Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.27 D 0.19 K 0.18 R 0.12 F 0.08 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 175.780 CA :: 55.078 CB :: 42.245 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 :: 4.735 HB2 :: 2.443 HB3 :: 2.690 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.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.11 C 0.1 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 173.262 CA :: 52.661 CB :: 38.285 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.994 HA :: 4.847 HB2 :: 2.846 HB3 :: 2.886 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 :: 116.251 Ave N Shift Values>> N :: 120.17(4.64) 1.P4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 176.227 CA :: 65.976 CB :: 32.127 CG :: 27.461 CD :: 49.837 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 :: 3.965 HB2 :: 1.369 HB3 :: 2.252 HG2 :: 0.848(S) HG3 :: 1.442 HD2 :: 1.675(S) HD3 :: 3.127 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.168 CA :: 57.179 CB :: 65.819 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.957 HA :: 4.741 HB2 :: 4.112 HB3 :: 4.348 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 :: 106.471 Ave N Shift Values>> N :: 116.28(3.52) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.478 CA :: 60.648 CB :: 63.329 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.513 HB2 :: 4.044 HB3 :: 4.219 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) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.148 CA :: 63.876 CB :: 69.184 CG2 :: 22.840 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 :: 8.192 HA :: 4.289 HB :: 4.104 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.026 Ave N Shift Values>> N :: 115.42(4.75) 1.W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.38 C Shift Assignments>> C :: 175.787 CA :: 57.449 CB :: 30.213 CD1 :: 128.279 CE3 :: 120.596 CZ2 :: 114.620 CZ3 :: 124.085 CH2 :: 124.891 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 :: 7.586 HA :: 4.878 HB2 :: 3.288 HB3 :: 3.288 HD1 :: 7.731 HE1 :: 10.572 HE3 :: 7.202 HZ2 :: 7.528 HZ3 :: 6.847 HH2 :: 7.276 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.434 NE1 :: 132.468 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 175.357 CA :: 60.657 CB :: 41.224 CG1 :: 27.920 CG2 :: 18.294 CD1 :: 13.277 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 :: 9.896 HA :: 4.636 HB :: 2.041 HG12 :: 1.358 HG13 :: 1.762 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 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 :: 121.995 Ave N Shift Values>> N :: 121.46(4.28) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 M 0.24 C 0.24 K 0.11 E 0.1 C Shift Assignments>> C :: 175.394 CA :: 55.570 CB :: 30.690 CG :: 34.111 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 :: 8.981 HA :: 5.350 HB2 :: 2.152 HB3 :: 2.152 HG2 :: 2.278 HG3 :: 2.388 HE21 :: 7.279 HE22 :: 7.199 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 129.042 NE2 :: 111.242 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 174.041 CA :: 58.795 CB :: 40.986 CD1 :: 132.005 CD2 :: 132.005 CE1 :: 130.486 CE2 :: 130.486 CZ :: 129.160 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 :: 8.808 HA :: 4.264 HB2 :: 1.887 HB3 :: 2.240 HD1 :: 6.859 HD2 :: 6.859 HE1 :: 7.033 HE2 :: 7.033 HZ :: 6.947 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 :: 126.138 Ave N Shift Values>> N :: 120.45(4.18) 1.Q12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.37 Q 0.09 R 0.09 C Shift Assignments>> C :: 174.822 CA :: 57.850 CB :: 25.571 CG :: 33.497 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 :: 8.556 HA :: 3.329 HB2 :: 1.758 HB3 :: 1.758 HG2 :: 1.044(S) HG3 :: 1.541 HE21 :: 7.011 HE22 :: 6.710 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 :: 124.691 NE2 :: 110.037 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.32 L 0.19 N 0.14 F 0.11 Y 0.09 C 0.06 K 0.05 C Shift Assignments>> C :: 175.421 CA :: 54.490 CB :: 40.685 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 :: 4.723 HB2 :: 2.828 HB3 :: 2.828 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.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 S 0.34 C Shift Assignments>> C :: 171.212 CA :: 58.721 CB :: 67.244 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.220 HA :: 5.192 HB2 :: 3.431 HB3 :: 3.840 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 :: 114.624 Ave N Shift Values>> N :: 116.28(3.52) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.14 C 0.14 C Shift Assignments>> C :: 173.321 CA :: 55.458 CB :: 47.172 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.805 HA :: 5.698 HB2 :: 2.866 HB3 :: 3.038 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 :: 118.624 Ave N Shift Values>> N :: 120.17(4.64) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.23 G 0.04 C Shift Assignments>> C :: 174.745 CA :: 57.230 CB :: 42.649 CD1 :: 133.285 CD2 :: 133.285 CE1 :: 118.214 CE2 :: 118.214 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 :: 10.066 HA :: 5.756 HB2 :: 3.134 HB3 :: 3.291 HD1 :: 7.326 HD2 :: 7.326 HE1 :: 7.034 HE2 :: 7.034 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.000 Ave N Shift Values>> N :: 120.52(4.2) 1.I17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 I 0.35 C Shift Assignments>> C :: 170.492 CA :: 59.991 CB :: 40.928 CG1 :: 28.364 CG2 :: 15.098 CD1 :: 12.672 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 :: 8.516 HA :: 4.420 HB :: 0.050(S) HG12 :: 0.145 HG13 :: 0.910 HG21 :: -0.469(S) HG22 :: -0.469(S) HG23 :: -0.469(S) HD11 :: -0.289(S) HD12 :: -0.289(S) HD13 :: -0.289(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 :: 119.904 Ave N Shift Values>> N :: 121.46(4.28) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.24 C 0.21 C Shift Assignments>> C :: 174.166 CA :: 54.687 CB :: 39.038 CD1 :: 131.088 CD2 :: 131.088 CZ :: 128.890 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 :: 7.147 HA :: 5.515 HB2 :: 2.250 HB3 :: 2.782 HD1 :: 6.716 HD2 :: 6.716 HZ :: 6.984 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 :: 126.863 Ave N Shift Values>> N :: 120.45(4.18) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.28 A 0.22 R 0.07 G 0.01 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> C :: 176.032 CA :: 53.567 CB :: 42.115 CG :: 26.018 CD1 :: 22.406 CD2 :: 26.667 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 :: 8.720 HA :: 4.134 HB2 :: 1.145 HB3 :: 1.517 HG :: 1.144 HD11 :: 0.212 HD12 :: 0.212 HD13 :: 0.212 HD21 :: 0.417 HD22 :: 0.417 HD23 :: 0.417 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.128 Ave N Shift Values>> N :: 121.86(3.9) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.23 K 0.19 E 0.18 M 0.09 C Shift Assignments>> C :: 174.833 CA :: 55.383 CB :: 29.760 CG :: 34.667 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 :: 8.468 HA :: 4.232 HB2 :: 1.772 HB3 :: 2.057 HG2 :: 1.973 HG3 :: 2.053 HE21 :: 7.572 HE22 :: 6.919 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 :: 124.006 NE2 :: 112.159 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.21 Q 0.05 K 0.02 C Shift Assignments>> C :: 175.147 CA :: 55.828 CB :: 31.123 CG :: 36.119 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 :: 7.714 HA :: 4.264 HB2 :: 1.777 HB3 :: 1.890 HG2 :: 2.141 HG3 :: 2.141 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 :: 121.368 Ave N Shift Values>> N :: 120.67(3.48) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 C Shift Assignments>> C :: 177.213 CA :: 51.935 CB :: 18.311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.378 HA :: 4.595 HB1 :: 1.311 HB2 :: 1.311 HB3 :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.771 Ave N Shift Values>> N :: 123.23(3.54) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 HN Overlap>> 1.V104 1.V104 C Shift Assignments>> C :: 174.982 CA :: 59.898 CB :: 41.268 CG1 :: 26.438 CG2 :: 17.608 CD1 :: 13.693 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 :: 7.900 HA :: 4.400 HB :: 1.731 HG12 :: 0.961 HG13 :: 1.335 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.718 HD12 :: 0.718 HD13 :: 0.718 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 :: 119.500 Ave N Shift Values>> N :: 121.46(4.28) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.36 R 0.17 G 0.01 HN Overlap>> 1.M72 1.M72 C Shift Assignments>> C :: 175.823 CA :: 56.234 CB :: 32.462 CG :: 24.708 CD :: 29.024 CE :: 42.349 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 :: 8.277 HA :: 4.459 HB2 :: 1.788 HB3 :: 1.739 HG2 :: 1.346 HG3 :: 1.473 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.992 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 :: 124.975 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 175.083 CA :: 60.786 CB :: 34.834 CG1 :: 22.410 CG2 :: 20.016 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 :: 8.133 HA :: 4.444 HB :: 2.073 HG11 :: 0.801 HG12 :: 0.801 HG13 :: 0.801 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.130 Ave N Shift Values>> N :: 121.14(4.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.34 M 0.19 Q 0.01 C Shift Assignments>> C :: 176.201 CA :: 56.474 CB :: 31.698 CG :: 36.786 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.345 HA :: 4.593 HB2 :: 2.206 HB3 :: 1.992 HG2 :: 2.224 HG3 :: 2.224 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 :: 121.800 Ave N Shift Values>> N :: 120.67(3.48) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 175.060 CA :: 57.025 CB :: 66.534 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.060 HA :: 4.868 HB2 :: 3.973 HB3 :: 4.269 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 :: 113.336 Ave N Shift Values>> N :: 116.28(3.52) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.515 CA :: 63.272 CB :: 37.883 CG1 :: 29.512 CG2 :: 17.622 CD1 :: 14.269 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 :: 9.236 HA :: 4.081 HB :: 2.106 HG12 :: 1.672 HG13 :: 1.755 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 HD11 :: 1.273 HD12 :: 1.273 HD13 :: 1.273 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 :: 122.140 Ave N Shift Values>> N :: 121.46(4.28) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.35 E 0.23 K 0.03 C Shift Assignments>> C :: 178.160 CA :: 60.222 CB :: 28.913 CG :: 36.839 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 :: 8.352 HA :: 3.784 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 2.253 HG3 :: 2.309 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.311 Ave N Shift Values>> N :: 120.67(3.48) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.17 Y 0.13 D 0.09 C 0.07 R 0.06 I 0.02 C Shift Assignments>> C :: 178.867 CA :: 57.423 CB :: 41.683 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 :: 7.665 HA :: 4.453 HB2 :: 2.881 HB3 :: 3.028 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.532 Ave N Shift Values>> N :: 120.65(3.86) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 177.803 CA :: 65.884 CB :: 31.644 CG1 :: 23.032 CG2 :: 22.693 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 :: 7.266 HA :: 3.664 HB :: 2.391 HG11 :: 1.025 HG12 :: 1.025 HG13 :: 1.025 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.697 Ave N Shift Values>> N :: 121.14(4.54) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.37 G 0.07 K 0.02 C Shift Assignments>> C :: 179.170 CA :: 60.660 CB :: 29.402 CG :: 27.569 CD :: 43.134 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 :: 8.242 HA :: 4.201 HB2 :: 1.599 HB3 :: 1.599 HG2 :: 1.205 HG3 :: 1.490 HD2 :: 2.661 HD3 :: 3.564 HE :: 8.961 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.980 NE :: 87.213 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.15 Y 0.15 F 0.12 D 0.1 E 0.04 L 0.03 M 0.02 I 0.01 HN Overlap>> 1.S126 1.S126 1.D66 1.D66 C Shift Assignments>> C :: 177.170 CA :: 54.781 CB :: 38.169 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 :: 8.279 HA :: 4.755 HB2 :: 2.843 HB3 :: 2.843 HD21 :: 7.614 HD22 :: 6.782 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 :: 116.590 ND2 :: 111.677 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.23 K 0.22 E 0.13 I 0.04 R 0.02 M 0.01 C Shift Assignments>> C :: 179.019 CA :: 58.970 CB :: 28.968 CG :: 34.413 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 :: 7.535 HA :: 4.187 HB2 :: 2.163 HB3 :: 2.238 HG2 :: 2.318 HG3 :: 2.502 HE21 :: 7.442 HE22 :: 6.897 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 :: 117.611 NE2 :: 111.156 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.22 E 0.15 Q 0.14 K 0.11 N 0.03 Y 0.02 H 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 178.905 CA :: 54.992 CB :: 35.110 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.395 HA :: 4.666 HB2 :: 2.485 HB3 :: 2.944 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 :: 113.913 Ave N Shift Values>> N :: 120.17(4.64) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 179.486 CA :: 66.210 CB :: 68.160 CG2 :: 21.636 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 :: 8.902 HA :: 4.550 HB :: 4.382 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.181 Ave N Shift Values>> N :: 115.42(4.75) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 D 0.14 L 0.14 C 0.1 K 0.06 I 0.04 N 0.02 C Shift Assignments>> C :: 177.298 CA :: 57.001 CB :: 40.475 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 :: 8.466 HA :: 4.511 HB2 :: 2.447 HB3 :: 2.780 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 :: 124.495 Ave N Shift Values>> N :: 120.65(3.86) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.36 C 0.26 C Shift Assignments>> C :: 174.618 CA :: 56.144 CB :: 29.431 CD2 :: 121.009 CE1 :: 137.712 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.562 HA :: 4.732 HB2 :: 2.924 HB3 :: 3.796 HD2 :: 7.536 HE1 :: 8.372 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.366 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.509 CA :: 46.539 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.048 HA2 :: 3.957 HA3 :: 4.038 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.016 Ave N Shift Values>> N :: 109.67(3.87) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.32 C 0.2 K 0.03 P 0.01 G 0.01 C Shift Assignments>> C :: 174.027 CA :: 49.914 CB :: 23.184 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.778 HA :: 4.963 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.033 Ave N Shift Values>> N :: 123.23(3.54) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.19 R 0.07 D 0.06 C 0.03 F 0.01 C Shift Assignments>> C :: 176.189 CA :: 51.943 CB :: 44.258 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 :: 8.447 HA :: 4.882 HB2 :: 2.515 HB3 :: 3.078 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.291 Ave N Shift Values>> N :: 120.65(3.86) 1.M42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 A 0.05 M 0.05 C Shift Assignments>> C :: 177.888 CA :: 57.664 CB :: 37.177 CG :: 34.824 CE :: 17.751 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 :: 10.654(S) HA :: 4.770 HB2 :: 1.885 HB3 :: 2.597 HG2 :: 2.604 HG3 :: 3.573 HE1 :: 2.088 HE2 :: 2.088 HE3 :: 2.088 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 :: 121.098 Ave N Shift Values>> N :: 120.09(3.57) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 172.205 CA :: 62.475 CB :: 39.848 CG1 :: 27.867 CG2 :: 19.300 CD1 :: 15.501 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 :: 8.253 HA :: 3.801 HB :: 1.757 HG12 :: 1.282 HG13 :: 1.348 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 HD11 :: 1.027 HD12 :: 1.027 HD13 :: 1.027 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 :: 119.548 Ave N Shift Values>> N :: 121.46(4.28) 1.S44 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.267 CB :: 64.704 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.318(S) HA :: 2.767(S) HB2 :: 3.166 HB3 :: 1.145(A) 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 :: 116.040 Ave N Shift Values>> N :: 116.28(3.52) 1.I45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.52 C 0.46 C Shift Assignments>> C :: 176.738 CA :: 60.531 CB :: 41.516 CG1 :: 27.832 CG2 :: 18.643 CD1 :: 14.410 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 :: 5.056(S) HA :: 4.315 HB :: 1.945 HG12 :: 0.683 HG13 :: 1.106 HG21 :: 1.299 HG22 :: 1.299 HG23 :: 1.299 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 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 :: 117.995 Ave N Shift Values>> N :: 121.46(4.28) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 C 0.33 W 0.31 HN Overlap>> 1.K133 1.K133 C Shift Assignments>> C :: 172.572 CA :: 57.044 CB :: 31.326 CD2 :: 118.932 CE1 :: 138.177 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.228 HA :: 4.951 HB2 :: 2.971 HB3 :: 3.672 HD2 :: 7.356 HE1 :: 8.658 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.697 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.29 L 0.09 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 173.604 CA :: 52.279 CB :: 39.887 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 :: 7.125 HA :: 3.564 HB2 :: 2.848 HB3 :: 3.218 HD21 :: 7.410 HD22 :: 7.121 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 :: 112.028 ND2 :: 115.198 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.23 Q 0.19 K 0.17 I 0.04 M 0.03 C Shift Assignments>> C :: 177.639 CA :: 58.569 CB :: 29.485 CG :: 34.902 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 :: 8.599 HA :: 3.807 HB2 :: 1.906 HB3 :: 2.158 HG2 :: 2.317 HG3 :: 2.489 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 :: 120.495 Ave N Shift Values>> N :: 120.67(3.48) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.37 E 0.08 C Shift Assignments>> C :: 179.533 CA :: 60.724 CB :: 28.653 CG :: 37.821 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 :: 8.613 HA :: 4.067 HB2 :: 2.092 HB3 :: 2.254 HG2 :: 2.368 HG3 :: 2.503 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 :: 120.070 Ave N Shift Values>> N :: 120.67(3.48) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.35 I 0.11 K 0.04 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.519 CA :: 59.586 CB :: 30.214 CG :: 36.247 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 :: 8.779 HA :: 3.931 HB2 :: 2.180 HB3 :: 2.180 HG2 :: 2.345 HG3 :: 2.525 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.998 Ave N Shift Values>> N :: 120.67(3.48) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.22 K 0.14 C 0.11 L 0.09 I 0.08 D 0.04 R 0.01 C Shift Assignments>> C :: 176.473 CA :: 58.641 CB :: 41.061 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 :: 7.729 HA :: 4.095 HB2 :: 2.515 HB3 :: 3.153 HD21 :: 8.125 HD22 :: 6.769 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 :: 120.264 ND2 :: 112.809 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 I 0.03 C 0.03 C Shift Assignments>> C :: 180.121 CA :: 55.228 CB :: 18.429 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.661 HA :: 4.028 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.255 Ave N Shift Values>> N :: 123.23(3.54) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 178.324 CA :: 60.419 CB :: 38.529 CD1 :: 131.671 CD2 :: 131.671 CE1 :: 130.866 CE2 :: 130.866 CZ :: 128.711 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 :: 8.049 HA :: 4.061 HB2 :: 2.308 HB3 :: 2.369 HD1 :: 6.498 HD2 :: 6.498 HE1 :: 6.382 HE2 :: 6.501 HZ :: 6.651 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 :: 121.319 Ave N Shift Values>> N :: 120.45(4.18) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.322 CA :: 64.038 CB :: 36.629 CG1 :: 28.516 CG2 :: 17.994 CD1 :: 13.166 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 :: 8.063 HA :: 2.897 HB :: 1.960 HG12 :: 1.159 HG13 :: 1.551 HG21 :: 0.624 HG22 :: 0.624 HG23 :: 0.624 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.794 Ave N Shift Values>> N :: 121.46(4.28) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.43 R 0.1 G 0.01 C Shift Assignments>> C :: 178.425 CA :: 58.600 CB :: 42.385 CG :: 26.965 CD1 :: 24.808 CD2 :: 25.962 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 :: 7.871 HA :: 3.758 HB2 :: 1.565 HB3 :: 1.801 HG :: 1.860 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.953 HD22 :: 0.953 HD23 :: 0.953 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 :: 119.247 Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.16 Y 0.14 D 0.08 C 0.08 R 0.05 I 0.02 C Shift Assignments>> C :: 178.528 CA :: 57.546 CB :: 41.657 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 :: 8.152 HA :: 4.169 HB2 :: 2.416 HB3 :: 2.612 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.939 Ave N Shift Values>> N :: 120.65(3.86) 1.T57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.248 CA :: 66.679 CB :: 67.965 CG2 :: 20.526 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 :: 7.725 HA :: 3.439 HB :: 3.263 HG21 :: -0.025(S) HG22 :: -0.025(S) HG23 :: -0.025(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 :: 115.942 Ave N Shift Values>> N :: 115.42(4.75) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.3 R 0.13 K 0.01 C Shift Assignments>> C :: 177.962 CA :: 57.840 CB :: 41.719 CG :: 27.165 CD1 :: 23.416 CD2 :: 27.189 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 :: 8.261 HA :: 3.994 HB2 :: 1.302 HB3 :: 1.898 HG :: 1.725 HD11 :: 0.503 HD12 :: 0.503 HD13 :: 0.503 HD21 :: 0.650 HD22 :: 0.650 HD23 :: 0.650 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 :: 122.778 Ave N Shift Values>> N :: 121.86(3.9) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.38 R 0.18 C Shift Assignments>> C :: 178.059 CA :: 58.702 CB :: 32.905 CG :: 25.690 CD :: 29.502 CE :: 42.259 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 :: 7.710 HA :: 4.056 HB2 :: 1.834 HB3 :: 1.805 HG2 :: 1.326 HG3 :: 1.579 HD2 :: 1.603 HD3 :: 1.603 HE2 :: 2.851 HE3 :: 2.851 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 :: 116.989 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.41 R 0.15 C Shift Assignments>> C :: 176.984 CA :: 57.864 CB :: 33.890 CG :: 25.435 CD :: 29.144 CE :: 42.205 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 :: 7.528 HA :: 4.235 HB2 :: 1.729 HB3 :: 1.785 HG2 :: 1.315 HG3 :: 1.420 HD2 :: 1.584 HD3 :: 1.584 HE2 :: 2.896 HE3 :: 2.896 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.28 K 0.24 M 0.11 E 0.05 R 0.01 C Shift Assignments>> C :: 176.174 CA :: 57.458 CB :: 29.955 CG :: 33.460 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 :: 7.973 HA :: 4.328 HB2 :: 1.595 HB3 :: 1.748 HG2 :: 2.026 HG3 :: 2.087 HE21 :: 7.277 HE22 :: 6.647 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 :: 117.770 NE2 :: 110.723 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.46 C Shift Assignments>> C :: 174.955 CA :: 56.253 CB :: 30.082 CD1 :: 124.089 CE3 :: 120.477 CZ2 :: 114.564 CZ3 :: 121.208 CH2 :: 125.860 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.015 HA :: 4.793 HB2 :: 2.821 HB3 :: 2.821 HD1 :: 6.993 HE1 :: 10.419 HE3 :: 7.071 HZ2 :: 7.382 HZ3 :: 6.762 HH2 :: 7.173 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 :: 120.070 NE1 :: 129.886 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.34 R 0.22 G 0.01 HN Overlap>> 1.Y138 1.Y138 C Shift Assignments>> C :: 176.450 CA :: 56.015 CB :: 31.254 CG :: 24.490 CD :: 29.012 CE :: 42.301 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 :: 7.859 HA :: 4.189 HB2 :: 1.711 HB3 :: 1.744 HG2 :: 1.284 HG3 :: 1.284 HD2 :: 1.616 HD3 :: 1.616 HE2 :: 2.951 HE3 :: 2.951 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 :: 120.105 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 171.536 CA :: 45.341 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.675 HA2 :: 3.554 HA3 :: 4.035 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.891 Ave N Shift Values>> N :: 109.67(3.87) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 175.197 CA :: 62.845 CB :: 32.802 CG :: 27.097 CD :: 50.049 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 :: 4.632 HB2 :: 2.239 HB3 :: 2.399 HG2 :: 2.017 HG3 :: 2.155 HD2 :: 3.559 HD3 :: 3.686 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.16 F 0.12 Y 0.08 R 0.07 C 0.05 N 0.01 HN Overlap>> 1.N33 1.N33 C Shift Assignments>> C :: 175.965 CA :: 56.028 CB :: 41.813 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 :: 8.298 HA :: 4.500 HB2 :: 2.632 HB3 :: 2.632 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.689 Ave N Shift Values>> N :: 120.65(3.86) 1.D67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.35 L 0.31 R 0.15 D 0.08 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.993 CA :: 53.548 CB :: 44.240 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 :: 7.672 HA :: 5.745(S) HB2 :: 2.375 HB3 :: 2.375 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.232 Ave N Shift Values>> N :: 120.65(3.86) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.45 A 0.01 C Shift Assignments>> C :: 174.982 CA :: 58.455 CB :: 41.387 CG1 :: 27.546 CG2 :: 18.118 CD1 :: 13.884 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 :: 8.631 HA :: 4.836 HB :: 1.822 HG12 :: 1.135 HG13 :: 1.459 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 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 :: 118.656 Ave N Shift Values>> N :: 121.46(4.28) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.29 R 0.15 G 0.12 C Shift Assignments>> C :: 176.381 CA :: 56.117 CB :: 43.766 CG :: 27.116 CD1 :: 25.205 CD2 :: 26.234 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 :: 8.705 HA :: 3.967 HB2 :: 1.523 HB3 :: 1.613 HG :: 1.620 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.677 HD22 :: 0.677 HD23 :: 0.677 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 :: 127.871 Ave N Shift Values>> N :: 121.86(3.9) 1.L70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.43 G 0.41 C 0.11 A 0.03 C Shift Assignments>> C :: 178.541 CA :: 52.802 CB :: 44.517 CG :: 26.416 CD1 :: 23.465 CD2 :: 23.568 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 :: 8.533 HA :: 4.397 HB2 :: 1.095 HB3 :: 1.482 HG :: 1.346 HD11 :: 0.420 HD12 :: 0.420 HD13 :: 0.420 HD21 :: -0.522(S) HD22 :: -0.522(S) HD23 :: -0.522(S) 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 :: 121.608 Ave N Shift Values>> N :: 121.86(3.9) 1.G71 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.61 A 0.16 N 0.1 D 0.03 C 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 174.305 CA :: 50.639(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.246 HA2 :: 3.697 HA3 :: 4.934 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.161 Ave N Shift Values>> N :: 109.67(3.87) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 C 0.28 M 0.01 HN Overlap>> 1.K24 1.K24 C Shift Assignments>> C :: 172.877 CA :: 53.763 CB :: 39.381 CG :: 30.827 CE :: 19.408 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 :: 8.232 HA :: 5.295 HB2 :: 1.519 HB3 :: 1.622 HG2 :: 1.763 HG3 :: 1.763 HE1 :: 1.544 HE2 :: 1.544 HE3 :: 1.544 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.962 Ave N Shift Values>> N :: 120.09(3.57) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.25 G 0.03 C Shift Assignments>> C :: 171.775 CA :: 54.973 CB :: 42.262 CD1 :: 132.837 CD2 :: 132.837 CE1 :: 130.568 CE2 :: 130.568 CZ :: 130.401 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 :: 8.760 HA :: 5.202 HB2 :: 2.707 HB3 :: 3.094 HD1 :: 6.453 HD2 :: 6.453 HE1 :: 7.104 HE2 :: 7.104 HZ :: 7.300 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.962 Ave N Shift Values>> N :: 120.45(4.18) 1.Y74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 173.780 CA :: 57.942 CB :: 39.217 CD1 :: 132.525 CD2 :: 132.525 CE1 :: 116.995 CE2 :: 116.995 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 :: 9.228 HA :: 3.910 HB2 :: 2.252 HB3 :: 2.791 HD1 :: 5.715(S) HD2 :: 5.715(S) HE1 :: 6.222 HE2 :: 6.222 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.512 Ave N Shift Values>> N :: 120.52(4.2) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.09 R 0.08 N 0.08 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 176.130 CA :: 52.362 CB :: 42.254 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 :: 8.085 HA :: 4.725 HB2 :: 2.092 HB3 :: 2.983 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.029 Ave N Shift Values>> N :: 120.65(3.86) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.515 CA :: 64.429 CB :: 68.737 CG2 :: 22.386 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 :: 8.262 HA :: 3.767 HB :: 4.340 HG21 :: 1.434 HG22 :: 1.434 HG23 :: 1.434 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.210 Ave N Shift Values>> N :: 115.42(4.75) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.11 C 0.1 K 0.08 I 0.04 N 0.01 C Shift Assignments>> C :: 177.185 CA :: 57.341 CB :: 40.609 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 :: 8.374 HA :: 4.474 HB2 :: 2.606 HB3 :: 2.812 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.662 Ave N Shift Values>> N :: 120.65(3.86) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.14 K 0.08 F 0.07 C 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 175.236 CA :: 53.456 CB :: 41.227 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 :: 7.343 HA :: 4.580 HB2 :: 2.404 HB3 :: 2.617 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.032 Ave N Shift Values>> N :: 120.65(3.86) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.39 C 0.01 C Shift Assignments>> C :: 175.434 CA :: 52.501 CB :: 16.546 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.780 HA :: 3.650 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.663 Ave N Shift Values>> N :: 123.23(3.54) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 172.552 CA :: 57.020 CB :: 66.437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.042 HA :: 4.603 HB2 :: 3.578 HB3 :: 3.610 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 :: 109.766 Ave N Shift Values>> N :: 116.28(3.52) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 175.698 CA :: 59.033 CB :: 41.344 CD1 :: 132.139 CD2 :: 132.139 CE1 :: 131.056 CE2 :: 131.056 CZ :: 129.161 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 :: 8.502 HA :: 4.823 HB2 :: 2.813 HB3 :: 2.979 HD1 :: 7.027 HD2 :: 7.027 HE1 :: 6.985 HE2 :: 6.985 HZ :: 6.782 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 :: 121.019 Ave N Shift Values>> N :: 120.45(4.18) 1.K82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.39 K 0.15 G 0.03 C Shift Assignments>> C :: 175.022 CA :: 54.132 CB :: 36.825 CG :: 25.575 CD :: 29.422 CE :: 42.576 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 :: 8.493 HA :: 4.320 HB2 :: 0.508(S) HB3 :: 1.536 HG2 :: 1.038 HG3 :: 1.038 HD2 :: 1.496 HD3 :: 1.720 HE2 :: 2.768 HE3 :: 2.914 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 :: 119.330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 W 0.2 C Shift Assignments>> C :: 180.169 CA :: 55.759 CB :: 31.667 CD1 :: 130.942 CE3 :: 122.539 CZ2 :: 114.959 CZ3 :: 122.370 CH2 :: 122.677 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.593 HA :: 5.242 HB2 :: 3.207 HB3 :: 3.602 HD1 :: 7.343 HE1 :: 10.475 HE3 :: 7.957 HZ2 :: 8.042 HZ3 :: 6.740 HH2 :: 6.200 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 :: 119.800 NE1 :: 130.152 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 176.864 CA :: 62.177 CB :: 39.257 CD1 :: 131.207 CD2 :: 131.207 CE1 :: 132.129 CE2 :: 132.129 CZ :: 129.687 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 :: 9.150 HA :: 4.651 HB2 :: 3.024 HB3 :: 3.510 HD1 :: 7.181 HD2 :: 7.181 HE1 :: 7.317 HE2 :: 7.317 HZ :: 7.304 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 :: 124.276 Ave N Shift Values>> N :: 120.45(4.18) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.25 F 0.11 Y 0.11 L 0.09 C 0.08 C Shift Assignments>> C :: 177.210 CA :: 54.236 CB :: 39.495 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 :: 8.425 HA :: 4.456 HB2 :: 2.578 HB3 :: 3.220 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.713 Ave N Shift Values>> N :: 120.65(3.86) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.18 Y 0.17 F 0.13 E 0.08 D 0.07 M 0.03 L 0.02 I 0.02 C Shift Assignments>> C :: 174.822 CA :: 55.197 CB :: 37.856 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 :: 8.181 HA :: 4.788 HB2 :: 3.114 HB3 :: 3.244 HD21 :: 7.581 HD22 :: 6.913 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 :: 112.518 ND2 :: 112.474 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.899 CA :: 58.669 CB :: 63.855 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.540 HA :: 4.462 HB2 :: 3.827 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 :: 116.257 Ave N Shift Values>> N :: 116.28(3.52) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.25 F 0.1 Y 0.09 L 0.09 C 0.08 C Shift Assignments>> C :: 175.654 CA :: 53.981 CB :: 39.497 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 :: 8.703 HA :: 4.839 HB2 :: 2.902 HB3 :: 2.902 HD21 :: 7.643 HD22 :: 7.065 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 :: 117.757 ND2 :: 112.940 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 A 0.29 C 0.26 C Shift Assignments>> CA :: 54.006 CB :: 30.508 CG :: 31.987 CE :: 16.930 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 :: 9.041 HA :: 5.510 HB2 :: 1.994 HB3 :: 2.429 HG2 :: 2.614 HG3 :: 2.738 HE1 :: 2.043 HE2 :: 2.043 HE3 :: 2.043 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.162 Ave N Shift Values>> N :: 120.09(3.57) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.731 CA :: 62.192 CB :: 69.726 CG2 :: 22.602 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>> HA :: 4.699 HB :: 4.583 HG21 :: 1.336 HG22 :: 1.336 HG23 :: 1.336 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) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.24 G 0.19 C 0.18 HN Overlap>> 1.K139 1.K139 C Shift Assignments>> C :: 172.784 CA :: 57.415 CB :: 43.580 CD1 :: 131.285 CD2 :: 131.285 CE1 :: 128.736 CE2 :: 128.736 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 :: 8.118 HA :: 4.712 HB2 :: 2.676 HB3 :: 3.307 HD1 :: 7.103 HD2 :: 7.103 HE1 :: 6.987 HE2 :: 6.987 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 :: 123.975 Ave N Shift Values>> N :: 120.45(4.18) 1.D92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.67 L 0.18 R 0.05 D 0.04 C 0.03 C Shift Assignments>> C :: 172.230 CA :: 52.412 CB :: 44.591 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.775 HA :: 3.336(S) HB2 :: 1.260(S) HB3 :: 2.308 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 :: 120.156 Ave N Shift Values>> N :: 120.65(3.86) 1.K93 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.48 C 0.29 R 0.19 A 0.01 C Shift Assignments>> C :: 175.884 CA :: 52.919 CB :: 30.853 CG :: 24.371 CD :: 28.523 CE :: 41.779 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 :: 2.740(A) HA :: 3.812 HB2 :: -0.336(S) HB3 :: 1.031 HG2 :: 0.739 HG3 :: 0.817 HD2 :: 1.522 HD3 :: 1.592 HE2 :: 2.780 HE3 :: 2.916 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.787 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (H > HA : 1.0000) (H > HE2 : 1.0000) (H > HE3 : 1.0000) 1.W94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 178.457 CA :: 57.574 CB :: 30.217 CD1 :: 128.594 CE3 :: 121.359 CZ2 :: 114.134 CZ3 :: 121.623 CH2 :: 124.719 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.247 HA :: 4.940 HB2 :: 2.891 HB3 :: 3.329 HD1 :: 7.000 HE1 :: 10.011 HE3 :: 7.680 HZ2 :: 6.623 HZ3 :: 6.617 HH2 :: 6.388 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.829 NE1 :: 127.904 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.199 CA :: 61.543 CB :: 70.226 CG2 :: 21.128 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 :: 8.869 HA :: 4.456 HB :: 4.238 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 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 :: 116.497 Ave N Shift Values>> N :: 115.42(4.75) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 F 0.12 N 0.11 Y 0.09 K 0.07 C 0.06 C Shift Assignments>> C :: 175.923 CA :: 54.715 CB :: 40.825 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 :: 8.384 HA :: 4.637 HB2 :: 2.682 HB3 :: 2.682 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 :: 123.390 Ave N Shift Values>> N :: 120.65(3.86) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.24 M 0.24 K 0.11 E 0.11 C Shift Assignments>> C :: 175.204 CA :: 55.592 CB :: 30.669 CG :: 34.148 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 :: 8.225 HA :: 4.416 HB2 :: 1.958 HB3 :: 2.125 HG2 :: 2.324 HG3 :: 2.324 HE21 :: 7.720 HE22 :: 7.010 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 :: 121.491 NE2 :: 112.547 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.E123 1.E123 C Shift Assignments>> C :: 175.927 CA :: 54.456 CB :: 41.433 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 :: 8.335 HA :: 4.620 HB2 :: 2.575 HB3 :: 2.677 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.053 Ave N Shift Values>> N :: 120.65(3.86) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.08 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 175.937 CA :: 54.367 CB :: 41.430 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 :: 8.330 HA :: 4.586 HB2 :: 2.626 HB3 :: 2.626 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 :: 120.903 Ave N Shift Values>> N :: 120.65(3.86) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.11 N 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 176.110 CA :: 54.249 CB :: 41.282 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 :: 8.260 HA :: 4.553 HB2 :: 2.579 HB3 :: 2.579 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 :: 120.782 Ave N Shift Values>> N :: 120.65(3.86) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.13 Q 0.06 K 0.04 I 0.01 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 175.937 CA :: 56.692 CB :: 30.587 CG :: 36.129 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 :: 8.176 HA :: 4.174 HB2 :: 1.867 HB3 :: 1.968 HG2 :: 2.176 HG3 :: 2.222 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 :: 120.784 Ave N Shift Values>> N :: 120.67(3.48) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.14 F 0.1 Y 0.07 K 0.07 C 0.06 C Shift Assignments>> C :: 175.748 CA :: 54.183 CB :: 40.856 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 :: 8.272 HA :: 4.514 HB2 :: 2.486 HB3 :: 2.486 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 :: 121.186 Ave N Shift Values>> N :: 120.65(3.86) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.27 A 0.03 R 0.03 G 0.01 C Shift Assignments>> C :: 177.059 CA :: 54.947 CB :: 42.081 CG :: 26.604 CD1 :: 23.187 CD2 :: 25.339 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 :: 7.854 HA :: 4.166 HB2 :: 1.071 HB3 :: 1.156 HG :: 1.371 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 HD21 :: 0.702 HD22 :: 0.702 HD23 :: 0.702 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 :: 122.747 Ave N Shift Values>> N :: 121.86(3.9) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 HN Overlap>> 1.I23 1.I23 C Shift Assignments>> C :: 176.036 CA :: 63.990 CB :: 32.215 CG1 :: 20.995 CG2 :: 21.233 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 :: 7.967 HA :: 3.895 HB :: 2.059 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.413 Ave N Shift Values>> N :: 121.14(4.54) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.13 F 0.1 Y 0.07 K 0.07 C 0.06 C Shift Assignments>> C :: 175.098 CA :: 54.262 CB :: 40.883 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 :: 8.196 HA :: 4.787 HB2 :: 2.680 HB3 :: 2.839 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 :: 121.368 Ave N Shift Values>> N :: 120.65(3.86) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.621 CA :: 63.230 CB :: 69.915 CG2 :: 22.218 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 :: 7.793 HA :: 4.524 HB :: 4.144 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.621 Ave N Shift Values>> N :: 115.42(4.75) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 G 0.24 C 0.13 F 0.12 L 0.1 Y 0.07 I 0.02 K 0.01 C Shift Assignments>> C :: 171.253 CA :: 59.652 CB :: 43.916 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.948 HA :: 5.003 HB2 :: 2.751 HB3 :: 2.751 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 :: 123.527 Ave N Shift Values>> N :: 120.17(4.64) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 P 0.27 C 0.18 K 0.08 A 0.03 R 0.01 HN Overlap>> 1.K119 1.K119 C Shift Assignments>> C :: 175.134 CA :: 50.487 CB :: 24.392 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.183 HA :: 5.319 HB1 :: 1.168 HB2 :: 1.168 HB3 :: 1.168 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.907 Ave N Shift Values>> N :: 123.23(3.54) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.19 G 0.08 C Shift Assignments>> C :: 174.902 CA :: 55.946 CB :: 42.981 CD1 :: 131.514 CD2 :: 131.514 CE1 :: 131.491 CE2 :: 131.491 CZ :: 130.760 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 :: 9.281 HA :: 5.191 HB2 :: 2.689 HB3 :: 2.689 HD1 :: 6.873 HD2 :: 6.873 HE1 :: 7.109 HE2 :: 7.109 HZ :: 7.392 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 :: 117.735 Ave N Shift Values>> N :: 120.45(4.18) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.23 G 0.22 R 0.14 C Shift Assignments>> C :: 174.490 CA :: 54.308 CB :: 44.108 CG :: 27.816 CD1 :: 24.795 CD2 :: 26.028 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 :: 9.311 HA :: 4.668 HB2 :: 1.057 HB3 :: 1.701 HG :: 1.312 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.964 Ave N Shift Values>> N :: 121.86(3.9) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.37 C 0.22 C Shift Assignments>> C :: 175.982 CA :: 54.862 CB :: 29.640 CD2 :: 121.503 CE1 :: 138.743 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.248 HA :: 5.519 HB2 :: 2.771 HB3 :: 3.642 HD2 :: 7.476 HE1 :: 8.305 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 128.841 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 176.377 CA :: 64.491 CB :: 37.181 CG1 :: 28.973 CG2 :: 18.274 CD1 :: 13.736 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 :: 8.340 HA :: 3.530 HB :: 1.838 HG12 :: 1.240 HG13 :: 1.363 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 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 :: 127.885 Ave N Shift Values>> N :: 121.46(4.28) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.13 C Shift Assignments>> C :: 177.765 CA :: 59.104 CB :: 32.833 CG :: 25.630 CD :: 28.961 CE :: 42.133 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 :: 7.951 HA :: 3.948 HB2 :: 1.666 HB3 :: 1.666 HG2 :: 1.359 HG3 :: 1.430 HE2 :: 2.996 HE3 :: 2.996 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.896 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 176.142 CA :: 60.854 CB :: 71.440 CG2 :: 22.234 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 :: 6.965 HA :: 4.644 HB :: 4.406 HG21 :: 1.280 HG22 :: 1.280 HG23 :: 1.280 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 :: 101.852 Ave N Shift Values>> N :: 115.42(4.75) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 172.121 CA :: 46.996 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.817 HA2 :: 3.565 HA3 :: 4.162 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.055 Ave N Shift Values>> N :: 109.67(3.87) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.26 M 0.23 C Shift Assignments>> C :: 174.691 CA :: 55.409 CB :: 32.248 CG :: 37.021 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 :: 7.558 HA :: 4.407 HB2 :: 2.200 HB3 :: 1.971 HG2 :: 2.159 HG3 :: 2.216 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 :: 115.601 Ave N Shift Values>> N :: 120.67(3.48) 1.W117 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.6 C 0.39 C Shift Assignments>> C :: 175.697 CA :: 52.766 CB :: 30.661 CD1 :: 124.099 CE3 :: 118.580 CZ2 :: 114.445 CZ3 :: 121.878 CH2 :: 125.188 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.389 HA :: 6.038 HB2 :: 2.354 HB3 :: 2.413 HD1 :: 6.891 HE1 :: 10.483 HE3 :: 5.262(S) HZ2 :: 7.334 HZ3 :: 6.507 HH2 :: 7.499 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 :: 120.435 NE1 :: 128.341 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HE3 > HA : 1.0000) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.4 R 0.09 G 0.01 C Shift Assignments>> C :: 175.533 CA :: 54.504 CB :: 36.387 CG :: 24.648 CD :: 29.168 CE :: 41.904 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 :: 9.619 HA :: 5.194 HB2 :: 1.766 HB3 :: 1.868 HG2 :: 1.339 HG3 :: 1.453 HD2 :: 1.494 HD3 :: 1.494 HE2 :: 2.652 HE3 :: 2.712 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 :: 121.237 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K119 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 K 0.38 R 0.17 HN Overlap>> 1.A108 1.A108 C Shift Assignments>> C :: 177.427 CA :: 55.853 CB :: 34.048 CG :: 26.350 CD :: 29.722 CE :: 41.422 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 :: 9.136 HA :: 5.375 HB2 :: 1.662 HB3 :: 1.787 HG2 :: 1.025 HG3 :: 1.227 HD2 :: 1.325 HD3 :: 1.325 HE2 :: 2.062(S) HE3 :: 1.521(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 :: 123.008 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 171.611 CA :: 45.386 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.027 HA2 :: 3.942 HA3 :: 4.415 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.720 Ave N Shift Values>> N :: 109.67(3.87) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.23 F 0.1 Y 0.1 C 0.09 L 0.08 C Shift Assignments>> C :: 176.875 CA :: 54.002 CB :: 39.335 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 :: 8.577 HA :: 5.030 HB2 :: 2.902 HB3 :: 2.902 HD21 :: 7.749 HD22 :: 7.065 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 :: 119.095 ND2 :: 113.194 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.22 K 0.15 D 0.13 F 0.08 Y 0.05 C 0.05 G 0.01 C Shift Assignments>> C :: 175.047 CA :: 55.800 CB :: 42.697 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.878 HA :: 4.637 HB2 :: 3.052 HB3 :: 3.262 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 :: 119.578 Ave N Shift Values>> N :: 120.17(4.64) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 K 0.12 Q 0.07 I 0.06 M 0.01 HN Overlap>> 1.D98 1.D98 C Shift Assignments>> C :: 176.624 CA :: 56.241 CB :: 28.660 CG :: 36.297 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 :: 8.265 HA :: 4.423 HB2 :: 1.989 HB3 :: 2.114 HG2 :: 2.282 HG3 :: 2.282 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.091 Ave N Shift Values>> N :: 120.67(3.48) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 176.154 CA :: 62.090 CB :: 32.756 CG1 :: 19.172 CG2 :: 21.781 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 :: 8.081 HA :: 4.313 HB :: 2.222 HG11 :: 0.807 HG12 :: 0.807 HG13 :: 0.807 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.025 Ave N Shift Values>> N :: 121.14(4.54) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.322 CA :: 60.396 CB :: 63.527 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.507 HA :: 4.534 HB2 :: 4.002 HB3 :: 4.063 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 :: 115.815 Ave N Shift Values>> N :: 116.28(3.52) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N33 1.N33 C Shift Assignments>> C :: 173.912 CA :: 58.062 CB :: 64.268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.285 HA :: 4.864 HB2 :: 3.899 HB3 :: 3.899 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 :: 116.529 Ave N Shift Values>> N :: 116.28(3.52) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.790 CA :: 62.028 CB :: 33.863 CG1 :: 21.009 CG2 :: 22.160 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 :: 8.062 HA :: 4.404 HB :: 2.256 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.219 Ave N Shift Values>> N :: 121.14(4.54) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.11 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> C :: 175.602 CA :: 56.660 CB :: 30.601 CG :: 36.574 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 :: 8.750 HA :: 4.338 HB2 :: 1.872 HB3 :: 2.136 HG2 :: 2.198 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 :: 124.048 Ave N Shift Values>> N :: 120.67(3.48) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.115 CA :: 45.842 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.529 HA2 :: 3.832 HA3 :: 3.888 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.813 Ave N Shift Values>> N :: 109.67(3.87) 1.T130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 171.470 CA :: 61.899 CB :: 72.125 CG2 :: 22.072 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 :: 7.976 HA :: 4.455 HB :: 3.623 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 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 :: 118.111 Ave N Shift Values>> N :: 115.42(4.75) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.26 C 0.2 R 0.07 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> C :: 175.229 CA :: 53.771 CB :: 44.715 CG :: 27.763 CD1 :: 25.086 CD2 :: 26.518 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 :: 8.746 HA :: 5.127 HB2 :: 1.413 HB3 :: 1.729 HG :: 1.576 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.051 Ave N Shift Values>> N :: 121.86(3.9) 1.C132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.31 L 0.1 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 172.919 CA :: 52.119 CB :: 40.116 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.766 HA :: 5.448 HB2 :: 2.230 HB3 :: 2.972 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 :: 121.008 Ave N Shift Values>> N :: 120.17(4.64) 1.K133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 R 0.3 G 0.02 HN Overlap>> 1.H46 1.H46 C Shift Assignments>> C :: 175.108 CA :: 54.879 CB :: 38.682(S) CG :: 25.015 CD :: 31.154 CE :: 42.222 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 :: 9.216 HA :: 5.599 HB2 :: 1.506 HB3 :: 1.694 HG2 :: 0.826 HG3 :: 1.042 HD2 :: 1.761 HD3 :: 1.761 HE2 :: 2.939 HE3 :: 2.939 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 :: 121.674 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 171.535 CA :: 60.608 CB :: 70.966 CG2 :: 19.706 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 :: 9.070 HA :: 4.727 HB :: 4.048 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 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 :: 120.290 Ave N Shift Values>> N :: 115.42(4.75) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.04 C 0.02 L 0.02 C Shift Assignments>> C :: 177.887 CA :: 52.143 CB :: 20.066 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.137 HA :: 4.666 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.000 Ave N Shift Values>> N :: 123.23(3.54) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 59.805 CB :: 38.613 CG1 :: 27.956 CG2 :: 17.296 CD1 :: 13.946 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 :: 7.952 HA :: 4.179 HB :: 1.604 HG12 :: 0.940 HG13 :: 1.355 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 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 :: 121.557 Ave N Shift Values>> N :: 121.46(4.28) 1.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 176.206 CA :: 63.301 CB :: 31.632 CG :: 27.329 CD :: 51.045 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 :: 4.331 HB2 :: 1.799 HB3 :: 2.118 HG2 :: 1.873 HG3 :: 1.873 HD2 :: 3.618 HD3 :: 3.794 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> C :: 175.331 CA :: 57.815 CB :: 38.787 CD1 :: 133.191 CD2 :: 133.191 CE1 :: 118.263 CE2 :: 118.263 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 :: 7.827 HA :: 4.476 HB2 :: 2.945 HB3 :: 2.945 HD1 :: 7.071 HD2 :: 7.071 HE1 :: 6.779 HE2 :: 6.779 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 :: 120.116 Ave N Shift Values>> N :: 120.52(4.2) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.12 HN Overlap>> 1.F91 1.F91 C Shift Assignments>> C :: 174.995 CA :: 56.050 CB :: 33.084 CG :: 24.543 CD :: 28.967 CE :: 42.153 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 :: 8.029 HA :: 4.268 HB2 :: 1.644 HB3 :: 1.770 HG2 :: 1.329 HG3 :: 1.329 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.947 HE3 :: 2.947 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 :: 123.949 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.42 G 0.08 K 0.05 C Shift Assignments>> C :: 180.952 CA :: 57.503 CB :: 31.563 CG :: 27.307 CD :: 43.632 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 :: 7.852 HA :: 4.117 HB2 :: 1.670 HB3 :: 1.811 HG2 :: 1.564 HG3 :: 1.564 HD2 :: 3.158 HD3 :: 3.158 HE :: 7.150 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 :: 128.524 NE :: 85.265 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 123 #Clerical: 0 #Suspicious: 14 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 3 C Shift Results: #Consistent: 625 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 930 #Duplicate: 0 #Unknown: 0 #Suspicious: 30 #Anomalous: 2 N Shift Results: #Consistent: 151 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P4 HG2 = 0.848(S), Expected = 1.93, Std = 0.3100, ChiSquare = 4.8244e-04 1.P4 HD2 = 1.675(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.6725e-08 1.Q12 HG2 = 1.044(S), Expected = 2.32, Std = 0.2700, ChiSquare = 2.2907e-06 1.I17 HB = 0.050(S), Expected = 1.78, Std = 0.2900, ChiSquare = 2.4386e-09 1.I17 HG21 = -0.469(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4561e-06 1.I17 HG22 = -0.469(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4561e-06 1.I17 HG23 = -0.469(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4561e-06 1.I17 HD11 = -0.289(S), Expected = 0.68, Std = 0.2900, ChiSquare = 8.3363e-04 1.I17 HD12 = -0.289(S), Expected = 0.68, Std = 0.2900, ChiSquare = 8.3363e-04 1.I17 HD13 = -0.289(S), Expected = 0.68, Std = 0.2900, ChiSquare = 8.3363e-04 1.M42 H = 10.654(S), Expected = 8.26, Std = 0.6000, ChiSquare = 6.6073e-05 1.S44 H = 6.318(S), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8284e-04 1.S44 HA = 2.767(S), Expected = 4.48, Std = 0.4000, ChiSquare = 1.8481e-05 1.S44 HB3 = 1.145(A), Expected = 3.85, Std = 0.2700, ChiSquare = 1.2638e-23 1.I45 H = 5.056(S), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1248e-06 1.T57 HG21 = -0.025(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0793e-07 1.T57 HG22 = -0.025(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0793e-07 1.T57 HG23 = -0.025(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0793e-07 1.D67 HA = 5.745(S), Expected = 4.59, Std = 0.3200, ChiSquare = 3.0694e-04 1.L70 HD21 = -0.522(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5799e-05 1.L70 HD22 = -0.522(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5799e-05 1.L70 HD23 = -0.522(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5799e-05 1.G71 Typing: Mistyped 1.G71 CA = 50.639(S), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9132e-05 1.Y74 HD1 = 5.715(S), Expected = 6.93, Std = 0.3000, ChiSquare = 5.1218e-05 1.Y74 HD2 = 5.715(S), Expected = 6.93, Std = 0.3000, ChiSquare = 5.1218e-05 1.K82 HB2 = 0.508(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.6186e-07 1.D92 HA = 3.336(S), Expected = 4.59, Std = 0.3200, ChiSquare = 8.9009e-05 1.D92 HB2 = 1.260(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.9613e-08 1.K93 H = 2.740(A), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0530e-19 1.K93 HB2 = -0.336(S), Expected = 1.78, Std = 0.2500, ChiSquare = 2.5836e-17 1.K93 SRO Rule Break>> H > HA : 1 1.K93 SRO Rule Break>> H > HE2 : 1 1.K93 SRO Rule Break>> H > HE3 : 1 1.W117 HE3 = 5.262(S), Expected = 7.31, Std = 0.4100, ChiSquare = 5.8799e-07 1.W117 SRO Rule Break>> HE3 > HA : 1 1.K119 HE2 = 2.062(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.3081e-06 1.K119 HE3 = 1.521(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.7846e-12 1.K119 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K119 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.K133 CB = 38.682(S), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3259e-04