Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 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>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.394 CA :: 54.370 CB :: 41.171 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 :: 4.692 HB2 :: 2.720 HB3 :: 2.656 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.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 C Shift Assignments>> C :: 177.405 CA :: 56.976 CB :: 32.693 CG :: 24.746 CD :: 29.010 CE :: 42.025 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.499 HA :: 4.265 HB2 :: 1.881 HB3 :: 1.787 HG2 :: 1.442 HG3 :: 1.442 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.990 HE3 :: 2.990 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 :: 122.390 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.815 CA :: 45.486 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.495 HA2 :: 3.923 HA3 :: 3.923 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.651 Ave N Shift Values>> N :: 109.67(3.87) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 178.104 CA :: 52.763 CB :: 19.263 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.055 HA :: 4.319 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.889 Ave N Shift Values>> N :: 123.23(3.54) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.625 CA :: 62.896 CB :: 32.600 CG1 :: 21.172 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 :: 8.051 HA :: 4.016 HB :: 2.072 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 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 :: 119.472 Ave N Shift Values>> N :: 121.14(4.54) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 176.515 CA :: 56.931 CB :: 32.685 CG :: 24.675 CD :: 29.098 CE :: 42.025 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 :: 8.313 HA :: 4.254 HB2 :: 1.866 HB3 :: 1.785 HG2 :: 1.437 HG3 :: 1.437 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.991 HE3 :: 2.991 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 :: 124.993 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 177.816 CA :: 52.716 CB :: 19.120 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.204 HA :: 4.265 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.495 Ave N Shift Values>> N :: 123.23(3.54) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.02 G 0.02 C Shift Assignments>> C :: 177.521 CA :: 55.458 CB :: 42.317 CD1 :: 24.999 CD2 :: 23.424 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 :: 8.101 HA :: 4.272 HB2 :: 1.658 HB3 :: 1.581 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.873 HD22 :: 0.873 HD23 :: 0.873 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 :: 121.309 Ave N Shift Values>> N :: 121.86(3.9) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.11 K 0.07 C Shift Assignments>> CA :: 56.278 CB :: 30.639 CG :: 27.147 CD :: 43.419 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 :: 8.232 HA :: 4.319 HB2 :: 1.819 HB3 :: 1.819 HG2 :: 1.587 HG3 :: 1.632 HD2 :: 3.186 HD3 :: 3.186 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 :: 121.550 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.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 G 0.02 A 0.01 C Shift Assignments>> C :: 177.078 CA :: 55.279 CB :: 42.319 CD1 :: 23.903 CD2 :: 24.534 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 :: 8.197 HA :: 4.321 HB2 :: 1.659 HB3 :: 1.591 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.918 HD22 :: 0.918 HD23 :: 0.918 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 :: 122.855 Ave N Shift Values>> N :: 121.86(3.9) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.35 M 0.1 E 0.08 R 0.03 C Shift Assignments>> C :: 175.187 CA :: 55.802 CB :: 29.548 CG :: 33.686 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 :: 8.232 HA :: 4.250 HB2 :: 1.977 HB3 :: 1.911 HG2 :: 2.268 HG3 :: 2.268 HE21 :: 7.137 HE22 :: 6.738 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.212 NE2 :: 113.527 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.19 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.744 CA :: 53.118 CB :: 38.856 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 :: 8.293 HA :: 4.643 HB2 :: 2.764 HB3 :: 2.683 HD21 :: 7.566 HD22 :: 6.862 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 :: 119.229 ND2 :: 112.768 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> C :: 175.220 CA :: 57.870 CB :: 39.607 CD1 :: 131.885 CD2 :: 131.885 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 :: 8.126 HA :: 4.613 HB2 :: 3.191 HB3 :: 3.002 HD1 :: 7.247 HD2 :: 7.247 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.374 Ave N Shift Values>> N :: 120.45(4.18) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.153 CA :: 54.401 CB :: 41.166 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 :: 8.336 HA :: 4.636 HB2 :: 2.708 HB3 :: 2.590 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 :: 121.757 Ave N Shift Values>> N :: 120.65(3.86) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q92 1.Q92 C Shift Assignments>> C :: 176.448 CA :: 62.368 CB :: 32.655 CG1 :: 20.263 CG2 :: 20.263 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 :: 8.071 HA :: 4.199 HB :: 2.175 HG11 :: 0.957 HG12 :: 0.957 HG13 :: 0.957 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 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 :: 119.947 Ave N Shift Values>> N :: 121.14(4.54) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.623 CA :: 61.961 CB :: 69.745 CG2 :: 21.610 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 :: 8.285 HA :: 4.394 HB :: 4.261 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 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 :: 116.901 Ave N Shift Values>> N :: 115.42(4.75) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.020 CA :: 58.114 CB :: 64.094 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.213 HA :: 4.480 HB2 :: 3.819 HB3 :: 3.819 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 :: 117.913 Ave N Shift Values>> N :: 116.28(3.52) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 N 0.11 K 0.1 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.965 CA :: 54.319 CB :: 41.116 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 :: 2.712 HB3 :: 2.590 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 :: 122.728 Ave N Shift Values>> N :: 120.65(3.86) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.113 CA :: 61.008 CB :: 38.904 CG1 :: 27.162 CG2 :: 17.545 CD1 :: 13.005 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 :: 8.040 HA :: 4.213 HB :: 1.874 HG12 :: 1.447 HG13 :: 1.170 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 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 :: 120.615 Ave N Shift Values>> N :: 121.46(4.28) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.447 CA :: 58.096 CB :: 63.956 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.373 HA :: 4.471 HB2 :: 3.869 HB3 :: 3.811 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 :: 120.205 Ave N Shift Values>> N :: 116.28(3.52) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 F 0.13 N 0.1 Y 0.1 K 0.09 HN Overlap>> 1.E56 1.Q58 1.E56 1.Q58 C Shift Assignments>> C :: 175.522 CA :: 54.840 CB :: 40.904 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 :: 8.390 HA :: 4.575 HB2 :: 2.666 HB3 :: 2.575 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 :: 123.180 Ave N Shift Values>> N :: 120.65(3.86) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.17 F 0.1 Y 0.08 K 0.06 C Shift Assignments>> C :: 175.133 CA :: 54.039 CB :: 40.766 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 :: 8.150 HA :: 4.459 HB2 :: 2.566 HB3 :: 2.566 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 :: 119.353 Ave N Shift Values>> N :: 120.65(3.86) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.3 L 0.15 F 0.07 Y 0.06 K 0.02 C Shift Assignments>> C :: 174.033 CA :: 53.114 CB :: 40.400 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 :: 8.000 HA :: 4.760 HB2 :: 2.686 HB3 :: 2.686 HD21 :: 7.712 HD22 :: 6.948 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 :: 117.615 ND2 :: 113.461 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 HN Overlap>> 1.D86 1.D86 C Shift Assignments>> C :: 175.147 CA :: 57.500 CB :: 40.380 CD1 :: 131.092 CD2 :: 131.092 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 :: 8.408 HA :: 4.696 HB2 :: 2.700 HB3 :: 2.235 HD1 :: 6.518 HD2 :: 6.518 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.004 Ave N Shift Values>> N :: 120.45(4.18) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 I 0.11 M 0.02 C Shift Assignments>> C :: 175.039 CA :: 60.225 CB :: 36.131 CG1 :: 21.162 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 :: 8.431 HA :: 4.383 HB :: 2.023 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.454 Ave N Shift Values>> N :: 121.14(4.54) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.095 CA :: 63.173 CB :: 38.205 CG1 :: 28.606 CG2 :: 17.809 CD1 :: 12.961 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 :: 8.847 HA :: 3.974 HB :: 1.353 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: -0.139 HD12 :: -0.139 HD13 :: -0.139 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 :: 127.849 Ave N Shift Values>> N :: 121.46(4.28) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.31 D 0.1 K 0.08 F 0.07 Y 0.04 G 0.04 C Shift Assignments>> C :: 176.730 CA :: 55.793 CB :: 43.241 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 :: 8.702 HA :: 4.221 HB2 :: 3.571 HB3 :: 2.238 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 :: 131.502 Ave N Shift Values>> N :: 120.65(3.86) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.18 G 0.01 HN Overlap>> 1.S50 1.S50 1.S69 1.S69 C Shift Assignments>> C :: 177.181 CA :: 58.598 CB :: 32.528 CG :: 24.702 CD :: 29.137 CE :: 42.114 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 :: 8.580 HA :: 3.964 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.449 HG3 :: 1.449 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.744 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.23 L 0.16 F 0.11 Y 0.09 K 0.02 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 174.802 CA :: 54.073 CB :: 40.298 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 :: 8.442 HA :: 4.809 HB2 :: 2.764 HB3 :: 2.764 HD21 :: 7.031 HD22 :: 7.914 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 :: 116.501 ND2 :: 115.567 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.29 K 0.12 R 0.08 N 0.07 F 0.05 Y 0.03 C Shift Assignments>> C :: 174.919 CA :: 53.138 CB :: 42.119 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 :: 7.869 HA :: 4.420 HB2 :: 2.480 HB3 :: 2.618 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 :: 119.894 Ave N Shift Values>> N :: 120.65(3.86) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.732 CA :: 60.865 CB :: 63.408 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.580 HA :: 4.153 HB2 :: 3.747 HB3 :: 3.633 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 :: 119.315 Ave N Shift Values>> N :: 116.28(3.52) 1.R33 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.55 K 0.23 L 0.11 G 0.08 C Shift Assignments>> C :: 174.167 CA :: 55.427 CB :: 29.181 CD :: 43.279 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 :: 8.179 HA :: 4.610 HB2 :: 2.321 HB3 :: 2.321 HD2 :: 3.161 HD3 :: 3.161 HE :: 7.966 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 :: 116.945 NE :: 117.988(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.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.26 G 0.04 C Shift Assignments>> C :: 174.543 CA :: 54.067 CB :: 36.084 CG :: 26.271 CD :: 29.361 CE :: 42.469 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 :: 8.027 HA :: 5.624 HB2 :: 1.732 HB3 :: 1.912 HG2 :: 1.211 HG3 :: 1.274 HD2 :: 1.580 HD3 :: 1.580 HE2 :: 2.880 HE3 :: 2.880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.357 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 A 0.18 G 0.07 C Shift Assignments>> C :: 174.208 CA :: 57.835 CB :: 42.292 CG2 :: 18.316 CD1 :: 13.305 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 :: 9.093 HA :: 4.887 HB :: 1.877 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 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 :: 119.593 Ave N Shift Values>> N :: 121.46(4.28) 1.D36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.38 D 0.36 L 0.13 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 174.945 CA :: 52.014 CB :: 40.422 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 :: 9.795 HA :: 5.694(S) HB2 :: 2.794 HB3 :: 3.005 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 :: 127.357 Ave N Shift Values>> N :: 120.65(3.86) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.874 CA :: 58.258 CB :: 40.769 CD1 :: 132.305 CD2 :: 132.305 CE1 :: 117.992 CE2 :: 117.992 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 :: 8.865 HA :: 4.728 HB2 :: 2.847 HB3 :: 2.680 HD1 :: 6.212 HD2 :: 6.212 HE1 :: 6.030 HE2 :: 6.030 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 :: 124.149 Ave N Shift Values>> N :: 120.52(4.2) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 A 0.16 C Shift Assignments>> C :: 175.388 CA :: 55.797 CB :: 30.284 CG :: 32.237 CE :: 16.553 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 :: 8.859 HA :: 3.695 HB2 :: 1.219 HB3 :: 1.864 HG2 :: 1.432 HG3 :: 1.516 HE1 :: 1.830 HE2 :: 1.830 HE3 :: 1.830 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 :: 127.425 Ave N Shift Values>> N :: 120.09(3.57) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.806 CA :: 45.560 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.819 HA2 :: 3.577 HA3 :: 4.087 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.078 Ave N Shift Values>> N :: 109.67(3.87) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.27 N 0.1 R 0.08 K 0.06 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.349 CA :: 51.308 CB :: 42.306 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 :: 8.270 HA :: 5.100 HB2 :: 3.115 HB3 :: 2.376 HD21 :: 7.549 HD22 :: 7.182 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 :: 118.656 ND2 :: 114.915 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.F67 1.F67 C Shift Assignments>> C :: 174.033 CA :: 60.535 CB :: 39.978 CG1 :: 27.387 CG2 :: 18.475 CD1 :: 12.858 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 :: 8.741 HA :: 4.986 HB :: 1.638 HG12 :: 1.222 HG13 :: 1.515 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 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 :: 122.068 Ave N Shift Values>> N :: 121.46(4.28) 1.Y42 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.501 CA :: 56.078 CB :: 40.734 CD1 :: 127.451(S) CD2 :: 127.451(S) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.607 HA :: 4.957 HB2 :: 2.884 HB3 :: 2.067 HD1 :: 6.391 HD2 :: 6.391 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.112 Ave N Shift Values>> N :: 120.52(4.2) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.784 CA :: 56.800 CB :: 64.448 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.956 HA :: 4.874 HB2 :: 3.794 HB3 :: 3.692 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 :: 116.895 Ave N Shift Values>> N :: 116.28(3.52) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.043 CA :: 63.520 CB :: 37.591 CG1 :: 28.324 CG2 :: 18.348 CD1 :: 14.450 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 :: 8.964 HA :: 3.844 HB :: 2.108 HG12 :: 1.822 HG13 :: 1.822 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 HD11 :: 1.163 HD12 :: 1.163 HD13 :: 1.163 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.456 Ave N Shift Values>> N :: 121.46(4.28) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.21 HN Overlap>> 1.R106 1.R106 C Shift Assignments>> C :: 172.440 CA :: 58.409 CB :: 66.527 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.591 HA :: 4.786 HB2 :: 4.332 HB3 :: 4.189 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 :: 126.790 Ave N Shift Values>> N :: 116.28(3.52) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.1 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> C :: 177.481 CA :: 53.773 CB :: 41.195 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 :: 8.253 HA :: 4.815 HB2 :: 2.851 HB3 :: 2.719 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 :: 114.620 Ave N Shift Values>> N :: 120.65(3.86) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.349 CA :: 63.605 CB :: 69.813 CG2 :: 21.770 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 :: 8.523 HA :: 4.131 HB :: 4.126 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 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 :: 121.477 Ave N Shift Values>> N :: 115.42(4.75) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.463 CA :: 63.080 CB :: 70.216 CG2 :: 22.203 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 :: 8.746 HA :: 4.786 HB :: 3.981 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 :: 126.069 Ave N Shift Values>> N :: 115.42(4.75) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.530 CA :: 61.757 CB :: 32.703 CG1 :: 20.938 CG2 :: 21.707 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 :: 8.408 HA :: 3.906 HB :: 1.592 HG11 :: 0.753 HG12 :: 0.753 HG13 :: 0.753 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 129.944 Ave N Shift Values>> N :: 121.14(4.54) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 175.122 CA :: 58.247 CB :: 64.651 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.652 HA :: 4.364 HB2 :: 4.140 HB3 :: 3.943 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 :: 123.783 Ave N Shift Values>> N :: 116.28(3.52) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.29 L 0.12 D 0.11 I 0.07 K 0.05 N 0.01 C Shift Assignments>> C :: 178.664 CA :: 57.603 CB :: 40.336 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 :: 8.737 HA :: 4.163 HB2 :: 2.624 HB3 :: 2.624 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 :: 121.758 Ave N Shift Values>> N :: 120.65(3.86) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.19 K 0.12 Q 0.06 M 0.03 HN Overlap>> 1.N30 1.N30 C Shift Assignments>> C :: 177.213 CA :: 58.463 CB :: 29.379 CG :: 36.378 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 :: 8.505 HA :: 4.099 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 2.285 HG3 :: 2.285 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 :: 116.579 Ave N Shift Values>> N :: 120.67(3.48) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.33 I 0.02 C Shift Assignments>> C :: 175.737 CA :: 56.073 CB :: 31.584 CG :: 37.322 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 :: 7.552 HA :: 4.204 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.154 HG3 :: 2.154 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.465 Ave N Shift Values>> N :: 120.67(3.48) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.03 C Shift Assignments>> C :: 176.850 CA :: 56.451 CB :: 42.485 CG :: 25.423 CD1 :: 24.129 CD2 :: 24.129 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 :: 7.153 HA :: 3.778 HB2 :: 1.356 HB3 :: 1.405 HG :: 1.339 HD11 :: -0.093 HD12 :: -0.093 HD13 :: -0.093 HD21 :: -0.093 HD22 :: -0.093 HD23 :: -0.093 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 :: 121.402 Ave N Shift Values>> N :: 121.86(3.9) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.29 G 0.25 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.100 CA :: 43.972 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.734 HA2 :: 4.295 HA3 :: 3.342 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.573 Ave N Shift Values>> N :: 109.67(3.87) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.36 Q 0.05 K 0.01 HN Overlap>> 1.D22 1.D22 1.Q58 1.Q58 C Shift Assignments>> C :: 176.652 CA :: 56.218 CB :: 31.552 CG :: 36.278 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 :: 8.446 HA :: 4.356 HB2 :: 1.877 HB3 :: 2.022 HG2 :: 2.300 HG3 :: 2.300 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 :: 123.263 Ave N Shift Values>> N :: 120.67(3.48) 1.Y57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.087 CA :: 59.757 CB :: 39.116 CD1 :: 132.627 CD2 :: 132.627 CE1 :: 118.209 CE2 :: 118.209 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 :: 8.765 HA :: 2.740(S) HB2 :: 2.693 HB3 :: 2.693 HD1 :: 6.727 HD2 :: 6.727 HE1 :: 6.578 HE2 :: 6.578 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.591 Ave N Shift Values>> N :: 120.52(4.2) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 K 0.23 R 0.14 H 0.13 W 0.08 E 0.05 Q 0.04 V 0.01 HN Overlap>> 1.D22 1.E56 1.D22 1.E56 C Shift Assignments>> C :: 174.234 CA :: 55.217 CB :: 32.706 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 :: 8.354 HA :: 4.285 HB2 :: 1.908 HB3 :: 1.908 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 :: 123.265 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.3 R 0.15 D 0.11 F 0.02 Y 0.01 C Shift Assignments>> C :: 172.719 CA :: 52.763 CB :: 44.028 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 :: 7.074 HA :: 4.362 HB2 :: 2.042 HB3 :: 2.603 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.366 Ave N Shift Values>> N :: 120.65(3.86) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.262 CA :: 59.981 CB :: 34.771 CG1 :: 21.977 CG2 :: 19.261 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 :: 9.657 HA :: 4.686 HB :: 2.356 HG11 :: 1.047 HG12 :: 1.047 HG13 :: 1.047 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 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 :: 117.417 Ave N Shift Values>> N :: 121.14(4.54) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.3 A 0.02 G 0.01 C Shift Assignments>> C :: 176.448 CA :: 56.269 CB :: 42.117 CG :: 27.130 CD1 :: 23.193 CD2 :: 26.928 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 :: 8.445 HA :: 4.406 HB2 :: 1.873 HB3 :: 1.175 HG :: 1.172 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 127.623 Ave N Shift Values>> N :: 121.86(3.9) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.4 C Shift Assignments>> C :: 176.206 CA :: 52.649 CB :: 16.651 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.714 HA :: 4.357 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.945 Ave N Shift Values>> N :: 123.23(3.54) 1.E63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 E 0.38 Q 0.01 C Shift Assignments>> C :: 174.369 CA :: 54.672 CB :: 35.717(S) CG :: 36.427 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 :: 7.705 HA :: 4.951 HB2 :: 1.575 HB3 :: 1.961 HG2 :: 2.204 HG3 :: 2.204 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 :: 116.259 Ave N Shift Values>> N :: 120.67(3.48) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A113 1.A113 C Shift Assignments>> C :: 177.414 CA :: 60.790 CB :: 35.407 CG1 :: 21.059 CG2 :: 21.606 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 :: 8.592 HA :: 5.656 HB :: 2.105 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.307 Ave N Shift Values>> N :: 121.14(4.54) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 Q 0.23 K 0.16 E 0.12 N 0.03 H 0.03 R 0.02 Y 0.02 W 0.01 F 0.01 C Shift Assignments>> C :: 174.033 CA :: 54.493 CB :: 34.814 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.349 HA :: 5.022 HB2 :: 2.608 HB3 :: 1.944 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 :: 123.721 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.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.187 CA :: 61.031 CB :: 32.695 CG1 :: 21.228 CG2 :: 20.320 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 :: 8.136 HA :: 4.737 HB :: 1.352 HG11 :: 0.422 HG12 :: 0.422 HG13 :: 0.422 HG21 :: -0.014 HG22 :: -0.014 HG23 :: -0.014 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.098 Ave N Shift Values>> N :: 121.14(4.54) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.44 G 0.04 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> C :: 173.378 CA :: 54.425 CB :: 42.579 CD1 :: 132.484 CD2 :: 132.484 CE1 :: 130.028 CE2 :: 130.028 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 :: 8.786 HA :: 5.348 HB2 :: 2.478 HB3 :: 2.479 HD1 :: 6.641 HD2 :: 6.641 HE1 :: 6.399 HE2 :: 6.399 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.062 Ave N Shift Values>> N :: 120.45(4.18) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.24 D 0.18 K 0.09 F 0.05 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 177.575 CA :: 54.439 CB :: 42.934 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 :: 8.487 HA :: 4.648 HB2 :: 2.659 HB3 :: 2.659 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 :: 120.338 Ave N Shift Values>> N :: 120.65(3.86) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 174.758 CA :: 61.406 CB :: 63.364 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.571 HA :: 3.887 HB2 :: 3.749 HB3 :: 3.641 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 :: 123.686 Ave N Shift Values>> N :: 116.28(3.52) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.400 CA :: 64.701 CB :: 32.106 CG1 :: 22.004 CG2 :: 20.793 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 :: 8.345 HA :: 3.945 HB :: 2.196 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 119.555 Ave N Shift Values>> N :: 121.14(4.54) 1.S71 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 :: 176.166 CA :: 58.787 CB :: 65.727 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.287 HA :: 4.501 HB2 :: 4.054 HB3 :: 3.871 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 :: 113.814 Ave N Shift Values>> N :: 116.28(3.52) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.395 CA :: 45.469 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.688 HA2 :: 4.483 HA3 :: 3.444 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.056 Ave N Shift Values>> N :: 109.67(3.87) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.18 G 0.02 C Shift Assignments>> C :: 176.998 CA :: 57.173 CB :: 33.100 CG :: 25.024 CE :: 42.506 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 :: 8.147 HA :: 4.319 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 1.554 HG3 :: 1.554 HE2 :: 3.082 HE3 :: 3.082 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 :: 123.259 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.154 CA :: 59.311 CB :: 63.818 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.991 HA :: 4.555 HB2 :: 4.076 HB3 :: 3.998 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 :: 121.700 Ave N Shift Values>> N :: 116.28(3.52) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 A 0.07 C Shift Assignments>> C :: 174.704 CA :: 57.607 CB :: 39.152 CG2 :: 17.369 CD1 :: 12.901 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 :: 8.878 HA :: 4.690 HB :: 1.857 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 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 :: 126.076 Ave N Shift Values>> N :: 121.46(4.28) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.280 CA :: 63.190 CB :: 32.550 CG :: 27.672 CD :: 51.467 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 :: 4.502 HB2 :: 1.951 HB3 :: 2.383 HG2 :: 2.045 HG3 :: 2.045 HD2 :: 3.959 HD3 :: 3.727 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.R77 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.76 K 0.16 G 0.04 L 0.01 C Shift Assignments>> C :: 178.144 CA :: 57.961 CB :: 29.835 CG :: 27.082 CD :: 42.815 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 :: 8.455 HA :: 2.058(S) HB2 :: 1.260 HB3 :: 1.311 HG2 :: 0.824 HG3 :: 0.824 HD2 :: 2.669 HD3 :: 2.669 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 :: 123.073 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>> (HA > HD2 : 0.9912) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.589 CA :: 60.101 CB :: 62.407 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.155 HA :: 4.073 HB2 :: 3.805 HB3 :: 3.805 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 :: 113.179 Ave N Shift Values>> N :: 116.28(3.52) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.19 Q 0.11 K 0.08 I 0.01 HN Overlap>> 1.Q92 1.Q92 C Shift Assignments>> C :: 177.660 CA :: 55.676 CB :: 30.393 CG :: 36.093 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 :: 8.173 HA :: 4.480 HB2 :: 2.347 HB3 :: 1.945 HG2 :: 2.156 HG3 :: 2.156 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.862 Ave N Shift Values>> N :: 120.67(3.48) 1.W80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.602 CA :: 58.427 CB :: 29.027 CD1 :: 125.147 CE3 :: 121.110 CZ2 :: 114.404 CZ3 :: 122.039 CH2 :: 125.258 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 :: 7.851 HA :: 4.493 HB2 :: 3.266 HB3 :: 3.317 HD1 :: 6.751 HE1 :: 9.804 HE3 :: 7.549 HZ2 :: 7.648 HZ3 :: 7.096 HH2 :: 7.245 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 :: 121.646 NE1 :: 127.894 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.208 CA :: 45.507 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.674 HA2 :: 4.048 HA3 :: 3.850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.957 Ave N Shift Values>> N :: 109.67(3.87) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.11 K 0.08 C Shift Assignments>> C :: 176.352 CA :: 56.259 CB :: 30.685 CG :: 27.136 CD :: 43.375 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 :: 7.666 HA :: 4.348 HB2 :: 1.901 HB3 :: 1.815 HG2 :: 1.588 HG3 :: 1.641 HD2 :: 3.228 HD3 :: 3.228 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 :: 120.638 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.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.942 CA :: 61.211 CB :: 38.863 CG1 :: 27.228 CG2 :: 17.414 CD1 :: 12.961 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 :: 8.187 HA :: 4.178 HB :: 1.861 HG12 :: 1.479 HG13 :: 1.171 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 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 :: 122.408 Ave N Shift Values>> N :: 121.46(4.28) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.25 K 0.13 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.582 CA :: 54.447 CB :: 41.323 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 :: 8.469 HA :: 4.633 HB2 :: 2.726 HB3 :: 2.640 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 :: 124.504 Ave N Shift Values>> N :: 120.65(3.86) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 176.648 CA :: 56.973 CB :: 32.647 CG :: 24.746 CD :: 29.098 CE :: 42.025 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 :: 8.352 HA :: 4.256 HB2 :: 1.873 HB3 :: 1.792 HG2 :: 1.441 HG3 :: 1.441 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.995 HE3 :: 2.995 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 :: 121.899 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.12 F 0.1 N 0.1 Y 0.07 R 0.01 HN Overlap>> 1.F25 1.F25 C Shift Assignments>> C :: 176.944 CA :: 54.385 CB :: 41.199 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 :: 8.314 HA :: 4.640 HB2 :: 2.721 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 :: 119.954 Ave N Shift Values>> N :: 120.65(3.86) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.932 CA :: 45.780 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.309 HA2 :: 4.021 HA3 :: 3.953 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.529 Ave N Shift Values>> N :: 109.67(3.87) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.838 CA :: 59.137 CB :: 63.793 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.372 HA :: 4.392 HB2 :: 3.875 HB3 :: 3.875 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 :: 116.315 Ave N Shift Values>> N :: 116.28(3.52) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.19 Y 0.09 F 0.08 L 0.05 HN Overlap>> 1.T95 1.T95 C Shift Assignments>> C :: 175.630 CA :: 53.419 CB :: 38.764 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 :: 8.566 HA :: 4.767 HB2 :: 2.886 HB3 :: 2.785 HD21 :: 7.653 HD22 :: 6.932 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 :: 120.695 ND2 :: 113.034 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.013 CA :: 58.990 CB :: 63.765 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.212 HA :: 4.400 HB2 :: 3.917 HB3 :: 3.871 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 :: 115.903 Ave N Shift Values>> N :: 116.28(3.52) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 C Shift Assignments>> C :: 176.756 CA :: 56.900 CB :: 32.700 CG :: 24.746 CD :: 29.010 CE :: 42.025 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 :: 8.361 HA :: 4.260 HB2 :: 1.879 HB3 :: 1.789 HG2 :: 1.439 HG3 :: 1.439 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.993 HE3 :: 2.993 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 :: 122.582 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.34 E 0.11 M 0.09 R 0.03 HN Overlap>> 1.E79 1.V16 1.E79 1.V16 C Shift Assignments>> C :: 175.992 CA :: 56.172 CB :: 29.508 CG :: 33.929 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 :: 8.170 HA :: 4.343 HB2 :: 2.101 HB3 :: 1.990 HG2 :: 2.314 HG3 :: 2.380 HE21 :: 7.681 HE22 :: 6.872 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 :: 119.939 NE2 :: 112.380 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.033 CA :: 58.319 CB :: 63.601 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.453 HA :: 4.479 HB2 :: 3.940 HB3 :: 3.940 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 :: 117.657 Ave N Shift Values>> N :: 116.28(3.52) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.22 K 0.07 C Shift Assignments>> C :: 174.992 CA :: 55.154 CB :: 32.618 CG :: 27.172 CD :: 43.748 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 :: 8.071 HA :: 4.767 HB2 :: 1.453 HB3 :: 1.371 HG2 :: 1.274 HG3 :: 1.274 HD2 :: 2.855 HD3 :: 2.855 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 :: 123.761 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.T95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 170.304 CA :: 61.698 CB :: 70.860 CG2 :: 22.042 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 :: 8.566 HA :: 3.992 HB :: 2.045(S) HG21 :: 0.303(S) HG22 :: 0.303(S) HG23 :: 0.303(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 :: 120.781 Ave N Shift Values>> N :: 115.42(4.75) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 E 0.35 Q 0.14 K 0.02 C Shift Assignments>> C :: 174.731 CA :: 54.248 CB :: 31.345 CG :: 35.521 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 :: 8.145 HA :: 4.955 HB2 :: 1.829 HB3 :: 1.661 HG2 :: 1.877 HG3 :: 1.877 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.459 Ave N Shift Values>> N :: 120.67(3.48) 1.W97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 172.732 CA :: 54.463 CB :: 34.098 CD1 :: 123.826 CE3 :: 122.413 CZ2 :: 113.290 CZ3 :: 121.118 CH2 :: 123.470 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.117 HA :: 5.099 HB2 :: 3.137 HB3 :: 2.219 HD1 :: 6.968 HE1 :: 9.877 HE3 :: 7.352 HZ2 :: 7.415 HZ3 :: 6.993 HH2 :: 7.070 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 :: 127.655 NE1 :: 126.953 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.24 L 0.18 F 0.06 Y 0.04 K 0.04 C Shift Assignments>> C :: 175.992 CA :: 52.790 CB :: 40.871 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 :: 8.342 HA :: 5.255 HB2 :: 2.640 HB3 :: 2.834 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 :: 122.280 Ave N Shift Values>> N :: 120.65(3.86) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.864 CA :: 56.748 CB :: 39.594 CD1 :: 133.683 CD2 :: 133.683 CE1 :: 118.034 CE2 :: 118.034 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 :: 9.684 HA :: 5.075 HB2 :: 3.082 HB3 :: 2.666 HD1 :: 7.033 HD2 :: 7.033 HE1 :: 6.792 HE2 :: 6.792 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 :: 126.550 Ave N Shift Values>> N :: 120.52(4.2) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 173.845 CA :: 45.065 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.569 HA2 :: 4.623 HA3 :: 3.785 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.316 Ave N Shift Values>> N :: 109.67(3.87) 1.E101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.55 M 0.42 C Shift Assignments>> C :: 174.922 CA :: 56.901 CB :: 32.686 CG :: 37.126 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 :: 9.574 HA :: 4.667 HB2 :: 2.357 HB3 :: 2.357 HG2 :: 2.982(S) HG3 :: 2.518 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 :: 127.262 Ave N Shift Values>> N :: 120.67(3.48) 1.I102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.605 CA :: 59.599 CB :: 40.010 CG1 :: 27.267 CG2 :: 16.506 CD1 :: 13.170 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 :: 8.682 HA :: 5.183 HB :: 0.571(S) HG12 :: 0.605 HG13 :: 1.041 HG21 :: -0.443(S) HG22 :: -0.443(S) HG23 :: -0.443(S) HD11 :: -0.018 HD12 :: -0.018 HD13 :: -0.018 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 :: 118.442 Ave N Shift Values>> N :: 121.46(4.28) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.64 W 0.27 Y 0.08 C Shift Assignments>> C :: 174.438 CA :: 53.760 CB :: 34.219 CD2 :: 118.503 CE1 :: 136.671 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 :: 9.455 HA :: 5.308 HB2 :: 3.072 HB3 :: 3.072 HD2 :: 6.940 HE1 :: 8.590 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 :: 125.905 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.880 CA :: 57.960 CB :: 64.550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.608 HA :: 4.628 HB2 :: 4.270 HB3 :: 4.004 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 :: 114.925 Ave N Shift Values>> N :: 116.28(3.52) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.582 CA :: 59.453 CB :: 40.216 CG2 :: 17.088 CD1 :: 14.748 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 :: 9.863 HA :: 4.375 HB :: 1.473 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 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 :: 121.405 Ave N Shift Values>> N :: 121.46(4.28) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.11 K 0.07 L 0.02 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> C :: 177.508 CA :: 58.442 CB :: 29.543 CG :: 27.164 CD :: 43.343 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 :: 8.584 HA :: 3.981 HB2 :: 1.585 HB3 :: 1.725 HG2 :: 1.451 HG3 :: 1.451 HD2 :: 3.171 HD3 :: 3.171 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 :: 126.700 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.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.926 CA :: 45.502 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.785 HA2 :: 4.179 HA3 :: 3.729 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.383 Ave N Shift Values>> N :: 109.67(3.87) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 A 0.01 C Shift Assignments>> C :: 176.618 CA :: 54.041 CB :: 35.395 CG :: 24.965 CD :: 29.155 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 :: 8.071 HA :: 4.840 HB2 :: 1.726 HB3 :: 1.726 HG2 :: 1.341 HG3 :: 1.341 HD2 :: 1.420 HD3 :: 1.420 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 :: 119.106 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.555 CA :: 57.826 CB :: 63.552 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.186 HA :: 4.647 HB2 :: 3.933 HB3 :: 4.131 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 :: 120.373 Ave N Shift Values>> N :: 116.28(3.52) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.1 G 0.08 C Shift Assignments>> C :: 177.092 CA :: 57.532 CB :: 43.121 CG :: 27.322 CD1 :: 24.762 CD2 :: 24.878 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 :: 9.104 HA :: 4.691 HB2 :: 1.720 HB3 :: 1.929 HG :: 1.937 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.909 HD22 :: 0.909 HD23 :: 0.909 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 :: 128.898 Ave N Shift Values>> N :: 121.86(3.9) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.482 CA :: 63.635 CB :: 68.905 CG2 :: 22.325 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 :: 7.723 HA :: 4.281 HB :: 4.406 HG21 :: 1.332 HG22 :: 1.332 HG23 :: 1.332 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 :: 103.433 Ave N Shift Values>> N :: 115.42(4.75) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.35 Q 0.02 I 0.01 C Shift Assignments>> C :: 176.421 CA :: 57.917 CB :: 32.146 CG :: 36.553 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 :: 8.142 HA :: 4.598 HB2 :: 2.224 HB3 :: 2.224 HG2 :: 2.396 HG3 :: 2.320 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 :: 120.855 Ave N Shift Values>> N :: 120.67(3.48) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 A 0.18 K 0.09 HN Overlap>> 1.V64 1.V64 C Shift Assignments>> C :: 174.220 CA :: 52.087 CB :: 23.267 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.501 HA :: 5.136 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.353 Ave N Shift Values>> N :: 123.23(3.54) 1.F114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.53 F 0.46 C Shift Assignments>> C :: 171.323 CA :: 56.985 CB :: 38.983 CD1 :: 132.431 CD2 :: 132.431 CE1 :: 129.929 CE2 :: 129.929 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 :: 8.288 HA :: 4.540 HB2 :: 3.044 HB3 :: 3.259 HD1 :: 6.697 HD2 :: 6.697 HE1 :: 5.876(S) HE2 :: 5.876(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 112.126 Ave N Shift Values>> N :: 120.45(4.18) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.22 G 0.03 C Shift Assignments>> C :: 175.804 CA :: 49.561 CB :: 22.384 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.305 HA :: 5.514 HB1 :: 1.120 HB2 :: 1.120 HB3 :: 1.120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 123.23(3.54) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 A 0.06 C Shift Assignments>> C :: 173.550 CA :: 58.770 CB :: 35.217 CG1 :: 19.934 CG2 :: 19.934 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 :: 9.497 HA :: 5.073 HB :: 1.870 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 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 :: 121.647 Ave N Shift Values>> N :: 121.14(4.54) 1.E117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.42 E 0.29 Q 0.23 K 0.04 C Shift Assignments>> C :: 174.114 CA :: 55.808 CB :: 31.387 CG :: 34.932 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 :: 8.821 HA :: 3.490 HB2 :: 1.444 HB3 :: 1.921 HG2 :: 0.758(S) HG3 :: 1.526(S) 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 :: 131.965 Ave N Shift Values>> N :: 120.67(3.48) 1.I118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.73 A 0.26 C Shift Assignments>> C :: 176.470 CA :: 56.817 CB :: 36.760 CG1 :: 25.068 CG2 :: 14.984 CD1 :: 11.448 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 :: 8.658 HA :: 4.315 HB :: 1.301 HG12 :: 1.098 HG13 :: 0.224 HG21 :: -0.852(S) HG22 :: -0.852(S) HG23 :: -0.852(S) HD11 :: 0.052 HD12 :: 0.052 HD13 :: 0.052 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.464 Ave N Shift Values>> N :: 121.46(4.28) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 M 0.23 N 0.17 K 0.08 Y 0.07 Q 0.06 F 0.04 H 0.01 C Shift Assignments>> C :: 174.825 CA :: 54.364 CB :: 35.914 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.357 HA :: 4.353 HB2 :: 2.889 HB3 :: 2.889 HD21 :: 7.868 HD22 :: 7.080 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 :: 127.962 ND2 :: 111.809 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 D 0.21 L 0.14 N 0.09 I 0.03 K 0.02 C Shift Assignments>> C :: 174.251 CA :: 56.165 CB :: 39.990 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 :: 8.678 HA :: 4.090 HB2 :: 2.859 HB3 :: 2.859 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.567 Ave N Shift Values>> N :: 120.65(3.86) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.17 R 0.03 D 0.03 C Shift Assignments>> C :: 174.815 CA :: 52.818 CB :: 44.838 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 :: 7.567 HA :: 4.940 HB2 :: 2.426 HB3 :: 2.398 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 :: 119.697 Ave N Shift Values>> N :: 120.65(3.86) 1.F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.998 CA :: 60.897 CB :: 40.110 CD1 :: 131.134 CD2 :: 131.134 CE1 :: 131.658 CE2 :: 131.658 CZ :: 128.774 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 :: 8.890 HA :: 4.211 HB2 :: 3.070 HB3 :: 2.379 HD1 :: 6.930 HD2 :: 6.930 HE1 :: 7.049 HE2 :: 7.049 HZ :: 6.798 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.236 Ave N Shift Values>> N :: 120.45(4.18) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 A 0.07 Q 0.06 P 0.04 R 0.02 C Shift Assignments>> C :: 176.783 CA :: 51.894 CB :: 34.116 CG :: 24.439 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 :: 9.037 HA :: 5.051 HB2 :: 1.595 HB3 :: 1.935 HG2 :: 1.071 HG3 :: 1.071 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 :: 123.312 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.16 G 0.04 A 0.01 C Shift Assignments>> C :: 175.071 CA :: 55.487 CB :: 42.775 CG :: 27.051 CD1 :: 25.808 CD2 :: 23.586 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 :: 8.069 HA :: 4.073 HB2 :: 1.094 HB3 :: 1.094 HG :: 1.322 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.725 HD22 :: 0.725 HD23 :: 0.725 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 :: 121.906 Ave N Shift Values>> N :: 121.86(3.9) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 M 0.01 C Shift Assignments>> C :: 175.655 CA :: 50.004 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 :: 9.337 HA :: 5.591 HB1 :: 0.517 HB2 :: 0.517 HB3 :: 0.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 134.144 Ave N Shift Values>> N :: 123.23(3.54) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.033 CA :: 59.756 CB :: 71.527 CG2 :: 21.951 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 :: 7.886 HA :: 4.979 HB :: 4.204 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.774 Ave N Shift Values>> N :: 115.42(4.75) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.07 C Shift Assignments>> C :: 176.904 CA :: 57.784 CB :: 32.360 CG :: 24.597 CE :: 41.754 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 :: 8.028 HA :: 3.651 HB2 :: 1.562 HB3 :: 1.664 HG2 :: 1.159 HG3 :: 1.000 HE2 :: 2.908 HE3 :: 2.908 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 :: 126.095 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.351 CA :: 62.492 CB :: 32.747 CG1 :: 21.376 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 :: 8.930 HA :: 4.128 HB :: 2.022 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.045 Ave N Shift Values>> N :: 121.14(4.54) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.839 CA :: 45.034 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.454 HA2 :: 3.981 HA3 :: 3.981 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.708 Ave N Shift Values>> N :: 109.67(3.87) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.16 F 0.14 Y 0.12 K 0.03 C Shift Assignments>> C :: 179.735 CA :: 54.730 CB :: 40.389 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.003 HA :: 4.498 HB2 :: 2.802 HB3 :: 2.678 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 :: 124.156 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 118 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 128 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 129 #Suspicious: 1 C Shift Results: #Consistent: 534 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 817 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 137 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.R33 NE = 117.988(A), Expected = 84.63, Std = 1.6800, ChiSquare = 9.7889e-88 1.D36 HA = 5.694(S), Expected = 4.59, Std = 0.3200, ChiSquare = 5.6059e-04 1.Y42 Typing: Suspicious 1.Y42 CD1 = 127.451(S), Expected = 132.77, Std = 1.1700, ChiSquare = 5.4635e-06 1.Y42 CD2 = 127.451(S), Expected = 132.73, Std = 1.3000, ChiSquare = 4.8911e-05 1.Y57 HA = 2.740(S), Expected = 4.63, Std = 0.5600, ChiSquare = 7.3816e-04 1.E63 CB = 35.717(S), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0657e-04 1.R77 HA = 2.058(S), Expected = 4.30, Std = 0.4600, ChiSquare = 1.0941e-06 1.R77 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.T95 HB = 2.045(S), Expected = 4.17, Std = 0.3300, ChiSquare = 1.1995e-10 1.T95 HG21 = 0.303(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7356e-04 1.T95 HG22 = 0.303(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7356e-04 1.T95 HG23 = 0.303(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7356e-04 1.E101 HG2 = 2.982(S), Expected = 2.27, Std = 0.2100, ChiSquare = 6.9771e-04 1.I102 HB = 0.571(S), Expected = 1.78, Std = 0.2900, ChiSquare = 3.0599e-05 1.I102 HG21 = -0.443(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0361e-06 1.I102 HG22 = -0.443(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0361e-06 1.I102 HG23 = -0.443(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0361e-06 1.F114 HE1 = 5.876(S), Expected = 7.08, Std = 0.3100, ChiSquare = 1.0281e-04 1.F114 HE2 = 5.876(S), Expected = 7.08, Std = 0.3200, ChiSquare = 1.6822e-04 1.E117 HG2 = 0.758(S), Expected = 2.27, Std = 0.2100, ChiSquare = 6.0213e-13 1.E117 HG3 = 1.526(S), Expected = 2.25, Std = 0.2200, ChiSquare = 9.9864e-04 1.I118 HG21 = -0.852(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.8851e-09 1.I118 HG22 = -0.852(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.8851e-09 1.I118 HG23 = -0.852(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.8851e-09