.I120 CG2 = 51.6477(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I120 CD1 = 46.6027(A), Expected = 13.43, Std = 1.6700, ChiSquare = 8.3576e-88 1.I120 SRO Rule Break>> CA > CB : 1 1.I120 SRO Rule Break>> CA > CG1 : 0.998759305210918 1.I120 SRO Rule Break>> CA > CG2 : 1 1.I120 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I120 SRO Rule Break>> CB > CG1 : 0.995660260384377 1.I120 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I120 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.A122 Typing: Mistyped 1.A122 CB = 54.2427(A), Expected = 19.01, Std = 1.8300, ChiSquare = 1.3363e-82 1.A122 SRO Rule Break>> CA > CB : 0.999452804377565 1.S124 Typing: Mistyped 1.S124 CA = 26.4843(A), Expected = 58.72, Std = 2.0700, ChiSquare = 1.1142e-54 1.S124 CB = 35.7473(A), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0518e-80 1.S124 HB3 = 2.910(S), Expected = 3.85, Std = 0.2700, ChiSquare = 4.9865e-04 1.V125 Typing: Mistyped 1.V125 CA = 28.1933(A), Expected = 62.49, Std = 2.8600, ChiSquare = 3.9204e-33 1.V125 CG1 = 54.0877(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V125 CG2 = 54.0647(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V125 SRO Rule Break>> CA > CB : 0.999680511182109 1.V125 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V125 SRO Rule Break>> CA > CG2 : 1 1.V125 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V125 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.L126 Typing: Mistyped 1.L126 CD1 = 55.7087(A), Expected = 24.72, Std = 1.5900, ChiSquare = 1.3414e-84 1.L126 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L126 SRO Rule Break>> CB > CD1 : 0.999257884972171 1.P127 Typing: Mistyped 1.P127 CA = 31.0843(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 1.P127 SRO Rule Break>> CA > CB : 0.998920669185105 1.P127 SRO Rule Break>> CA > CD : 0.997572815533981 1.K128 Typing: Mistyped 1.K128 CG = 55.5467(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K128 SRO Rule Break>> CB > CG : 0.996318453750575 1.K128 SRO Rule Break>> CE > CG : 0.996856993190152 1.S130 Typing: Mistyped 1.S130 CA = 27.3683(A), Expected = 58.72, Std = 2.0700, ChiSquare = 8.0829e-52 1.S130 CB = 31.1513(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.S131 Typing: Mistyped 1.S131 CA = 26.9893(A), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9067e-53 1.S131 CB = 31.9403(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.S132 Typing: Mistyped 1.S132 CA = 29.5513(A), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3044e-45 1.S132 CB = 30.9383(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.L133 Typing: Mistyped 1.L133 CD2 = 56.6127(A), Expected = 24.05, Std = 1.7000, ChiSquare = 8.8724e-82 1.L133 HB3 = 0.006(S), Expected = 1.52, Std = 0.3600, ChiSquare = 2.6044e-05 1.L133 HG = 0.019(S), Expected = 1.51, Std = 0.3300, ChiSquare = 6.2373e-06 1.L133 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.L133 SRO Rule Break>> CB > CD2 : 0.999613750482812 1.K134 Typing: Mistyped 1.K134 CG = 57.2457(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K134 SRO Rule Break>> CA > CG : 1 1.K134 SRO Rule Break>> CB > CG : 0.996318453750575 1.K134 SRO Rule Break>> CE > CG : 0.996856993190152 1.V135 Typing: Mistyped 1.V135 CA = 27.3063(A), Expected = 62.49, Std = 2.8600, ChiSquare = 8.8366e-35 1.V135 CG1 = 51.4137(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V135 CG2 = 53.7727(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V135 SRO Rule Break>> CA > CB : 0.999680511182109 1.V135 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V135 SRO Rule Break>> CA > CG2 : 1 1.V135 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V135 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.K136 Typing: Suspicious 1.K136 CA = 26.6813(A), Expected = 56.95, Std = 2.2000, ChiSquare = 4.5282e-43 1.K136 CG = 57.2727(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K136 SRO Rule Break>> CA > CB : 1 1.K136 SRO Rule Break>> CA > CG : 1 1.K136 SRO Rule Break>> CA > CD : 0.999509563511525 1.K136 SRO Rule Break>> CA > CE : 0.999493414387031 1.K136 SRO Rule Break>> CB > CG : 0.996318453750575 1.K136 SRO Rule Break>> CE > CG : 0.996856993190152 1.T137 Typing: Mistyped 1.T137 CA = 26.8523(A), Expected = 62.22, Std = 2.5900, ChiSquare = 1.8724e-42 1.T137 CB = 40.3903(A), Expected = 69.73, Std = 1.6300, ChiSquare = 1.9547e-72 1.T137 CG2 = 53.4807(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T137 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T137 SRO Rule Break>> CB > CG2 : 1 1.M138 Typing: Mistyped 1.M138 CE = 32.500(S), Expected = 17.07, Std = 1.5800, ChiSquare = 1.5783e-22 1.A139 Typing: Mistyped 1.A139 CB = 51.8777(A), Expected = 19.01, Std = 1.8300, ChiSquare = 3.9727e-72 1.K140 Typing: Suspicious 1.K140 CA = 28.4323(A), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9940e-38 1.K140 CG = 57.1277(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K140 SRO Rule Break>> CA > CB : 1 1.K140 SRO Rule Break>> CA > CG : 1 1.K140 SRO Rule Break>> CA > CD : 0.999509563511525 1.K140 SRO Rule Break>> CA > CE : 0.999493414387031 1.K140 SRO Rule Break>> CB > CG : 0.996318453750575 1.K140 SRO Rule Break>> CE > CG : 0.996856993190152 1.M142 Typing: Mistyped 1.M142 CA = 25.7283(A), Expected = 56.11, Std = 2.2300, ChiSquare = 2.8801e-42 1.M142 CE = 49.7167(A), Expected = 17.07, Std = 1.5800, ChiSquare = 0.0000e+00 1.M142 SRO Rule Break>> CA > CB : 1 1.M142 SRO Rule Break>> CA > CG : 1 1.M142 SRO Rule Break>> CA > CE : 1 1.F143 Typing: Mistyped 1.F143 CA = 30.0563(A), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1010e-27 1.F143 CD1 = 35.9499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F143 CE1 = 35.9499(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F143 SRO Rule Break>> CA > CB : 0.999434389140271 1.F143 SRO Rule Break>> CD1 > CB : 1 1.F143 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.V144 Typing: Mistyped 1.V144 CA = 33.4203(A), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8637e-24 1.V144 CG1 = 54.7847(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V144 CG2 = 53.1237(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V144 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V144 SRO Rule Break>> CA > CG2 : 1 1.V144 SRO Rule Break>> CB > CG1 : 0.998683055311677 1.V144 SRO Rule Break>> CB > CG2 : 0.999532710280374 1.S145 Typing: Mistyped 1.S145 CA = 29.4833(A), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7017e-45 1.S145 CB = 30.8833(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.R146 Typing: Mistyped 1.R146 CA = 27.2183(A), Expected = 56.77, Std = 2.3100, ChiSquare = 1.7954e-37 1.R146 SRO Rule Break>> CA > CB : 0.99954954954955 1.R146 SRO Rule Break>> CA > CG : 0.999257609502598 1.R146 SRO Rule Break>> CA > CD : 1 1.G147 N = 130.264(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0295e-07 1.T149 Typing: Mistyped 1.T149 CA = 33.8963(A), Expected = 62.22, Std = 2.5900, ChiSquare = 7.7725e-28 1.T149 CB = 37.2353(A), Expected = 69.73, Std = 1.6300, ChiSquare = 2.0070e-88 1.T149 CG2 = 53.5697(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T149 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T149 SRO Rule Break>> CB > CG2 : 1 1.A152 Typing: Mistyped 1.A152 CB = 55.9607(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 1.A152 SRO Rule Break>> CA > CB : 0.999452804377565 1.S153 Typing: Mistyped 1.S153 CB = 35.5363(A), Expected = 63.80, Std = 1.4800, ChiSquare = 2.6693e-81 1.I154 Typing: Mistyped 1.I154 CA = 28.2223(A), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2635e-35 1.I154 CG2 = 48.2857(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I154 CD1 = 46.8197(A), Expected = 13.43, Std = 1.6700, ChiSquare = 6.2321e-89 1.I154 SRO Rule Break>> CA > CB : 1 1.I154 SRO Rule Break>> CA > CG2 : 1 1.I154 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.I154 SRO Rule Break>> CB > CG2 : 0.998860398860399 1.I154 SRO Rule Break>> CB > CD1 : 0.997048406139315 1.I154 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.I154 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 1.S155 Typing: Mistyped 1.S155 CB = 32.9743(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 1.F156 Typing: Mistyped 1.F156 CA = 27.1153(A), Expected = 58.08, Std = 2.5700, ChiSquare = 1.9746e-33 1.F156 CD1 = 35.9499(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F156 CE1 = 34.2299(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F156 SRO Rule Break>> CA > CB : 0.999434389140271 1.F156 SRO Rule Break>> CD1 > CB : 1 1.F156 SRO Rule Break>> CE1 > CB : 0.998242530755712