Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.44 M 0.41 Q 0.1 E 0.03 C Shift Assignments>> C :: 177.248 CA :: 56.719 CB :: 33.656 CG :: 33.009 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>> HA :: 4.44 HB2 :: 2.037 HB3 :: 1.943 HG2 :: 2.473 HG3 :: 2.432 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) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.466 CA :: 59.622 CB :: 64.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.317 HA :: 4.393 HB2 :: 3.847 HB3 :: 3.852 HG :: 4.757 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.478 Ave N Shift Values>> N :: 116.28(3.52) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.29 M 0.1 I 0.03 C Shift Assignments>> C :: 177.189 CA :: 57.791 CB :: 31.568 CG :: 37.559 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 :: 8.359 HA :: 4.278 HB2 :: 2.053 HB3 :: 1.961 HG2 :: 2.202 HG3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.783 Ave N Shift Values>> N :: 120.67(3.48) 1.K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> R 0.45 C 0.4 K 0.09 G 0.04 C Shift Assignments>> C :: 176.557 CA :: 56.826 CB :: 35.393 CG :: 26.197 CD :: 30.268 CE :: 43.149 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 :: 8.193 HA :: 4.514 HB2 :: 1.669 HB3 :: 1.602 HG2 :: 1.225 HG3 :: 1.328 HD3 :: 1.363 HE3 :: 2.692 HZ1 :: 8.626(U) HZ2 :: 8.626(U) HZ3 :: 8.626(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.875 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.42 L 0.09 C Shift Assignments>> C :: 175.699 CA :: 54.542 CB :: 46.512 CG :: 28.463 CD1 :: 26.792 CD2 :: 24.95 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 :: 8.265 HA :: 4.394 HB2 :: 0.872 HB3 :: 0.642 HG :: 1.476 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 123.258 Ave N Shift Values>> N :: 121.86(3.9) 1.R6 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 G 0.3 R 0.06 C Shift Assignments>> C :: 175.633 CA :: 57.175 CB :: 35.42 CG :: 27.41 CD :: 44.258 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 :: 7.759 HA :: 4.604 HB2 :: 0.801(S) HB3 :: 1.172 HG2 :: 1.103 HG3 :: 1.8 HD2 :: 2.335 HD3 :: 1.716(S) HE :: 7.719 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 :: 117.197 NE :: 84.153 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD3 > HG3 : 0.9982) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.16 K 0.16 P 0.09 R 0.04 Q 0.01 H 0.01 C Shift Assignments>> C :: 174.004 CA :: 51.867 CB :: 25.007 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.637 HA :: 5.14 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.954 Ave N Shift Values>> N :: 123.23(3.54) 1.A8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.48 C 0.21 A 0.17 K 0.06 P 0.05 C Shift Assignments>> C :: 177.446 CA :: 50.276 CB :: 23.621 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.991 HA :: 5.79(S) HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.081 Ave N Shift Values>> N :: 123.23(3.54) 1.H9 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.26 Y 0.17 F 0.15 D 0.15 C 0.13 L 0.05 I 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 172.689 CA :: 55.096 CB :: 38.732(S) 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 :: 9.489 HA :: 6.129(S) HB2 :: 3.328 HB3 :: 3.547 HD1 :: 7.27 HD2 :: 7.74 HE1 :: 7.29 HE2 :: 7.638 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 :: 118.002 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.46 R 0.05 C Shift Assignments>> C :: 174.163 CA :: 56.703 CB :: 45.567 CG :: 30.614(S) CD1 :: 26.802 CD2 :: 24.487 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 :: 8.866 HA :: 3.906 HB2 :: 0.837 HB3 :: 1.55 HG :: 1.073 HD11 :: 0.097 HD12 :: 0.097 HD13 :: 0.097 HD21 :: 0.245 HD22 :: 0.245 HD23 :: 0.245 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.276 Ave N Shift Values>> N :: 121.86(3.9) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 A 0.23 C 0.2 C Shift Assignments>> C :: 175.626 CA :: 53.603 CB :: 45.695 CG :: 28.446 CD1 :: 21.691 CD2 :: 28.35 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 :: 7.762 HA :: 4.738 HB2 :: 0.764 HB3 :: 1.489 HG :: 1.029 HD11 :: -0.108 HD12 :: -0.108 HD13 :: -0.108 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 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 :: 127.134 Ave N Shift Values>> N :: 121.86(3.9) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.28 I 0.07 P 0.07 K 0.01 C Shift Assignments>> C :: 177.055 CA :: 62.841 CB :: 34.389 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.667 HA :: 4.41 HB :: 1.766 HG11 :: 0.626 HG12 :: 0.626 HG13 :: 0.626 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 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 :: 129.45 Ave N Shift Values>> N :: 121.14(4.54) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.5 R 0.29 G 0.19 C Shift Assignments>> C :: 176.034 CA :: 58.166 CB :: 37.794 CG :: 25.836 CD :: 29.146 CE :: 44.035 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 :: 9.138 HA :: 4.482 HB2 :: 1.89 HB3 :: 1.625 HG2 :: 1.5 HG3 :: 1.365 HD2 :: 1.969 HD3 :: 1.563 HE2 :: 3.061 HE3 :: 3.231 HZ1 :: 7.324(U) HZ2 :: 7.324(U) HZ3 :: 7.324(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.188 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.11 D 0.09 I 0.06 K 0.04 N 0.01 HN Overlap>> 1.M82 1.M82 C Shift Assignments>> C :: 176.588 CA :: 57.588 CB :: 40.359 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 :: 8.617 HA :: 5.254 HB2 :: 3.233 HB3 :: 3.012 HD1 :: 7.44 HD2 :: 7.44 HE1 :: 6.631 HE2 :: 6.631 HZ :: 7.523 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 :: 117.138 Ave N Shift Values>> N :: 120.45(4.18) 1.S15 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 :: 180.099 CA :: 62.865 CB :: 64.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.437 HA :: 4.019 HB2 :: 3.97 HB3 :: 3.908 HG :: 4.756 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.047 Ave N Shift Values>> N :: 116.28(3.52) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.458 CA :: 45.782 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.02 HA3 :: 2.926 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 174.702 CA :: 62.099 CB :: 65.081 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.236 HA :: 3.839 HB3 :: 3.57 HG :: 5.403 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.55 Ave N Shift Values>> N :: 116.28(3.52) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.37 R 0.15 C Shift Assignments>> C :: 177.005 CA :: 59.595 CB :: 30.106 CG :: 27.539 CD :: 44.798 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 :: 8.544 HA :: 4.063 HB2 :: 1.766 HB3 :: 1.641 HG2 :: 1.699 HG3 :: 1.89 HD2 :: 2.996 HD3 :: 3.137 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 :: 123.998 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.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.33 L 0.1 C 0.06 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 50.82 CB :: 40.496 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 :: 8.412 HA :: 5.264 HB2 :: 2.073 HB3 :: 2.812 HD21 :: 6.794 HD22 :: 8.331 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 :: 116.403 ND2 :: 114.381 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.46 C Shift Assignments>> C :: 176.381 CA :: 64.564 CB :: 29.31 CG :: 27.672 CD :: 51.557 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 :: 4.338 HB2 :: 1.793 HB3 :: 1.998 HG2 :: 2.068 HG3 :: 1.866 HD2 :: 3.706 HD3 :: 3.458 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.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 176.393 CA :: 62.839 CB :: 35.986 CG1 :: 21.287 CG2 :: 22.568 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 :: 8.81 HA :: 4.348 HB :: 1.746 HG11 :: 0.611 HG12 :: 0.611 HG13 :: 0.611 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.905 Ave N Shift Values>> N :: 121.14(4.54) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.264 CA :: 59.682 CB :: 64.553 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.657 HA :: 4.296 HB3 :: 3.657 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.164 Ave N Shift Values>> N :: 116.28(3.52) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.39 G 0.09 K 0.06 C Shift Assignments>> C :: 176.541 CA :: 57.26 CB :: 29.882 CG :: 28.586 CD :: 43.573 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 :: 8.837 HA :: 4.344 HB2 :: 2.036 HB3 :: 1.802 HG2 :: 1.842 HG3 :: 2.008 HD2 :: 3.28 HD3 :: 3.331 HE :: 8.308 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 :: 129.578 NE :: 85.335 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.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.29 K 0.15 G 0.04 C Shift Assignments>> C :: 177.905 CA :: 58.816 CB :: 33.064 CG :: 26.517 CD :: 43.035 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 :: 7.439 HA :: 3.79 HB2 :: 1.263 HB3 :: 1.422 HG2 :: 1.487 HG3 :: 1.697 HD2 :: 3.013 HD3 :: 2.565 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 :: 119.514 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.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 177.078 CA :: 62.291 CB :: 71.224 CG2 :: 22.714 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 :: 7.088 HA :: 4.258 HB :: 4.3 HG1 :: 4.791 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 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 :: 104.184 Ave N Shift Values>> N :: 115.42(4.75) 1.G26 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 :: 174.471 CA :: 46.469 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.678 HA2 :: 4.173 HA3 :: 3.662 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.483 Ave N Shift Values>> N :: 109.67(3.87) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 D 0.16 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 177.147 CA :: 54.763 CB :: 42.95 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 :: 8.128 HA :: 4.763 HB2 :: 2.659 HB3 :: 2.476 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 :: 120.302 Ave N Shift Values>> N :: 120.65(3.86) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.127 CA :: 58.869 CB :: 64.796 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.633 HA :: 4.629 HB2 :: 4.077 HB3 :: 3.789 HG :: 6.077 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 :: 113.726 Ave N Shift Values>> N :: 116.28(3.52) 1.T29 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 :: 176.368 CA :: 62.892 CB :: 69.624 CG2 :: 21.48 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 :: 8.397 HA :: 4.589 HB :: 4.296 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 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 :: 120.655 Ave N Shift Values>> N :: 115.42(4.75) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.27 C 0.1 L 0.06 V 0.05 I 0.02 T 0.01 C Shift Assignments>> C :: 177.708 CA :: 55.828 CB :: 19.849 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.251 HA :: 3.795 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.923 Ave N Shift Values>> N :: 123.23(3.54) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 K 0.17 F 0.08 R 0.07 Y 0.05 C 0.04 N 0.04 C Shift Assignments>> C :: 176.973 CA :: 54.581 CB :: 41.9 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 :: 8.398 HA :: 4.731 HB2 :: 2.743 HB3 :: 2.583 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 :: 114.016 Ave N Shift Values>> N :: 120.65(3.86) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 177.725 CA :: 63.492 CB :: 33.757 CG1 :: 22.326 CG2 :: 21.94 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 :: 7.323 HA :: 4.26 HB :: 2.298 HG11 :: 1.014 HG12 :: 1.014 HG13 :: 1.014 HG21 :: 1.181 HG22 :: 1.181 HG23 :: 1.181 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 :: 123.637 Ave N Shift Values>> N :: 121.14(4.54) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.41 C Shift Assignments>> C :: 176.268 CA :: 62.597 CB :: 72.388 CG2 :: 23.164 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.078 HA :: 4.642 HB :: 4.83 HG1 :: 5.101 HG21 :: 1.486 HG22 :: 1.486 HG23 :: 1.486 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.552 Ave N Shift Values>> N :: 115.42(4.75) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.14 F 0.11 Y 0.11 C Shift Assignments>> C :: 177.216 CA :: 63.041 CB :: 39.494 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 :: 9.247 HA :: 3.434 HB2 :: 2.878 HB3 :: 3.244 HD1 :: 6.744 HD2 :: 6.744 HE1 :: 6.644 HE2 :: 6.644 HH :: 8.474 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 :: 122.486 Ave N Shift Values>> N :: 120.52(4.2) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.46 E 0.03 C Shift Assignments>> C :: 180.453 CA :: 61.445 CB :: 30.159 CG :: 38.564 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 :: 8.782 HA :: 3.679 HB2 :: 2.079 HB3 :: 1.913 HG2 :: 2.497 HG3 :: 2.35 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 :: 116.626 Ave N Shift Values>> N :: 120.67(3.48) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 K 0.18 L 0.11 C 0.1 D 0.06 I 0.05 R 0.02 C Shift Assignments>> C :: 180.015 CA :: 58.219 CB :: 41.234 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 :: 7.916 HA :: 4.372 HB2 :: 2.59 HB3 :: 2.927 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 :: 120.67 Ave N Shift Values>> N :: 120.65(3.86) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 M 0.29 C 0.12 V 0.09 L 0.06 I 0.04 T 0.03 C Shift Assignments>> C :: 179.923 CA :: 56.345 CB :: 19.853 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.318 HA :: 3.84 HB1 :: 1.035 HB2 :: 1.035 HB3 :: 1.035 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.126 Ave N Shift Values>> N :: 123.23(3.54) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 179.106 CA :: 64.379 CB :: 37.291 CG1 :: 28.716 CG2 :: 17.869 CD1 :: 12.822 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 :: 8.151 HA :: 3.468 HB :: 1.573 HG12 :: 0.913 HG13 :: 0.812 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 HD11 :: 0.525 HD12 :: 0.525 HD13 :: 0.525 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 :: 118.85 Ave N Shift Values>> N :: 121.46(4.28) 1.K39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Anomalous PRTL>> C 0.52 R 0.33 K 0.08 G 0.05 C Shift Assignments>> C :: 180.883 CA :: 60.885 CB :: 33.541 CG :: 26.626 CD :: 30.21 CE :: 42.959 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 :: 7.519 HA :: 3.984 HB2 :: 1.884 HB3 :: 1.921 HG2 :: 1.441 HG3 :: 1.63 HD2 :: 1.692 HD3 :: 1.717 HE2 :: 2.638 HE3 :: 2.972 HZ1 :: 6(U) HZ2 :: 6(U) HZ3 :: 6(U) 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 :: 120.585 NZ :: 105.259(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.32 I 0.11 M 0.04 K 0.01 Q 0.01 C Shift Assignments>> C :: 179.969 CA :: 60.006 CB :: 30.741 CG :: 36.588 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 :: 7.911 HA :: 4.316 HB2 :: 2.261 HB3 :: 2.113 HG2 :: 2.502 HG3 :: 2.34 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 :: 121.167 Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.36 K 0.18 G 0.02 C Shift Assignments>> C :: 180.778 CA :: 58.933 CB :: 42.885 CG :: 31.166(S) CD1 :: 26.027 CD2 :: 27.966 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 :: 8.424 HA :: 4.191 HB2 :: 1.613 HB3 :: 1.279 HG :: 0.96 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 121.081 Ave N Shift Values>> N :: 121.86(3.9) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.23 I 0.18 K 0.1 Q 0.07 C Shift Assignments>> C :: 179.911 CA :: 60.359 CB :: 29.022 CG :: 35.452 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 :: 8.971 HA :: 4.029 HB2 :: 2.274 HB3 :: 1.973 HG2 :: 2.595 HG3 :: 2.359 HE21 :: 6.692 HE22 :: 7.171 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 :: 121.129 NE2 :: 110.923 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.29 R 0.14 G 0.02 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 180.898 CA :: 60.644 CB :: 32.464 CG :: 25.333 CD :: 30.162 CE :: 42.548 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 :: 7.769 HA :: 4.007 HB2 :: 1.942 HB3 :: 1.886 HG2 :: 0.819 HG3 :: 1.359 HD2 :: 1.37 HD3 :: 1.502 HE2 :: 2.73 HE3 :: 2.551 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 :: 121.83 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.23 V 0.15 P 0.12 W 0.08 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 179.173 CA :: 63.046 CB :: 29.615 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 :: 8.002 HA :: 3.956 HB2 :: 2.955 HB3 :: 3.036 HD1 :: 7.438 HE1 :: 10.388 HE3 :: 7.452 HZ2 :: 7.584 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 :: 119.737 NE1 :: 130.015 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> P 0.3 V 0.25 T 0.21 I 0.16 C 0.03 F 0.01 C Shift Assignments>> C :: 178.249 CA :: 63.707 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.901 HA :: 4.072 HB2 :: 2.119(S) HB3 :: 0.968(A) HG :: 4.763 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 :: 114.94 Ave N Shift Values>> N :: 116.28(3.52) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.19 K 0.16 Q 0.14 I 0.09 M 0.01 C Shift Assignments>> C :: 179.809 CA :: 59.859 CB :: 29.193 CG :: 34.922 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 :: 7.95 HA :: 4.197 HB2 :: 1.422 HB3 :: 2.206 HG2 :: 2.447 HG3 :: 2.532 HE21 :: 6.812 HE22 :: 7.389 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 :: 121.411 NE2 :: 112.127 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R47 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.37 R 0.08 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 179.464 CA :: 61.047 CB :: 31.993 CG :: 28.543 CD :: 44.458 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 :: 7.834 HA :: 4.051 HB2 :: 1.779 HB3 :: 2.398 HG2 :: 1.815 HG3 :: 1.437 HD2 :: 2.444 HD3 :: 2.269 HE :: 7.235 HH12 :: 6.88 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.809 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD3 > HB3 : 0.9958) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 181.848 CA :: 64.563 CB :: 40.693 CG1 :: 30.073 CG2 :: 19.126 CD1 :: 16.236 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 :: 8.127 HA :: 4.488 HB :: 1.861 HG12 :: 0.177 HG13 :: 0.671 HG21 :: 1.11 HG22 :: 1.11 HG23 :: 1.11 HD11 :: 0.668 HD12 :: 0.668 HD13 :: 0.668 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.569 Ave N Shift Values>> N :: 121.46(4.28) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 A 0.3 C 0.09 I 0.07 V 0.06 L 0.02 T 0.01 C Shift Assignments>> C :: 181.12 CA :: 56.419 CB :: 19.416 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.526 HA :: 4.209 HB1 :: 1.571 HB2 :: 1.571 HB3 :: 1.571 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.538 Ave N Shift Values>> N :: 123.23(3.54) 1.S50 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 :: 176.608 CA :: 60.248 CB :: 65.098 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.124 HA :: 4.428 HB2 :: 4.095 HB3 :: 4.19 HG :: 4.767 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 :: 111.097 Ave N Shift Values>> N :: 116.28(3.52) 1.G51 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 :: 175.699 CA :: 46.431 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.904 HA2 :: 4.244 HA3 :: 3.876 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.581 Ave N Shift Values>> N :: 109.67(3.87) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.2 I 0.08 M 0.04 C Shift Assignments>> C :: 177.647 CA :: 60.088 CB :: 31.623 CG :: 37.482 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 :: 8.204 HA :: 4.003 HB2 :: 2.062 HB3 :: 2.018 HG2 :: 2.232 HG3 :: 2.319 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 :: 122.231 Ave N Shift Values>> N :: 120.67(3.48) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.18 C Shift Assignments>> C :: 175.225 CA :: 59.684 CB :: 36.533 CG1 :: 22.817 CG2 :: 21.71 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 :: 7.274 HA :: 4.579 HB :: 2.13 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 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 :: 111.615 Ave N Shift Values>> N :: 121.14(4.54) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 176.092 CA :: 58.189 CB :: 66.447 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.637 HA :: 4.692 HB2 :: 4.466 HB3 :: 4.095 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.532 Ave N Shift Values>> N :: 116.28(3.52) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.15 F 0.12 Y 0.09 C Shift Assignments>> C :: 177.469 CA :: 63.857 CB :: 40.966 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 :: 9.326 HA :: 3.654 HB2 :: 3.076 HB3 :: 3.03 HD1 :: 7.03 HD2 :: 7.03 HE1 :: 7.222 HE2 :: 7.222 HZ :: 6.9 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 :: 123.609 Ave N Shift Values>> N :: 120.45(4.18) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.45 E 0.03 C Shift Assignments>> C :: 180.852 CA :: 61.367 CB :: 29.83 CG :: 38.52 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 :: 9.464 HA :: 4.205 HB2 :: 2.136 HB3 :: 2.234 HG2 :: 2.698 HG3 :: 2.596 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 :: 116.994 Ave N Shift Values>> N :: 120.67(3.48) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 E 0.16 I 0.14 M 0.03 C Shift Assignments>> C :: 179.899 CA :: 60.013 CB :: 31.185 CG :: 37.921 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 :: 7.978 HA :: 4.023 HB2 :: 2.246 HB3 :: 1.963 HG2 :: 1.975 HG3 :: 1.95 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 :: 122.452 Ave N Shift Values>> N :: 120.67(3.48) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.22 C 0.12 L 0.08 V 0.07 T 0.02 I 0.02 C Shift Assignments>> C :: 179.854 CA :: 55.881 CB :: 20.06 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.157 HA :: 3.581 HB1 :: 1.165 HB2 :: 1.165 HB3 :: 1.165 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.053 Ave N Shift Values>> N :: 123.23(3.54) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.17 I 0.11 C 0.03 V 0.01 C Shift Assignments>> C :: 181.08 CA :: 56.418 CB :: 18.042 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.54 HA :: 3.552 HB1 :: 1.117 HB2 :: 1.117 HB3 :: 1.117 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.029 Ave N Shift Values>> N :: 123.23(3.54) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 176.299 CA :: 62.414 CB :: 64.687 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.013 HA :: 4.766 HB2 :: 4.094 HB3 :: 4.037 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 :: 113.01 Ave N Shift Values>> N :: 116.28(3.52) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.31 M 0.18 Q 0.07 K 0.01 I 0.01 C Shift Assignments>> C :: 178.579 CA :: 58.366 CB :: 31.376 CG :: 35.55 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 :: 7.496 HA :: 4.13 HB2 :: 1.944 HB3 :: 1.812 HG2 :: 2.589 HG3 :: 2.397 HE21 :: 6.87 HE22 :: 7.442 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.83 NE2 :: 111.391 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> R 0.39 C 0.3 K 0.15 G 0.15 C Shift Assignments>> C :: 176.601 CA :: 52.631 CB :: 32.656 CG :: 28.02 CD :: 43.247 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 :: 7.693 HA :: 4.461 HB2 :: 0.536(S) HB3 :: 0.381(S) HG2 :: 1.151 HG3 :: 0.949 HD2 :: 3.051 HD3 :: 3.35 HE :: 8.256 HH11 :: 7.326 HH12 :: 6.897 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 :: 115.716 NE :: 112.212(A) 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.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 177.034 CA :: 59.677 CB :: 65.786 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.528 HA :: 4.222 HB2 :: 4.183 HB3 :: 3.867 HG :: 6.889 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 :: 114.68 Ave N Shift Values>> N :: 116.28(3.52) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.31 G 0.08 D 0.07 F 0.06 C 0.05 Y 0.03 K 0.03 C Shift Assignments>> C :: 176.674 CA :: 55.991 CB :: 43.657 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 :: 9.645 HA :: 4.899 HB2 :: 2.882 HB3 :: 2.339 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 :: 123.612 Ave N Shift Values>> N :: 120.65(3.86) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.17 E 0.11 R 0.09 V 0.09 H 0.08 I 0.06 Q 0.05 K 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 177.747 CA :: 60.118 CB :: 30.459 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.903 HA :: 4.445 HB2 :: 2.877 HB3 :: 2.435 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 :: 124.716 Ave N Shift Values>> N :: 120.17(4.64) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.69 A 0.14 N 0.06 G 0.03 C 0.02 D 0.01 C Shift Assignments>> C :: 175.872 CA :: 48.942 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.811 HA2 :: 4.259 HA3 :: 3.927 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.503 Ave N Shift Values>> N :: 109.67(3.87) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 178.404 CA :: 61.611 CB :: 64.297 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.556 HA :: 4.245 HB2 :: 3.971 HB3 :: 3.858 HG :: 4.763 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.316 Ave N Shift Values>> N :: 116.28(3.52) 1.Y68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.47 C 0.27 Y 0.09 F 0.05 V 0.05 E 0.03 C Shift Assignments>> C :: 177.613 CA :: 62.392 CB :: 36.797 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.584 HA :: 4.031 HB2 :: 3.57 HB3 :: 3.274 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 7.536(S) HE2 :: 7.536(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.376 Ave N Shift Values>> N :: 120.52(4.2) 1.A69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.68 M 0.25 C 0.03 L 0.01 C Shift Assignments>> C :: 179.011 CA :: 54.29 CB :: 19.121 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 5.645(S) HA :: 3.645 HB1 :: 0.902 HB2 :: 0.902 HB3 :: 0.902 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.673 Ave N Shift Values>> N :: 123.23(3.54) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.32 CA :: 57.287 CB :: 64.538 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.654 HA :: 4.782 HB2 :: 4.013 HB3 :: 3.863 HG :: 5.949 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 :: 114.496 Ave N Shift Values>> N :: 116.28(3.52) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 G 0.18 A 0.15 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 174.379 CA :: 48.434 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.933 HA2 :: 3.938 HA3 :: 4.006 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.182 Ave N Shift Values>> N :: 109.67(3.87) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.121 CA :: 46.072 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.994 HA2 :: 4.428 HA3 :: 3.839 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.425 Ave N Shift Values>> N :: 109.67(3.87) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.19 R 0.18 D 0.12 F 0.09 Y 0.06 C 0.05 C Shift Assignments>> C :: 177.362 CA :: 56.123 CB :: 42.451 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 :: 6.956 HA :: 4.414 HB2 :: 2.898 HB3 :: 2.876 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.815 Ave N Shift Values>> N :: 120.65(3.86) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.34 L 0.13 R 0.08 C Shift Assignments>> C :: 179.412 CA :: 56.134 CB :: 44.842 CG :: 27.526 CD1 :: 23.526 CD2 :: 27.421 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 :: 8.694 HA :: 4.355 HB2 :: 1.917 HB3 :: 1.51 HG :: 1.793 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.191 HD22 :: 0.191 HD23 :: 0.191 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 :: 128.72 Ave N Shift Values>> N :: 121.86(3.9) 1.G75 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 :: 173.473 CA :: 45.346 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.682 HA2 :: 4.253 HA3 :: 3.447 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.695 Ave N Shift Values>> N :: 109.67(3.87) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.21 Y 0.18 C 0.11 I 0.08 L 0.07 R 0.06 D 0.02 C Shift Assignments>> C :: 178.904 CA :: 59.456 CB :: 41.817 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 :: 8.203 HA :: 5.219 HB3 :: 2.825 HD1 :: 7.425 HD2 :: 7.425 HE1 :: 7.973 HE2 :: 7.973 HZ :: 7.101 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.646 Ave N Shift Values>> N :: 120.45(4.18) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.19 F 0.11 D 0.09 Y 0.08 C 0.06 C Shift Assignments>> C :: 174.331 CA :: 56.896 CB :: 42.463 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 :: 9.112 HA :: 5.137 HB3 :: 3.103 HD1 :: 7.292 HD2 :: 7.292 HE1 :: 7.092 HE2 :: 7.092 HZ :: 6.972 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.508 Ave N Shift Values>> N :: 120.45(4.18) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> C :: 176.191 CA :: 58.065 CB :: 66.514 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.93 HA :: 4.957 HB2 :: 3.989 HB3 :: 3.766 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 :: 116.578 Ave N Shift Values>> N :: 116.28(3.52) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.946 CA :: 60.988 CB :: 64.242 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.751 HA :: 4.42 HB2 :: 4.032 HB3 :: 3.878 HG :: 4.764 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.715 Ave N Shift Values>> N :: 116.28(3.52) 1.G80 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 :: 175.628 CA :: 46.632 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.009 HA2 :: 4.32 HA3 :: 3.938 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.069 Ave N Shift Values>> N :: 109.67(3.87) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 E 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 178.456 CA :: 59.727 CB :: 32.721 CG :: 38.747 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 :: 7.812 HA :: 4.231 HB2 :: 2.231 HB3 :: 2.563 HG2 :: 2.335 HG3 :: 2.217 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 :: 120.322 Ave N Shift Values>> N :: 120.67(3.48) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.26 C 0.17 HN Overlap>> 1.F14 1.F14 C Shift Assignments>> C :: 176.991 CA :: 53.174 CB :: 34.386 CG :: 33.166 CE :: 18.363 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 :: 8.601 HA :: 4.569 HB2 :: 1.711 HB3 :: 1.442 HG2 :: 2.253 HG3 :: 2.505 HE1 :: 1.135 HE2 :: 1.135 HE3 :: 1.135 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 :: 117.156 Ave N Shift Values>> N :: 120.09(3.57) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.14 E 0.02 Q 0.02 C Shift Assignments>> C :: 178.979 CA :: 58.32 CB :: 34.339 CG :: 34.403 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 :: 8.413 HA :: 4.273 HB2 :: 1.967 HB3 :: 2.222 HG3 :: 2.806 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.413 Ave N Shift Values>> N :: 120.09(3.57) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.12 I 0.09 R 0.05 G 0.01 C Shift Assignments>> C :: 175.267 CA :: 62.461 CB :: 31.435 CE :: 41.807 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 :: 9.099 HA :: 4.74 HB3 :: 1.986 HE2 :: 2.974 HE3 :: 3.253 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.834 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.86 P 0.13 C Shift Assignments>> C :: 180.671 CA :: 66.743 CB :: 32.256 CG :: 30.006 CD :: 51.037 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 :: 4.465 HB2 :: 2.481 HB3 :: 1.648 HG3 :: 2.197 HD2 :: 3.629 HD3 :: 3.9 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.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 F 0.24 Y 0.19 C 0.15 K 0.08 R 0.01 L 0.01 C Shift Assignments>> C :: 177.086 CA :: 61.484 CB :: 41.51 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 :: 7.102 HA :: 3.647 HB2 :: 2.366 HB3 :: 3.465 HD1 :: 7.238 HD2 :: 7.238 HE1 :: 7.329 HE2 :: 7.329 HZ :: 6.513 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 :: 116.583 Ave N Shift Values>> N :: 120.45(4.18) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.34 E 0.07 HN Overlap>> 1.I48 1.I48 C Shift Assignments>> C :: 179.102 CA :: 61.857 CB :: 30.784 CG :: 37.898 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 :: 8.126 HA :: 3.724 HB2 :: 1.486 HB3 :: 2.114 HG2 :: 2.295 HG3 :: 1.884 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 :: 120.506 Ave N Shift Values>> N :: 120.67(3.48) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 K 0.14 C 0.11 L 0.1 I 0.06 D 0.06 R 0.01 C Shift Assignments>> C :: 180.067 CA :: 58.304 CB :: 41.026 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.121 HA :: 4.235 HB3 :: 2.572 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.355 Ave N Shift Values>> N :: 120.65(3.86) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.21 C 0.12 L 0.09 V 0.06 T 0.02 I 0.02 C Shift Assignments>> C :: 181.131 CA :: 55.845 CB :: 20.099 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.154 HA :: 4.072 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.718 Ave N Shift Values>> N :: 123.23(3.54) 1.V90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 V 0.04 C Shift Assignments>> C :: 178.908 CA :: 67.754 CB :: 32.349 CG1 :: 26.113(S) CG2 :: 24.238 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 :: 7.797 HA :: 3.415 HB :: 2.256 HG11 :: 0.885 HG12 :: 0.885 HG13 :: 0.885 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.315 Ave N Shift Values>> N :: 121.14(4.54) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.24 R 0.24 C Shift Assignments>> C :: 177.858 CA :: 60.466 CB :: 31.088 CG :: 27.689 CD :: 44.206 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 :: 8.154 HA :: 3.854 HB2 :: 1.872 HB3 :: 1.651 HG2 :: 1.908 HG3 :: 1.849 HD3 :: 3.268 HE :: 7.556 HH12 :: 6.84 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 :: 116.826 NE :: 85.241 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.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.07 L 0.04 C 0.04 C Shift Assignments>> C :: 178.452 CA :: 53.477 CB :: 20.147 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.067 HA :: 4.293 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.849 Ave N Shift Values>> N :: 123.23(3.54) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.29 L 0.14 R 0.06 A 0.01 C Shift Assignments>> C :: 179.045 CA :: 55.163 CB :: 44.932 CG :: 26.531 CD1 :: 23.865 CD2 :: 27.643 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 :: 7.396 HA :: 4.514 HB2 :: 1.89 HB3 :: 1.618 HG :: 2.078 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.871 Ave N Shift Values>> N :: 121.86(3.9) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.32 R 0.31 G 0.01 C Shift Assignments>> C :: 178.629 CA :: 56.294 CB :: 33.395 CG :: 25.79 CD :: 29.885 CE :: 42.694 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 :: 8.274 HA :: 4.408 HB2 :: 1.741 HB3 :: 1.514 HG2 :: 1.445 HG3 :: 0.895 HD2 :: 1.941 HD3 :: 1.725 HE3 :: 3.043 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 :: 121.289 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 178.406 CA :: 66.294 CB :: 38.162 CG1 :: 30.675 CG2 :: 18.793 CD1 :: 14.381 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 :: 8.396 HA :: 3.065 HB :: 1.635 HG12 :: 1.506 HG13 :: 0.736 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 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 :: 122.343 Ave N Shift Values>> N :: 121.46(4.28) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.605 CA :: 46.173 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.988 HA2 :: 4.436 HA3 :: 3.489 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.074 Ave N Shift Values>> N :: 109.67(3.87) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.26 G 0.15 D 0.08 C 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 175.344 CA :: 55.037 CB :: 43.953 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 :: 7.978 HA :: 4.795 HB2 :: 2.973 HB3 :: 2.729 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.984 Ave N Shift Values>> N :: 120.65(3.86) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.34 C Shift Assignments>> C :: 178.147 CA :: 60.336 CB :: 41.293 CG1 :: 29.414 CG2 :: 18.937 CD1 :: 15.295 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 :: 8.048 HA :: 5.16 HB :: 1.662 HG12 :: 1.657 HG13 :: 0.835 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 HD11 :: 1.065 HD12 :: 1.065 HD13 :: 1.065 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 :: 117.483 Ave N Shift Values>> N :: 121.46(4.28) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.735 CA :: 59.441 CB :: 64.572 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.722 HA :: 4.526 HB2 :: 4.326 HB3 :: 3.637 HG :: 5.938 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 :: 126.778 Ave N Shift Values>> N :: 116.28(3.52) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 176.647 CA :: 63.128 CB :: 33.439 CG :: 28.377 CD :: 50.965 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 :: 4.819 HB2 :: 2.444 HB3 :: 2.014 HG2 :: 2.016 HG3 :: 1.856 HD2 :: 3.615 HD3 :: 3.742 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.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 178.021 CA :: 65.141 CB :: 38.97 CG1 :: 29.981 CG2 :: 18.923 CD1 :: 15.736 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 :: 8.199 HA :: 4.307 HB :: 1.681 HG12 :: 1.803 HG13 :: 0.969 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.048 Ave N Shift Values>> N :: 121.46(4.28) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.25 C Shift Assignments>> C :: 175.118 CA :: 61.807 CB :: 37.383 CG1 :: 21.635 CG2 :: 21.843 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.285 HA :: 4.357 HB :: 1.735 HG11 :: 0.713 HG12 :: 0.713 HG13 :: 0.713 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.676 Ave N Shift Values>> N :: 121.14(4.54) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.26 Q 0.22 E 0.17 K 0.06 C Shift Assignments>> C :: 176.704 CA :: 56.06 CB :: 31.032 CG :: 34.58 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 :: 8.9 HA :: 5.449 HB2 :: 2.115 HB3 :: 1.938 HG2 :: 2.275 HG3 :: 2.528 HE21 :: 6.925 HE22 :: 8.087 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.464 NE2 :: 110.417 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 T 0.48 C Shift Assignments>> C :: 177.189 CA :: 61.836 CB :: 73.663 CG2 :: 21.896 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 :: 9.275 HA :: 4.978 HB :: 4.943 HG1 :: 6.208 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 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 :: 116.68 Ave N Shift Values>> N :: 115.42(4.75) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.17 L 0.15 Y 0.13 R 0.1 C 0.08 D 0.06 I 0.02 C Shift Assignments>> C :: 179.034 CA :: 57.955 CB :: 42.016 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 :: 8.945 HA :: 4.578 HB2 :: 2.771 HB3 :: 2.721 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.651 Ave N Shift Values>> N :: 120.65(3.86) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 177.224 CA :: 62.788 CB :: 64.767 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.968 HA :: 4.642 HB2 :: 3.908 HB3 :: 3.965 HG :: 4.766 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 :: 114.257 Ave N Shift Values>> N :: 116.28(3.52) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 169.468 CA :: 46.698 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.829 HA2 :: 4.2 HA3 :: 3.984 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.288 Ave N Shift Values>> N :: 109.67(3.87) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.26 L 0.14 A 0.01 R 0.01 C Shift Assignments>> C :: 175.948 CA :: 54.276 CB :: 45.775 CG :: 27.856 CD1 :: 27.311 CD2 :: 24.02 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 :: 8.143 HA :: 5.371 HB2 :: 1.613 HB3 :: 1.104 HG :: 1.416 HD11 :: 0.198 HD12 :: 0.198 HD13 :: 0.198 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 122.506 Ave N Shift Values>> N :: 121.86(3.9) 1.H109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.23 Q 0.22 C 0.17 K 0.17 H 0.05 R 0.05 W 0.02 E 0.02 V 0.01 C Shift Assignments>> C :: 179.186 CA :: 55.38 CB :: 33.838 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 :: 9.764 HA :: 6.095(S) HB2 :: 2.929 HB3 :: 3.049 HD1 :: 7.153 HD2 :: 7.257 HE1 :: 7.269 HE2 :: 8.206 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.518 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.37 G 0.15 C Shift Assignments>> C :: 176.666 CA :: 64.437 CB :: 42.736 CG1 :: 27.382 CG2 :: 19.657 CD1 :: 14.2 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 :: 8.117 HA :: 4.459 HB :: 1.883 HG12 :: 1.165 HG13 :: 1.716 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 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 :: 113.128 Ave N Shift Values>> N :: 121.46(4.28) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 G 0.29 I 0.05 C Shift Assignments>> C :: 173.792 CA :: 61.984 CB :: 43.683 CG1 :: 29.015 CG2 :: 19.725 CD1 :: 15.885 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 :: 8.604 HA :: 4.77 HB :: 1.253 HG12 :: 0.551 HG13 :: 1.24 HG21 :: 0.509 HG22 :: 0.509 HG23 :: 0.509 HD11 :: -0.069 HD12 :: -0.069 HD13 :: -0.069 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 :: 125.121 Ave N Shift Values>> N :: 121.46(4.28) 1.K112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.52 C 0.4 G 0.05 K 0.01 C Shift Assignments>> C :: 177.267 CA :: 54.375 CB :: 36.513 CG :: 25.921 CD :: 31.519 CE :: 42.874 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 :: 9.075 HA :: 5.173 HB2 :: 0.143(S) HB3 :: 0.674(S) HG2 :: 0.581 HG3 :: 0.712 HD2 :: 1.618 HD3 :: 1.108 HE2 :: 2.679 HE3 :: 2.711 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.966 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.27 R 0.03 K 0.01 C Shift Assignments>> C :: 176.109 CA :: 58.823 CB :: 31.857 CG :: 30.381 CD :: 44.231 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 :: 7.83 HA :: 4.335 HB2 :: 1.676 HB3 :: 2.073 HG2 :: 1.449 HG3 :: 1.718 HD2 :: 2.684 HD3 :: 3.56 HE :: 7.508 HH11 :: 6.828 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 :: 126.762 NE :: 85.276 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.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.3 L 0.18 R 0.05 A 0.01 C Shift Assignments>> C :: 176.857 CA :: 55.992 CB :: 45.139 CG :: 28.325 CD1 :: 26.27 CD2 :: 23.296 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 :: 8.534 HA :: 4.623 HB2 :: 0.936 HB3 :: 1.455 HG :: 1.515 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 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 :: 128.545 Ave N Shift Values>> N :: 121.86(3.9) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.16 A 0.07 K 0.07 V 0.03 T 0.02 C Shift Assignments>> C :: 182.152 CA :: 55.517 CB :: 22.466 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.244 HA :: 4.043 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.473 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 99 #Clerical: 2 #Suspicious: 9 #Anomalous: 3 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 2 C Shift Results: #Consistent: 445 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 770 #Duplicate: 0 #Unknown: 9 #Suspicious: 13 #Anomalous: 1 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.K4 HZ1 = 8.626(U) 1.K4 HZ2 = 8.626(U) 1.K4 HZ3 = 8.626(U) 1.R6 HB2 = 0.801(S), Expected = 1.79, Std = 0.2700, ChiSquare = 2.4931e-04 1.R6 HD3 = 1.716(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.0203e-07 1.R6 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.A8 HA = 5.79(S), Expected = 4.26, Std = 0.4400, ChiSquare = 5.0654e-04 1.H9 Typing: Mistyped 1.H9 CB = 38.732(S), Expected = 30.24, Std = 2.0700, ChiSquare = 4.0886e-05 1.H9 HA = 6.129(S), Expected = 4.61, Std = 0.4300, ChiSquare = 4.1156e-04 1.L10 CG = 30.614(S), Expected = 26.78, Std = 1.1000, ChiSquare = 4.9130e-04 1.K13 HZ1 = 7.324(U) 1.K13 HZ2 = 7.324(U) 1.K13 HZ3 = 7.324(U) 1.K39 HZ1 = 6(U) 1.K39 HZ2 = 6(U) 1.K39 HZ3 = 6(U) 1.K39 NZ = 105.259(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.L41 Typing: Mistyped 1.L41 CG = 31.166(S), Expected = 26.78, Std = 1.1000, ChiSquare = 6.6837e-05 1.S45 HB2 = 2.119(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.8680e-12 1.S45 HB3 = 0.968(A), Expected = 3.85, Std = 0.2700, ChiSquare = 1.3459e-26 1.R47 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R62 HB2 = 0.536(S), Expected = 1.79, Std = 0.2700, ChiSquare = 3.4099e-06 1.R62 HB3 = 0.381(S), Expected = 1.76, Std = 0.2800, ChiSquare = 8.4360e-07 1.R62 NE = 112.212(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.4251e-60 1.Y68 HE1 = 7.536(S), Expected = 6.70, Std = 0.2300, ChiSquare = 2.7822e-04 1.Y68 HE2 = 7.536(S), Expected = 6.71, Std = 0.2300, ChiSquare = 3.2903e-04 1.A69 H = 5.645(S), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0596e-05 1.V90 CG1 = 26.113(S), Expected = 21.49, Std = 1.3600, ChiSquare = 6.7567e-04 1.H109 HA = 6.095(S), Expected = 4.61, Std = 0.4300, ChiSquare = 5.5339e-04 1.K112 HB2 = 0.143(S), Expected = 1.78, Std = 0.2500, ChiSquare = 5.8313e-11 1.K112 HB3 = 0.674(S), Expected = 1.74, Std = 0.2700, ChiSquare = 7.8758e-05