Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 D 0.08 K 0.07 F 0.06 Y 0.03 C 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 169.863 CA :: 42.969 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.310 HA2 :: 3.735 HA3 :: 3.735 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.071 Ave N Shift Values>> N :: 109.67(3.87) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.N126 1.N126 C Shift Assignments>> C :: 175.668 CA :: 60.512 CB :: 38.645 CG1 :: 26.774 CG2 :: 17.370 CD1 :: 12.744 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 :: 8.393 HA :: 4.059 HB :: 1.677 HG12 :: 1.039 HG13 :: 1.304 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.559 Ave N Shift Values>> N :: 121.46(4.28) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.25 L 0.17 C 0.05 F 0.05 K 0.04 Y 0.03 C Shift Assignments>> CA :: 52.134 CB :: 40.975 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 :: 8.465 HA :: 4.746 HB2 :: 2.499 HB3 :: 2.679 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 :: 126.392 Ave N Shift Values>> N :: 120.65(3.86) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.127 CA :: 63.309 CB :: 31.558 CG :: 26.568 CD :: 50.588 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 :: 4.161 HB2 :: 1.399 HB3 :: 2.012 HG2 :: 1.525 HG3 :: 1.750 HD2 :: 3.642 HD3 :: 3.784 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.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.36 C 0.24 C Shift Assignments>> C :: 175.977 CA :: 57.715 CB :: 38.435 CD2 :: 131.498 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 :: 8.122 HA :: 4.419 HB2 :: 2.903 HB3 :: 3.045 HD1 :: 7.122 HD2 :: 7.122 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 :: 117.697 Ave N Shift Values>> N :: 120.45(4.18) 1.T6 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 :: 174.104 CA :: 62.812 CB :: 69.377 CG2 :: 21.157 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 :: 7.487 HA :: 3.997 HB :: 4.061 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 :: 112.938 Ave N Shift Values>> N :: 115.42(4.75) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.36 Q 0.07 K 0.02 C Shift Assignments>> C :: 175.705 CA :: 55.202 CB :: 31.850 CG :: 31.835 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.966 HA :: 4.302 HB2 :: 1.948 HB3 :: 1.860 HG2 :: 2.369 HG3 :: 2.483 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 :: 120.732 Ave N Shift Values>> N :: 120.09(3.57) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.32 A 0.16 C Shift Assignments>> C :: 173.286 CA :: 54.157 CB :: 39.800 CG :: 25.733 CD1 :: 22.659 CD2 :: 25.207 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 :: 7.788 HA :: 4.534 HB2 :: 1.253 HB3 :: 1.255 HG :: 1.131 HD11 :: 0.495 HD12 :: 0.495 HD13 :: 0.495 HD21 :: 0.242 HD22 :: 0.242 HD23 :: 0.242 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 :: 123.707 Ave N Shift Values>> N :: 121.86(3.9) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 R 0.3 K 0.26 G 0.11 C Shift Assignments>> CA :: 52.435 CB :: 32.082 CG :: 28.790 CD :: 42.998 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 :: 6.912 HA :: 4.910 HB2 :: 1.474 HB3 :: 1.838 HG2 :: 1.650 HG3 :: 1.757 HD2 :: 2.956 HD3 :: 3.368 HE :: 7.409 HH11 :: 6.328 HH12 :: 6.328 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 :: 113.035 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.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 173.106 CA :: 62.142 CB :: 31.833 CD :: 50.095 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 :: 4.657 HB2 :: 1.454 HB3 :: 1.574 HD2 :: 3.476 HD3 :: 3.534 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.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.3 R 0.21 G 0.02 C Shift Assignments>> C :: 173.640 CA :: 54.213 CB :: 32.628 CG :: 28.781 CD :: 42.521 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 :: 8.423 HA :: 4.294 HB2 :: 1.034 HB3 :: 1.542 HG2 :: 1.256 HG3 :: 1.593 HD2 :: 2.836 HD3 :: 3.129 HE :: 6.757 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 :: 116.260 NE :: 83.576 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.16 G 0.15 A 0.07 R 0.05 C Shift Assignments>> C :: 176.169 CA :: 52.883 CB :: 43.463 CG :: 26.990 CD1 :: 23.165 CD2 :: 25.472 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 :: 8.666 HA :: 4.947 HB2 :: 1.037 HB3 :: 1.817 HG :: 1.123 HD11 :: 0.549 HD12 :: 0.549 HD13 :: 0.549 HD21 :: 0.668 HD22 :: 0.668 HD23 :: 0.668 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.350 Ave N Shift Values>> N :: 121.86(3.9) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.16 C 0.15 R 0.13 E 0.12 H 0.11 I 0.05 L 0.05 M 0.01 C Shift Assignments>> C :: 173.624 CA :: 57.461 CB :: 28.251 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.357 HA :: 4.625 HB2 :: 2.293 HB3 :: 2.715 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 :: 129.065 Ave N Shift Values>> N :: 120.17(4.64) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 173.064 CA :: 61.019 CB :: 68.906 CG2 :: 21.142 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 :: 8.926 HA :: 3.975 HB :: 3.932 HG21 :: 1.023 HG22 :: 1.023 HG23 :: 1.023 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 :: 122.778 Ave N Shift Values>> N :: 115.42(4.75) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.32 M 0.13 HN Overlap>> 1.R56 1.R56 C Shift Assignments>> C :: 173.000 CA :: 54.186 CB :: 37.924 CG :: 32.288 CE :: 18.111 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 :: 8.673 HA :: 4.839 HB2 :: 1.652 HB3 :: 1.912 HG2 :: 2.149 HG3 :: 2.048 HE1 :: 1.440 HE2 :: 1.440 HE3 :: 1.440 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 :: 120.924 Ave N Shift Values>> N :: 120.09(3.57) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.4 C Shift Assignments>> C :: 175.785 CA :: 54.160 CB :: 34.413 CG :: 24.733 CD :: 28.795 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 :: 8.467 HA :: 5.139 HB2 :: 1.607 HB3 :: 1.780 HG2 :: 1.360 HG3 :: 1.408 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.857 HE3 :: 2.857 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 :: 122.084 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.47 R 0.02 HN Overlap>> 1.K124 1.K124 C Shift Assignments>> C :: 177.176 CA :: 58.226 CB :: 33.330 CD :: 29.312 CE :: 41.471 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 :: 8.383 HA :: 3.100 HB2 :: 1.193 HB3 :: 1.302 HG3 :: 0.490 HD2 :: 1.265 HD3 :: 1.328 HE2 :: 2.743 HE3 :: 2.794 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 :: 123.393 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.22 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> CA :: 43.926 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.297 HA2 :: 3.819 HA3 :: 4.512 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.578 Ave N Shift Values>> N :: 109.67(3.87) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 177.874 CA :: 64.830 CB :: 31.863 CG :: 26.999 CD :: 49.423 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 :: 4.192 HB2 :: 1.849 HB3 :: 2.247 HG2 :: 1.918 HG3 :: 1.983 HD2 :: 3.553 HD3 :: 3.654 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.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.944 CA :: 56.213 CB :: 63.011 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.347 HA :: 4.599 HB2 :: 3.738 HB3 :: 3.802 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 :: 111.402 Ave N Shift Values>> N :: 116.28(3.52) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 G 0.24 F 0.04 C 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.873 CA :: 43.987 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.558 HA2 :: 3.060 HA3 :: 4.285 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.788 Ave N Shift Values>> N :: 109.67(3.87) 1.Y22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.39 F 0.37 C 0.22 C Shift Assignments>> C :: 176.105 CA :: 61.019 CB :: 39.254 CD2 :: 132.177 CE2 :: 117.330 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 :: 11.816(S) HA :: 4.316 HB2 :: 2.600 HB3 :: 3.227 HD1 :: 6.746 HD2 :: 6.746 HE1 :: 6.441 HE2 :: 6.441 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 :: 128.473 Ave N Shift Values>> N :: 120.52(4.2) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.936 CA :: 46.038 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.570 HA2 :: 3.671 HA3 :: 4.356 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.640 Ave N Shift Values>> N :: 109.67(3.87) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.41 C 0.13 C Shift Assignments>> C :: 171.095 CA :: 55.189 CB :: 41.957 CD2 :: 132.366 CE2 :: 130.194 CZ :: 128.545 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 :: 7.868 HA :: 5.341 HB2 :: 2.552 HB3 :: 3.096 HD1 :: 6.687 HD2 :: 6.687 HE1 :: 6.719 HE2 :: 6.719 HZ :: 6.719 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 :: 113.236 Ave N Shift Values>> N :: 120.45(4.18) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.25 L 0.17 C 0.05 F 0.05 K 0.04 Y 0.03 C Shift Assignments>> C :: 173.464 CA :: 52.075 CB :: 41.025 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 :: 8.092 HA :: 5.293 HB2 :: 2.457 HB3 :: 2.620 HD21 :: 6.831 HD22 :: 7.073 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 :: 117.363 ND2 :: 111.610 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.18 C 0.17 C Shift Assignments>> C :: 174.921 CA :: 53.434 CB :: 45.920 CG :: 25.360 CD1 :: 25.703 CD2 :: 25.254 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 :: 9.443 HA :: 5.067 HB2 :: 1.194 HB3 :: 1.911 HG :: 1.332 HD11 :: 0.272 HD12 :: 0.272 HD13 :: 0.272 HD21 :: 0.706 HD22 :: 0.706 HD23 :: 0.706 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 :: 128.844 Ave N Shift Values>> N :: 121.86(3.9) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 H 0.46 C Shift Assignments>> CA :: 55.120 CB :: 33.452 CD2 :: 120.075 CE1 :: 138.805 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 :: 10.383 HA :: 5.901 HB2 :: 3.084 HB3 :: 3.084 HD2 :: 7.102 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.508 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> CA :: 57.137 CB :: 65.900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.077 HA :: 4.832 HB2 :: 3.896 HB3 :: 4.100 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 :: 119.111 Ave N Shift Values>> N :: 116.28(3.52) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.25 D 0.14 G 0.09 C 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 175.273 CA :: 53.974 CB :: 43.516 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 :: 9.406 HA :: 4.719 HB2 :: 2.821 HB3 :: 2.821 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 :: 118.905 Ave N Shift Values>> N :: 120.65(3.86) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.08 V 0.01 Q 0.01 C Shift Assignments>> C :: 177.466 CA :: 57.356 CB :: 31.840 CG :: 24.661 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 :: 4.098 HB2 :: 1.780 HB3 :: 1.750 HG2 :: 1.366 HG3 :: 1.401 HD2 :: 1.584 HD3 :: 1.584 HE2 :: 2.994 HE3 :: 3.018 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.927 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.920 CA :: 60.284 CB :: 63.345 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.923 HA :: 4.126 HB2 :: 3.826 HB3 :: 3.794 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 :: 116.386 Ave N Shift Values>> N :: 116.28(3.52) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.33 A 0.15 R 0.04 C Shift Assignments>> CA :: 53.638 CB :: 33.365 CG :: 22.706 CD :: 29.029 CE :: 41.444 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 :: 7.476 HA :: 4.757 HB2 :: 1.650 HB3 :: 1.822 HG2 :: 1.233 HG3 :: 1.290 HD2 :: 1.401 HE2 :: 2.477 HE3 :: 2.546 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 :: 120.221 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.128 CA :: 62.731 CB :: 31.842 CG :: 27.233 CD :: 50.605 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 :: 4.567 HB2 :: 1.794 HB3 :: 2.220 HG2 :: 1.943 HG3 :: 2.028 HD2 :: 3.645 HD3 :: 3.781 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.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.29 G 0.11 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 175.577 CA :: 43.587 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.360 HA2 :: 3.325 HA3 :: 4.203 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.679 Ave N Shift Values>> N :: 109.67(3.87) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 Q 0.15 K 0.13 C 0.12 R 0.09 H 0.08 P 0.08 E 0.07 L 0.04 C Shift Assignments>> C :: 173.528 CB :: 28.251 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>> HB2 :: 1.857 HB3 :: 1.990 HE21 :: 6.376 HE22 :: 7.201 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>> NE2 :: 110.042 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.28 C 0.18 G 0.12 C Shift Assignments>> C :: 175.465 CA :: 56.183 CB :: 43.242 CD2 :: 132.218 CE2 :: 131.342 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 :: 8.973 HA :: 5.213 HB2 :: 2.704 HB3 :: 2.704 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 7.225 HE2 :: 7.225 HZ :: 7.237 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 :: 119.974 Ave N Shift Values>> N :: 120.45(4.18) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.08 I 0.02 C Shift Assignments>> C :: 175.977 CA :: 57.501 CB :: 34.065 CG1 :: 26.260 CG2 :: 19.139 CD1 :: 10.243 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 :: 9.238 HA :: 4.434 HB :: 2.326 HG12 :: 0.902 HG13 :: 1.377 HG21 :: 0.501 HG22 :: 0.501 HG23 :: 0.501 HD11 :: 0.228 HD12 :: 0.228 HD13 :: 0.228 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 :: 120.918 Ave N Shift Values>> N :: 121.46(4.28) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.4 K 0.13 Q 0.03 M 0.01 C Shift Assignments>> C :: 175.881 CA :: 57.716 CB :: 31.303 CG :: 26.742 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 :: 9.266 HA :: 4.216 HB2 :: 1.652 HB3 :: 1.652 HG2 :: 1.448 HG3 :: 1.464 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 :: 132.009 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.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.159 CA :: 56.950 CB :: 64.427 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.396 HA :: 4.445 HB2 :: 3.769 HB3 :: 3.747 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 :: 107.702 Ave N Shift Values>> N :: 116.28(3.52) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 HN Overlap>> 1.T93 1.T93 C Shift Assignments>> C :: 175.401 CA :: 60.503 CB :: 34.399 CG1 :: 21.167 CG2 :: 21.137 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 :: 8.567 HA :: 4.424 HB :: 1.734 HG11 :: 0.497 HG12 :: 0.497 HG13 :: 0.497 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 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 :: 120.045 Ave N Shift Values>> N :: 121.14(4.54) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.17 C 0.08 F 0.04 Y 0.04 L 0.04 C Shift Assignments>> CA :: 52.170 CB :: 38.904 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 :: 9.201 HA :: 4.619 HB2 :: 2.562 HB3 :: 2.486 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.188 Ave N Shift Values>> N :: 120.65(3.86) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.962 CA :: 62.827 CB :: 31.492 CG :: 27.235 CD :: 50.524 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 :: 4.455 HB2 :: 1.762 HB3 :: 2.251 HG2 :: 1.966 HG3 :: 2.028 HD2 :: 3.885 HD3 :: 3.578 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.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 Y 0.19 F 0.18 D 0.15 C 0.13 L 0.06 I 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 174.232 CA :: 55.427 CB :: 38.899 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 :: 9.120 HA :: 4.269 HB2 :: 2.686 HB3 :: 2.873 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 :: 118.191 Ave N Shift Values>> N :: 120.65(3.86) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G18 1.G18 C Shift Assignments>> CA :: 56.207 CB :: 64.983 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.242 HA :: 4.782 HB2 :: 3.765 HB3 :: 3.765 HG :: 6.456 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 :: 111.603 Ave N Shift Values>> N :: 116.28(3.52) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 180.215 CA :: 65.084 CB :: 32.861 CG :: 28.615 CD :: 50.134 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 :: 4.401 HB2 :: 2.183 HB3 :: 2.860 HG2 :: 2.129 HG3 :: 2.432 HD2 :: 3.702 HD3 :: 3.918 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.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.29 C 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 179.738 CA :: 54.678 CB :: 19.113 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.415 HA :: 4.188 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.124 Ave N Shift Values>> N :: 123.23(3.54) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.23 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 180.432 CA :: 59.726 CB :: 29.410 CG :: 36.647 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 :: 8.362 HA :: 3.760 HB2 :: 2.181 HB3 :: 2.181 HG2 :: 2.127 HG3 :: 2.127 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 :: 122.627 Ave N Shift Values>> N :: 120.67(3.48) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.48 C 0.01 I 0.01 C Shift Assignments>> C :: 178.842 CA :: 54.208 CB :: 17.643 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.345 HA :: 4.094 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.464 Ave N Shift Values>> N :: 123.23(3.54) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.793 CA :: 59.740 CB :: 64.613 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.751 HA :: 4.416 HB2 :: 3.902 HB3 :: 3.804 HG :: 5.009 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 :: 111.921 Ave N Shift Values>> N :: 116.28(3.52) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.592 CA :: 44.543 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.489 HA2 :: 3.577 HA3 :: 4.324 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.554 Ave N Shift Values>> N :: 109.67(3.87) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.24 G 0.11 R 0.03 C Shift Assignments>> C :: 175.288 CA :: 55.182 CB :: 43.512 CG :: 25.763 CD1 :: 25.757 CD2 :: 24.741 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 :: 7.071 HA :: 3.785 HB2 :: 0.941 HB3 :: 1.189 HG :: 1.230 HD11 :: -0.052 HD12 :: -0.052 HD13 :: -0.052 HD21 :: 0.488 HD22 :: 0.488 HD23 :: 0.488 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 :: 123.852 Ave N Shift Values>> N :: 121.86(3.9) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.31 G 0.19 K 0.06 C Shift Assignments>> C :: 175.289 CA :: 53.858 CB :: 33.874 CG :: 26.729 CD :: 43.575 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 :: 8.638 HA :: 4.510 HB2 :: 1.619 HB3 :: 1.619 HG2 :: 1.381 HG3 :: 1.507 HD2 :: 2.963 HD3 :: 3.146 HE :: 7.175 HH11 :: 6.839 HH12 :: 6.355 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 :: 124.234 NE :: 84.976 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.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C 0.01 C Shift Assignments>> C :: 179.226 CA :: 53.156 CB :: 17.616 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.565 HA :: 3.701 HB1 :: 1.275 HB2 :: 1.275 HB3 :: 1.275 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.931 Ave N Shift Values>> N :: 123.23(3.54) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.24 Q 0.16 R 0.11 I 0.02 E 0.01 C Shift Assignments>> C :: 175.167 CA :: 58.233 CB :: 26.246 CG :: 33.880 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.628 HA :: 3.794 HB2 :: 2.320 HB3 :: 2.560 HG2 :: 2.336 HG3 :: 2.234 HE21 :: 6.720 HE22 :: 7.481 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.928 NE2 :: 112.040 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.18 F 0.11 Y 0.08 C 0.05 N 0.03 R 0.03 C Shift Assignments>> C :: 174.377 CA :: 55.412 CB :: 41.515 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 :: 7.806 HA :: 4.668 HB2 :: 1.951 HB3 :: 2.646 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 :: 120.697 Ave N Shift Values>> N :: 120.65(3.86) 1.R56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.22 R 0.15 M 0.05 HN Overlap>> 1.M15 1.M15 C Shift Assignments>> C :: 176.552 CA :: 54.175 CB :: 33.088 CG :: 28.142 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 :: 8.726 HA :: 4.557 HG2 :: 0.129(S) HG3 :: 0.839 HD3 :: 3.044 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 :: 120.902 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.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 174.324 CA :: 62.029 CB :: 38.434 CG1 :: 27.741 CG2 :: 17.603 CD1 :: 14.216 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.838 HA :: 3.605 HB :: 1.431 HG12 :: 0.607 HG13 :: 1.210 HG21 :: 0.435 HG22 :: 0.435 HG23 :: 0.435 HD11 :: 0.442 HD12 :: 0.442 HD13 :: 0.442 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.523 Ave N Shift Values>> N :: 121.46(4.28) 1.V58 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 :: 175.826 CA :: 63.306 CB :: 33.082 CG1 :: 21.659 CG2 :: 21.650 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 :: 9.072 HA :: 4.025 HB :: 1.484 HG11 :: 0.567 HG12 :: 0.567 HG13 :: 0.567 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 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 :: 126.127 Ave N Shift Values>> N :: 121.14(4.54) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.23 E 0.04 Q 0.01 HN Overlap>> 1.V115 1.V115 C Shift Assignments>> C :: 175.769 CA :: 54.194 CB :: 34.329 CG :: 35.349 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 :: 7.643 HA :: 5.113 HB2 :: 1.352 HB3 :: 1.787 HG2 :: 2.111 HG3 :: 2.111 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.466 Ave N Shift Values>> N :: 120.67(3.48) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 176.150 CA :: 60.775 CB :: 33.841 CG1 :: 20.606 CG2 :: 20.657 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 :: 7.922 HA :: 4.292 HB :: 1.659 HG11 :: 0.541 HG12 :: 0.541 HG13 :: 0.541 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.048 Ave N Shift Values>> N :: 121.14(4.54) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.21 E 0.15 Y 0.09 M 0.08 F 0.06 D 0.02 K 0.01 C Shift Assignments>> C :: 174.987 CA :: 54.172 CB :: 36.898 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 :: 9.834 HA :: 4.203 HB2 :: 2.752 HB3 :: 2.892 HD21 :: 7.779 HD22 :: 8.101 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 :: 128.720 ND2 :: 116.534 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.416 CA :: 44.767 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.132 HA2 :: 3.507 HA3 :: 3.892 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.049 Ave N Shift Values>> N :: 109.67(3.87) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 175.033 CA :: 61.238 CB :: 32.851 CG1 :: 20.694 CG2 :: 20.695 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 :: 7.634 HA :: 3.974 HB :: 1.834 HG11 :: 0.766 HG12 :: 0.766 HG13 :: 0.766 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 121.818 Ave N Shift Values>> N :: 121.14(4.54) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.22 P 0.14 R 0.08 Q 0.02 E 0.02 H 0.02 K 0.02 L 0.01 C Shift Assignments>> C :: 175.950 CA :: 61.019 CB :: 27.257 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.942 HA :: 4.197 HB2 :: 2.694 HB3 :: 3.092 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 :: 127.514 Ave N Shift Values>> N :: 120.17(4.64) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.25 C 0.16 C Shift Assignments>> C :: 176.864 CA :: 53.000 CB :: 32.825 CG :: 32.377 CE :: 19.131 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.036 HA :: 4.658 HB2 :: 1.446 HB3 :: 1.872 HG2 :: 2.339 HG3 :: 2.447 HE1 :: 1.790 HE2 :: 1.790 HE3 :: 1.790 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 :: 126.717 Ave N Shift Values>> N :: 120.09(3.57) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 K 0.16 Q 0.15 I 0.05 M 0.02 C Shift Assignments>> C :: 178.090 CA :: 58.128 CB :: 29.320 CG :: 35.368 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 :: 8.138 HA :: 4.109 HB2 :: 1.881 HB3 :: 1.918 HG2 :: 2.103 HG3 :: 2.149 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 :: 125.431 Ave N Shift Values>> N :: 120.67(3.48) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.232 CA :: 45.492 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.993 HA2 :: 3.670 HA3 :: 4.054 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.877 Ave N Shift Values>> N :: 109.67(3.87) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.34 R 0.14 Q 0.04 C Shift Assignments>> CA :: 54.257 CB :: 32.310 CG :: 25.244 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 :: 7.437 HA :: 4.443 HB2 :: 1.870 HB3 :: 1.782 HG2 :: 1.130 HG3 :: 1.347 HD2 :: 1.510 HD3 :: 1.510 HE2 :: 2.857 HE3 :: 2.857 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.740 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.23 M 0.22 K 0.16 E 0.03 C Shift Assignments>> C :: 177.033 CA :: 54.135 CB :: 30.344 CG :: 33.592 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 :: 8.887 HA :: 4.410 HB2 :: 1.864 HB3 :: 2.303 HG2 :: 2.350 HG3 :: 2.408 HE21 :: 6.845 HE22 :: 7.554 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.177 NE2 :: 113.398 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 H 0.21 C Shift Assignments>> C :: 177.441 CA :: 61.012 CB :: 30.335 CD2 :: 115.136 CE1 :: 137.975 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.754 HA :: 3.482 HB2 :: 2.933 HB3 :: 3.134 HD2 :: 7.184 HE1 :: 7.582 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 :: 122.337 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G71 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 :: 176.698 CA :: 46.564 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.122 HA2 :: 3.722 HA3 :: 3.860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.830 Ave N Shift Values>> N :: 109.67(3.87) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 L 0.17 Y 0.16 D 0.15 K 0.14 C 0.08 N 0.02 I 0.02 R 0.01 C Shift Assignments>> C :: 178.635 CA :: 56.714 CB :: 40.978 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 :: 7.162 HA :: 4.344 HB2 :: 2.545 HB3 :: 2.894 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 :: 120.107 Ave N Shift Values>> N :: 120.65(3.86) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.386 CA :: 65.855 CB :: 31.315 CG1 :: 22.184 CG2 :: 21.656 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 :: 7.398 HA :: 3.557 HB :: 1.759 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 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 :: 122.322 Ave N Shift Values>> N :: 121.14(4.54) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.S28 1.S28 C Shift Assignments>> C :: 178.154 CA :: 67.618 CB :: 31.787 CG1 :: 23.665 CG2 :: 21.166 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 :: 8.001 HA :: 3.150 HB :: 1.914 HG11 :: 0.667 HG12 :: 0.667 HG13 :: 0.667 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 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 :: 119.039 Ave N Shift Values>> N :: 121.14(4.54) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.661 CA :: 61.808 CB :: 62.299 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.177 HA :: 3.845 HB2 :: 3.827 HB3 :: 3.912 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 :: 113.835 Ave N Shift Values>> N :: 116.28(3.52) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.36 I 0.02 C 0.01 C Shift Assignments>> C :: 180.516 CA :: 54.680 CB :: 17.349 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.740 HA :: 4.089 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.216 Ave N Shift Values>> N :: 123.23(3.54) 1.I77 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 :: 181.771 CA :: 64.846 CB :: 38.166 CG1 :: 29.280 CG2 :: 16.488 CD1 :: 14.047 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 :: 8.155 HA :: 3.417 HB :: 1.875 HG12 :: 0.843 HG13 :: 1.880 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 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 :: 118.575 Ave N Shift Values>> N :: 121.46(4.28) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.39 G 0.05 K 0.04 C Shift Assignments>> C :: 178.362 CA :: 59.996 CB :: 29.526 CG :: 27.762 CD :: 43.046 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 :: 8.818 HA :: 4.057 HB2 :: 1.814 HB3 :: 1.816 HG2 :: 1.783 HG3 :: 1.669 HD2 :: 3.040 HD3 :: 3.040 HE :: 6.907 HH11 :: 6.510 HH12 :: 6.510 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 :: 123.404 NE :: 84.376 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.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 C 0.01 I 0.01 C Shift Assignments>> C :: 178.788 CA :: 54.186 CB :: 18.003 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.242 HA :: 4.107 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.623 Ave N Shift Values>> N :: 123.23(3.54) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.312 CA :: 45.020 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.045 HA2 :: 4.162 HA3 :: 4.162 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.804 Ave N Shift Values>> N :: 109.67(3.87) 1.G81 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 :: 174.502 CA :: 46.587 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.689 HA2 :: 3.609 HA3 :: 4.111 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.024 Ave N Shift Values>> N :: 109.67(3.87) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.13 F 0.09 K 0.07 Y 0.07 C 0.05 C Shift Assignments>> C :: 173.432 CA :: 54.195 CB :: 40.940 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 :: 9.016 HA :: 4.514 HB2 :: 2.576 HB3 :: 2.908 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.759 Ave N Shift Values>> N :: 120.65(3.86) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.34 E 0.09 Q 0.03 C Shift Assignments>> C :: 175.546 CA :: 54.674 CB :: 33.594 CG :: 35.410 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 :: 7.304 HA :: 5.367 HB2 :: 1.857 HB3 :: 1.958 HG2 :: 2.114 HG3 :: 2.114 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 :: 117.594 Ave N Shift Values>> N :: 120.67(3.48) 1.T84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 T 0.42 C Shift Assignments>> C :: 170.743 CA :: 62.334 CB :: 70.329 CG2 :: 18.105 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 :: 8.528 HA :: 4.533 HB :: 3.693 HG1 :: 4.095 HG21 :: 0.288(S) HG22 :: 0.288(S) HG23 :: 0.288(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 :: 114.978 Ave N Shift Values>> N :: 115.42(4.75) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.35 R 0.06 C Shift Assignments>> C :: 175.202 CA :: 54.666 CB :: 34.368 CG :: 24.693 CD :: 29.298 CE :: 41.955 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 :: 7.660 HA :: 4.976 HB2 :: 1.425 HB3 :: 1.660 HG2 :: 1.342 HG3 :: 1.323 HD2 :: 1.488 HD3 :: 1.488 HE2 :: 2.791 HE3 :: 2.791 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 :: 124.718 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.36 C 0.11 A 0.01 R 0.01 C Shift Assignments>> C :: 174.873 CA :: 52.124 CB :: 44.035 CG :: 26.207 CD1 :: 24.232 CD2 :: 25.705 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 :: 8.887 HA :: 5.002 HB2 :: 1.429 HB3 :: 0.832 HG :: 1.358 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 HD21 :: 0.204 HD22 :: 0.204 HD23 :: 0.204 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.405 Ave N Shift Values>> N :: 121.86(3.9) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.18 G 0.12 R 0.02 C Shift Assignments>> C :: 176.281 CA :: 53.652 CB :: 43.518 CG :: 27.168 CD1 :: 24.727 CD2 :: 24.454 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 :: 8.489 HA :: 5.205 HB2 :: 1.320 HB3 :: 1.524 HG :: 1.005 HD11 :: 0.319 HD12 :: 0.319 HD13 :: 0.319 HD21 :: 0.535 HD22 :: 0.535 HD23 :: 0.535 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 :: 127.092 Ave N Shift Values>> N :: 121.86(3.9) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 A 0.04 V 0.01 C Shift Assignments>> C :: 174.723 CA :: 57.977 CB :: 36.408 CG1 :: 20.659 CG2 :: 17.604 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 :: 9.242 HA :: 5.439 HB :: 1.683 HG11 :: 0.413 HG12 :: 0.413 HG13 :: 0.413 HG21 :: 0.595 HG22 :: 0.595 HG23 :: 0.595 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 :: 120.408 Ave N Shift Values>> N :: 121.14(4.54) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.05 C Shift Assignments>> C :: 175.634 CA :: 59.694 CB :: 35.124 CG1 :: 17.340 CG2 :: 23.549 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 :: 7.972 HA :: 4.799 HB :: 2.044 HG11 :: 0.661 HG12 :: 0.661 HG13 :: 0.661 HG21 :: 0.498 HG22 :: 0.498 HG23 :: 0.498 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 :: 107.052 Ave N Shift Values>> N :: 121.14(4.54) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.22 L 0.18 F 0.06 C 0.05 K 0.04 Y 0.04 HN Overlap>> 1.V63 1.V63 C Shift Assignments>> C :: 175.513 CA :: 52.659 CB :: 40.948 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 :: 7.651 HA :: 4.736 HB2 :: 2.513 HB3 :: 3.259 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 :: 121.802 Ave N Shift Values>> N :: 120.65(3.86) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.4 K 0.08 G 0.04 C Shift Assignments>> C :: 179.154 CA :: 59.851 CB :: 29.784 CG :: 26.763 CD :: 43.002 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 :: 8.989 HA :: 4.169 HB2 :: 1.840 HB3 :: 1.774 HG2 :: 1.638 HG3 :: 1.794 HD2 :: 3.124 HD3 :: 3.183 HE :: 7.327 HH11 :: 6.337 HH12 :: 6.883 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 :: 120.219 NE :: 84.526 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.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.26 K 0.06 Q 0.02 C Shift Assignments>> C :: 180.161 CA :: 59.749 CB :: 28.733 CG :: 36.349 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 :: 8.670 HA :: 3.936 HB2 :: 1.854 HB3 :: 1.983 HG2 :: 2.302 HG3 :: 2.227 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 :: 119.058 Ave N Shift Values>> N :: 120.67(3.48) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 T 0.34 C 0.01 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 176.057 CA :: 67.858 CG2 :: 21.915 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 :: 8.479 HA :: 3.872 HG1 :: 6.087 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 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 :: 120.004 Ave N Shift Values>> N :: 115.42(4.75) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 L 0.18 K 0.18 Y 0.15 D 0.14 C 0.08 R 0.02 I 0.02 N 0.01 C Shift Assignments>> C :: 179.003 CA :: 56.769 CB :: 41.215 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 :: 8.768 HA :: 4.389 HB2 :: 2.791 HB3 :: 2.961 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 :: 123.124 Ave N Shift Values>> N :: 120.65(3.86) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.14 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.794 CA :: 59.193 CB :: 29.025 CG :: 35.864 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 :: 8.171 HA :: 3.854 HB2 :: 2.070 HB3 :: 2.012 HG2 :: 2.323 HG3 :: 2.406 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.596 Ave N Shift Values>> N :: 120.67(3.48) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.26 C 0.23 C Shift Assignments>> C :: 177.568 CA :: 60.867 CB :: 39.223 CD1 :: 131.895 CE1 :: 130.498 CZ :: 130.404 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 :: 7.885 HA :: 4.215 HB2 :: 3.236 HB3 :: 3.236 HD1 :: 6.827 HD2 :: 6.827 HE1 :: 6.584 HE2 :: 6.584 HZ :: 7.036 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.300 Ave N Shift Values>> N :: 120.45(4.18) 1.F97 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 F 0.2 Y 0.16 C Shift Assignments>> C :: 178.810 CA :: 64.323 CB :: 36.429 CD2 :: 130.858 CE2 :: 130.788 CZ :: 128.550 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 :: 8.720 HA :: 3.245 HB2 :: 2.926 HB3 :: 3.468 HD1 :: 7.257 HD2 :: 7.257 HE1 :: 6.491 HE2 :: 6.491 HZ :: 6.811 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 :: 119.966 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.26 R 0.16 P 0.03 Q 0.01 V 0.01 C Shift Assignments>> C :: 181.410 CA :: 59.745 CB :: 31.865 CG :: 25.728 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 :: 8.285 HA :: 4.045 HB2 :: 1.816 HB3 :: 1.816 HG2 :: 1.272 HG3 :: 1.576 HE2 :: 2.785 HE3 :: 2.785 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 :: 119.043 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.47 C Shift Assignments>> C :: 179.098 CA :: 58.817 CB :: 31.878 CG :: 25.262 CD :: 29.140 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 :: 7.841 HA :: 3.990 HB2 :: 1.807 HB3 :: 1.934 HG2 :: 1.396 HG3 :: 1.577 HD2 :: 1.602 HE2 :: 2.865 HE3 :: 2.865 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 :: 121.170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.25 R 0.14 P 0.05 L 0.04 Q 0.04 K 0.03 H 0.03 E 0.02 C Shift Assignments>> C :: 173.262 CA :: 60.244 CB :: 26.756 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.260 HA :: 3.965 HB2 :: 2.251 HB3 :: 2.457 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 :: 115.958 Ave N Shift Values>> N :: 120.17(4.64) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.33 R 0.21 G 0.08 K 0.01 C Shift Assignments>> C :: 174.868 CA :: 56.692 CB :: 27.000 CG :: 27.002 CD :: 43.455 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 :: 7.760 HA :: 3.714 HB2 :: 1.725 HB3 :: 1.970 HG2 :: 1.293 HG3 :: 1.424 HD2 :: 2.819 HD3 :: 2.610 HE :: 6.865 HH11 :: 6.146 HH12 :: 6.460 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 :: 115.392 NE :: 84.903 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.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.26 C Shift Assignments>> C :: 174.930 CA :: 60.258 CB :: 36.667 CG1 :: 21.169 CG2 :: 21.359 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 :: 7.370 HA :: 4.185 HB :: 1.413 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.077 Ave N Shift Values>> N :: 121.14(4.54) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.39 A 0.01 C Shift Assignments>> CA :: 57.724 CB :: 37.950 CG1 :: 27.242 CG2 :: 16.069 CD1 :: 11.513 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.516 HA :: 4.187 HB :: 1.706 HG12 :: 1.118 HG13 :: 1.433 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 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 :: 129.413 Ave N Shift Values>> N :: 121.46(4.28) 1.P104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> C :: 175.060 CA :: 62.304 CB :: 30.320 CD :: 50.024 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.923 HB2 :: 0.390(S) HB3 :: 0.977 HG2 :: 1.229 HG3 :: 1.720 HD2 :: 3.420 HD3 :: 3.676 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.S105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 175.721 CA :: 56.216 CB :: 66.601 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.684(S) HA :: 4.393 HB2 :: 3.527 HB3 :: 4.022 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 :: 120.069 Ave N Shift Values>> N :: 116.28(3.52) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.23 K 0.17 E 0.09 R 0.06 I 0.05 C Shift Assignments>> C :: 178.490 CA :: 58.670 CB :: 27.750 CG :: 34.407 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 :: 8.590 HA :: 3.645 HB2 :: 2.029 HB3 :: 2.031 HG2 :: 2.175 HG3 :: 2.357 HE21 :: 6.567 HE22 :: 7.872 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 :: 119.175 NE2 :: 112.313 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.22 K 0.2 E 0.18 I 0.04 R 0.03 C Shift Assignments>> C :: 177.306 CA :: 57.819 CB :: 28.314 CG :: 34.872 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 :: 8.475 HA :: 3.877 HB2 :: 1.401 HB3 :: 1.521 HG2 :: 1.800 HG3 :: 1.800 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 :: 119.805 Ave N Shift Values>> N :: 120.67(3.48) 1.H108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 R 0.16 H 0.14 E 0.13 K 0.12 M 0.12 Q 0.07 V 0.03 C Shift Assignments>> C :: 175.810 CA :: 57.732 CB :: 31.369 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.448 HA :: 4.413 HB2 :: 2.942 HB3 :: 3.489 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.351 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.46 R 0.04 C Shift Assignments>> C :: 177.466 CA :: 57.736 CB :: 41.475 CG :: 27.242 CD1 :: 23.154 CD2 :: 25.731 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 :: 7.450 HA :: 3.979 HB2 :: 1.420 HB3 :: 1.737 HG :: 1.505 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 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 :: 120.389 Ave N Shift Values>> N :: 121.86(3.9) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.15 K 0.08 F 0.05 C 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 174.905 CA :: 52.653 CB :: 41.482 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.981 HA :: 4.730 HB2 :: 2.450 HB3 :: 2.647 HD21 :: 6.833 HD22 :: 7.556 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 :: 111.936 ND2 :: 113.873 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.535 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.826 HA2 :: 4.094 HA3 :: 4.134 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.861 Ave N Shift Values>> N :: 109.67(3.87) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 177.336 CA :: 62.785 CB :: 31.821 CG :: 27.250 CD :: 49.115 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 :: 4.311 HB2 :: 1.753 HB3 :: 2.193 HG2 :: 1.903 HG3 :: 1.974 HD2 :: 3.540 HD3 :: 3.544 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.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.19 A 0.1 R 0.01 C Shift Assignments>> CA :: 52.194 CB :: 41.441 CG :: 27.198 CD1 :: 23.173 CD2 :: 25.690 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 :: 8.323 HA :: 4.620 HB2 :: 1.414 HB3 :: 1.617 HG :: 1.688 HD11 :: 1.141 HD12 :: 1.141 HD13 :: 1.141 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 123.654 Ave N Shift Values>> N :: 121.86(3.9) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> C :: 172.792 CA :: 61.817 CB :: 31.557 CG :: 26.141 CD :: 49.590 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 :: 4.459 HB2 :: 1.687 HB3 :: 2.126 HG2 :: 1.341 HG3 :: 1.451 HD2 :: 3.137 HD3 :: 3.416 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.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.29 A 0.02 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> CA :: 58.229 CB :: 33.091 CG1 :: 19.878 CG2 :: 20.648 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 :: 7.638 HA :: 4.416 HB :: 1.824 HG11 :: 0.764 HG12 :: 0.764 HG13 :: 0.764 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 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 :: 114.359 Ave N Shift Values>> N :: 121.14(4.54) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.961 CA :: 63.310 CB :: 31.833 CG :: 26.683 CD :: 50.619 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.951 HB2 :: 1.623 HB3 :: 1.853 HD2 :: 3.580 HD3 :: 3.580 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.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.39 C 0.2 C Shift Assignments>> C :: 176.110 CA :: 58.205 CB :: 39.420 CD1 :: 131.401 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.916 HA :: 4.401 HB2 :: 2.937 HB3 :: 2.937 HD1 :: 7.125 HD2 :: 7.125 HE1 :: 7.265 HE2 :: 7.265 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.701 Ave N Shift Values>> N :: 120.45(4.18) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 172.888 CA :: 60.812 CB :: 69.906 CG2 :: 21.021 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 :: 8.030 HA :: 4.211 HB :: 4.051 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 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 :: 116.561 Ave N Shift Values>> N :: 115.42(4.75) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.17 F 0.11 Y 0.09 C 0.07 K 0.03 C Shift Assignments>> C :: 176.057 CA :: 54.417 CB :: 40.457 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.816 HA :: 4.347 HB2 :: 2.603 HB3 :: 2.689 HD21 :: 6.836 HD22 :: 7.538 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.472 ND2 :: 112.979 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.960 CA :: 45.024 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.257 HA2 :: 3.799 HA3 :: 3.802 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.570 Ave N Shift Values>> N :: 109.67(3.87) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 K 0.09 Q 0.08 M 0.06 I 0.02 C Shift Assignments>> C :: 176.537 CA :: 56.225 CB :: 29.819 CG :: 36.120 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 :: 8.114 HA :: 4.159 HB2 :: 1.892 HB3 :: 1.814 HG2 :: 2.101 HG3 :: 2.101 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 :: 120.423 Ave N Shift Values>> N :: 120.67(3.48) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.265 CA :: 60.834 CB :: 38.159 CG1 :: 27.174 CG2 :: 17.324 CD1 :: 12.764 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 :: 8.135 HA :: 3.968 HB :: 1.709 HG12 :: 1.056 HG13 :: 1.356 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 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 :: 122.115 Ave N Shift Values>> N :: 121.46(4.28) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.29 C 0.23 M 0.06 R 0.06 E 0.03 C Shift Assignments>> C :: 175.769 CA :: 55.682 CB :: 29.021 CG :: 33.420 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 :: 8.388 HA :: 4.190 HB2 :: 1.847 HB3 :: 1.959 HG2 :: 2.235 HG3 :: 2.235 HE21 :: 6.781 HE22 :: 7.448 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.723 NE2 :: 112.650 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.41 R 0.06 HN Overlap>> 1.K17 1.K17 C Shift Assignments>> C :: 176.601 CA :: 56.251 CB :: 32.843 CG :: 24.842 CE :: 41.980 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 :: 8.317 HA :: 4.154 HB2 :: 1.712 HB3 :: 1.643 HG2 :: 1.291 HG3 :: 1.332 HD3 :: 1.714 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 :: 123.366 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.26 Q 0.17 K 0.15 M 0.06 I 0.01 C Shift Assignments>> C :: 176.185 CA :: 56.225 CB :: 29.584 CG :: 35.479 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 :: 8.437 HA :: 4.145 HB2 :: 1.829 HB3 :: 1.934 HG2 :: 2.179 HG3 :: 2.179 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 :: 121.772 Ave N Shift Values>> N :: 120.67(3.48) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.13 C 0.1 Y 0.07 F 0.06 L 0.03 M 0.01 E 0.01 HN Overlap>> 1.I2 1.I2 C Shift Assignments>> C :: 174.953 CA :: 53.130 CB :: 38.452 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 :: 8.446 HA :: 4.615 HB2 :: 2.650 HB3 :: 2.746 HD21 :: 6.870 HD22 :: 7.564 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 :: 119.545 ND2 :: 112.538 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.400 CA :: 58.357 CB :: 63.561 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.173 HA :: 4.329 HB2 :: 3.764 HB3 :: 3.764 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 :: 116.287 Ave N Shift Values>> N :: 116.28(3.52) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.16 H 0.15 E 0.14 M 0.11 K 0.11 Q 0.09 V 0.02 C Shift Assignments>> CA :: 57.489 CB :: 31.127 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 :: 7.915 HB2 :: 1.605 HB3 :: 1.737 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.502 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Q1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HE21 :: 7.357 HE22 :: 7.507 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) 2.D2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.667 HA :: 3.947 HB2 :: 2.407 HB3 :: 2.727 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) 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.200 HA :: 6.000 HB :: 4.617 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 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) 2.R4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.703 HA :: 4.230 HB2 :: 1.661 HB3 :: 1.757 HG2 :: 1.367 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) 2.L5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.638 HA :: 4.307 HB2 :: 1.457 HB3 :: 1.234 HD11 :: 0.318 HD12 :: 0.318 HD13 :: 0.318 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) ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 128 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 132 #Suspicious: 1 C Shift Results: #Consistent: 508 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 887 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 132 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y22 H = 11.816(S), Expected = 8.32, Std = 0.7300, ChiSquare = 1.6758e-06 1.R56 HG2 = 0.129(S), Expected = 1.57, Std = 0.2700, ChiSquare = 9.4478e-08 1.T84 HG21 = 0.288(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.1194e-04 1.T84 HG22 = 0.288(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.1194e-04 1.T84 HG23 = 0.288(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.1194e-04 1.F97 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.P104 HB2 = 0.390(S), Expected = 2.08, Std = 0.3500, ChiSquare = 1.3752e-06 1.S105 H = 10.684(S), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6098e-05