Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.42 C 0.38 A 0.18 C Shift Assignments>> C :: 171.343 CA :: 55.160 CB :: 33.290 CG :: 30.675 CE :: 17.084 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.227 HB2 :: 2.219 HG2 :: 2.425 HG3 :: 2.646 HE1 :: 2.073 HE2 :: 2.073 HE3 :: 2.073 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.W126 1.W126 C Shift Assignments>> C :: 175.401 CA :: 61.110 CB :: 39.200 CG1 :: 27.585 CG2 :: 17.349 CD1 :: 13.635 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.530 HA :: 4.216 HB :: 1.733 HG12 :: 1.127 HG13 :: 1.470 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.690 Ave N Shift Values>> N :: 121.6(4.72) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.14 C 0.11 K 0.09 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 176.837 CA :: 53.740 CB :: 40.970 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.398 HA :: 4.667 HB2 :: 2.866 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.470 Ave N Shift Values>> N :: 120.73(4.2) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.16 F 0.15 K 0.15 Y 0.13 C 0.13 N 0.03 R 0.03 I 0.01 HN Overlap>> 1.Y144 1.Y144 C Shift Assignments>> C :: 176.309 CA :: 56.170 CB :: 40.920 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.433 HA :: 4.437 HB2 :: 2.639 HB3 :: 2.735 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.200 Ave N Shift Values>> N :: 120.73(4.2) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.544 CA :: 53.980 CB :: 40.950 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.099 HA :: 4.602 HB2 :: 2.802 HB3 :: 3.000 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.220 Ave N Shift Values>> N :: 120.73(4.2) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.797 CA :: 45.580 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.326 HA2 :: 3.703 HA3 :: 4.187 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.440 Ave N Shift Values>> N :: 109.91(4.29) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.664 CA :: 56.710 CB :: 39.210 CD1 :: 132.868 CE1 :: 117.830 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.233 HA :: 4.547 HB2 :: 2.088 HB3 :: 2.969 HD1 :: 6.749 HE1 :: 6.541 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.240 Ave N Shift Values>> N :: 120.79(4.69) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.34 G 0.16 K 0.08 C Shift Assignments>> CA :: 53.560 CB :: 31.993 CG :: 27.140 CD :: 43.643 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.380 HA :: 5.057 HB2 :: 1.968 HB3 :: 1.992 HG2 :: 2.011 HD2 :: 3.269 HD3 :: 3.329 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.050 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P9 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 :: 177.306 CA :: 62.450 CB :: 32.750 CG :: 27.437 CD :: 51.212 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.295 HB2 :: 1.915 HB3 :: 2.125 HG2 :: 1.980 HG3 :: 2.304 HD2 :: 4.060 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 C 0.1 D 0.01 C Shift Assignments>> C :: 172.909 CA :: 52.980 CB :: 45.270(S) CG :: 175.342 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.483 HA :: 5.429 HB2 :: 2.545 HB3 :: 2.659 HD21 :: 7.146 HD22 :: 6.631 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.760 ND2 :: 109.988 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.17 A 0.02 I 0.01 C Shift Assignments>> C :: 174.169 CA :: 58.510 CB :: 35.300 CG1 :: 19.076 CG2 :: 21.479 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.223 HA :: 5.470 HB :: 1.864 HG11 :: 0.714 HG12 :: 0.714 HG13 :: 0.714 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.040 Ave N Shift Values>> N :: 121.02(4.96) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 172.704 CA :: 42.690 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.843 HA2 :: 4.282 HA3 :: 4.255 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.338 Ave N Shift Values>> N :: 109.91(4.29) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.4 G 0.02 HN Overlap>> 1.V137 1.V137 C Shift Assignments>> C :: 173.701 CA :: 61.220 CB :: 42.040 CG1 :: 27.419 CG2 :: 19.447 CD1 :: 14.126 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.902 HA :: 4.695 HB :: 1.536 HG12 :: 0.609 HG13 :: 1.297 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.470 Ave N Shift Values>> N :: 121.6(4.72) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.257 CA :: 61.340 CB :: 32.430 CG1 :: 20.303 CG2 :: 21.334 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.042 HA :: 3.845 HB :: 2.007 HG11 :: 0.417 HG12 :: 0.417 HG13 :: 0.417 HG21 :: 0.556 HG22 :: 0.556 HG23 :: 0.556 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.670 Ave N Shift Values>> N :: 121.02(4.96) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.166 CA :: 60.410 CB :: 39.170 CG1 :: 29.303 CG2 :: 18.412 CD1 :: 14.161 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.220 HA :: 4.892 HB :: 1.823 HG12 :: 1.611 HG13 :: 0.720 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.140 Ave N Shift Values>> N :: 121.6(4.72) 1.C16 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.2 C 0.18 K 0.16 Q 0.1 H 0.09 R 0.09 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 177.524 CA :: 54.970 CB :: 32.580 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.580 HA :: 6.484(A) HB2 :: 2.639 HB3 :: 3.120 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.370 Ave N Shift Values>> N :: 119.95(4.79) 1.N17 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.4 C 0.39 N 0.19 G 0.01 HN Overlap>> 1.Q48 1.Q48 C Shift Assignments>> C :: 174.965 CA :: 49.750 CB :: 38.590 CG :: 179.651(A) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.780 HA :: 4.943 HB2 :: 1.483(S) HB3 :: 3.029 HD21 :: 7.342 HD22 :: 6.540 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.057 ND2 :: 110.954 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.06 L 0.02 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> C :: 176.014 CA :: 58.190 CB :: 29.470 CG :: 27.684 CD :: 43.416 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.087 HA :: 4.078 HB2 :: 1.755 HB3 :: 1.967 HG2 :: 1.565 HG3 :: 1.686 HD2 :: 3.201 HE :: 7.289 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.100 NE :: 110.755 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.37 E 0.24 C Shift Assignments>> C :: 176.173 CA :: 55.330 CB :: 28.760 CG :: 34.384 CD :: 180.589 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.420 HA :: 4.445 HB2 :: 1.770 HB3 :: 2.143 HG2 :: 2.130 HG3 :: 2.225 HE21 :: 7.320 HE22 :: 6.673 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.460 NE2 :: 111.465 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 174.164 CA :: 46.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.219 HA2 :: 3.383 HA3 :: 3.992 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.120 Ave N Shift Values>> N :: 109.91(4.29) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.39 E 0.18 C Shift Assignments>> C :: 175.302 CA :: 54.570 CB :: 31.130 CG :: 34.350 CD :: 179.706 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.512 HA :: 4.819 HB2 :: 1.818 HG2 :: 2.025 HG3 :: 2.102 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.750 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 V 0.12 I 0.04 A 0.02 C Shift Assignments>> C :: 176.137 CA :: 58.500 CB :: 35.980 CG1 :: 19.516 CG2 :: 22.664 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.076 HA :: 6.069(S) HB :: 2.288 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 108.307 Ave N Shift Values>> N :: 121.02(4.96) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.45 A 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 174.218 CA :: 57.361 CB :: 32.930 CE :: 17.084 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.954 HA :: 4.249 HB2 :: 2.152 HE1 :: 1.309 HE2 :: 1.309 HE3 :: 1.309 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.780 Ave N Shift Values>> N :: 120.1(3.88) 1.W24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.7 Y 0.28 C Shift Assignments>> C :: 174.467 CA :: 54.910 CD1 :: 127.380 CZ2 :: 118.039(S) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.350 HA :: 4.244 HB2 :: 2.506 HD1 :: 6.326 HE1 :: 9.894 HZ2 :: 6.450 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 108.110 NE1 :: 129.634 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.73 M 0.13 L 0.06 C 0.06 C Shift Assignments>> C :: 173.418 CA :: 51.310 CB :: 21.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.868 HA :: 5.080 HB1 :: 0.397(S) HB2 :: 0.397(S) HB3 :: 0.397(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.760 Ave N Shift Values>> N :: 123.23(3.7) 1.R26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.17 Q 0.13 C 0.13 R 0.13 W 0.11 E 0.1 K 0.09 M 0.08 C Shift Assignments>> C :: 177.470 CA :: 54.670 CB :: 30.010 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.835 HA :: 3.486 HB2 :: 0.568(S) HB3 :: 0.976 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.750 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.33 K 0.24 G 0.01 C Shift Assignments>> C :: 175.835 CA :: 56.370 CB :: 30.360 CG :: 27.900 CD :: 42.500 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.596 HA :: 4.323 HB2 :: 1.583 HG2 :: 1.640 HG3 :: 1.421 HD2 :: 3.160 HD3 :: 2.940 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.650 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.35 C 0.24 C Shift Assignments>> C :: 177.079 CA :: 59.570 CB :: 39.680 CD1 :: 131.756 CE1 :: 130.430 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.380 HA :: 3.751 HB2 :: 2.432 HB3 :: 2.845 HD1 :: 7.053 HE1 :: 7.340 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.760 Ave N Shift Values>> N :: 120.69(4.18) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.880 CA :: 45.910 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.446 HA2 :: 3.238 HA3 :: 3.868 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.280 Ave N Shift Values>> N :: 109.91(4.29) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.27 Q 0.21 K 0.08 E 0.08 C Shift Assignments>> C :: 175.462 CA :: 54.980 CB :: 31.330 CG :: 33.541 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.068 HA :: 4.387 HB2 :: 1.719 HB3 :: 2.207 HG2 :: 2.269 HE21 :: 7.579 HE22 :: 6.751 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.478 NE2 :: 112.025 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 C 0.31 W 0.27 C Shift Assignments>> C :: 173.489 CA :: 54.670 CB :: 27.290 CD2 :: 119.868 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.407 HA :: 4.592 HB2 :: 3.207 HB3 :: 3.500 HD2 :: 7.317 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.730 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 172.156 CA :: 57.320 CB :: 65.110 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.858 HA :: 4.840 HB2 :: 3.851 HB3 :: 3.891 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.230 Ave N Shift Values>> N :: 116.3(3.95) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.48 H 0.01 C Shift Assignments>> C :: 175.876 CA :: 55.880 CB :: 31.420 CD1 :: 127.383 CZ2 :: 114.993 CH2 :: 123.931 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.411 HA :: 4.292 HB2 :: 3.510 HD1 :: 7.254 HE1 :: 10.237 HZ2 :: 7.450 HH2 :: 6.945 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.280 NE1 :: 130.306 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.14 E 0.13 Q 0.13 K 0.13 H 0.12 C 0.11 R 0.1 I 0.04 M 0.03 L 0.01 HN Overlap>> 1.K89 1.K89 C Shift Assignments>> C :: 175.671 CA :: 57.700 CB :: 29.270 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.105 HA :: 4.633 HB2 :: 3.273(S) HB3 :: 3.335(S) HG2 :: 1.683 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.360 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.32 C 0.3 C Shift Assignments>> CA :: 54.010 CB :: 40.950 CD1 :: 131.649 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.999 HA :: 4.584 HB2 :: 2.607 HB3 :: 2.423 HD1 :: 7.043 HE1 :: 7.000 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.910 Ave N Shift Values>> N :: 120.69(4.18) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 173.929 CA :: 64.740 CB :: 31.695 CG :: 27.937 CD :: 50.400 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.695 HB2 :: 1.880 HB3 :: 2.520 HG2 :: 2.140 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 Q 0.16 E 0.03 N 0.02 C Shift Assignments>> C :: 175.209 CA :: 54.970 CB :: 33.030 CG :: 33.820 CD :: 178.009 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.074 HA :: 5.243 HB2 :: 2.069 HB3 :: 2.109 HG2 :: 2.214 HG3 :: 2.293 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.680 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 172.067 CA :: 45.470 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.652 HA2 :: 3.947 HA3 :: 4.380 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.338 Ave N Shift Values>> N :: 109.91(4.29) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 172.672 CA :: 45.430 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.461 HA2 :: 3.806 HA3 :: 4.375 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.300 Ave N Shift Values>> N :: 109.91(4.29) 1.I40 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 :: 175.959 CA :: 61.200 CB :: 39.720 CG1 :: 28.228 CG2 :: 17.611 CD1 :: 14.481 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.318 HA :: 3.967 HB :: 1.510 HG12 :: 0.820 HG13 :: 1.550 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 HD11 :: 1.085 HD12 :: 1.085 HD13 :: 1.085 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.870 Ave N Shift Values>> N :: 121.6(4.72) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.24 D 0.04 C Shift Assignments>> CA :: 51.380 CB :: 37.010 CG :: 176.133 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.251 HA :: 5.133 HB2 :: 2.493 HB3 :: 2.812 HD21 :: 7.475 HD22 :: 7.065 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.420 ND2 :: 111.675 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.879 CA :: 64.790 CB :: 31.410 CG :: 28.044 CD :: 50.548 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.354 HB2 :: 1.895 HB3 :: 2.339 HG2 :: 2.063 HG3 :: 2.202 HD2 :: 3.613 HD3 :: 3.900 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.022 CA :: 45.530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.729 HA2 :: 3.712 HA3 :: 4.210 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.230 Ave N Shift Values>> N :: 109.91(4.29) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.27 M 0.17 I 0.01 C Shift Assignments>> C :: 177.061 CA :: 55.650 CB :: 32.220 CG :: 37.241 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.847 HA :: 4.652 HB2 :: 2.246 HG2 :: 2.218 HG3 :: 2.299 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.300 Ave N Shift Values>> N :: 120.68(3.68) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.124 CA :: 56.720 CB :: 65.640 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.561 HA :: 4.726 HB2 :: 4.096 HB3 :: 4.489 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.700 Ave N Shift Values>> N :: 116.3(3.95) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.18 I 0.09 C 0.03 C Shift Assignments>> C :: 178.483 CA :: 56.150 CB :: 17.630 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.154 HA :: 4.029 HB1 :: 1.565 HB2 :: 1.565 HB3 :: 1.565 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.320 Ave N Shift Values>> N :: 123.23(3.7) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.35 E 0.23 M 0.01 K 0.01 HN Overlap>> 1.Q95 1.Q95 C Shift Assignments>> C :: 177.559 CA :: 60.290 CB :: 30.080 CG :: 37.611 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.605 HA :: 3.296 HB2 :: 1.871 HB3 :: 2.187 HG2 :: 1.973 HG3 :: 2.225 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.800 Ave N Shift Values>> N :: 120.68(3.68) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.34 E 0.23 HN Overlap>> 1.N17 1.N17 C Shift Assignments>> C :: 179.729 CA :: 59.320 CB :: 28.540 CG :: 34.376 CD :: 180.237 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.787 HA :: 4.091 HB2 :: 2.147 HB3 :: 2.388 HG2 :: 2.530 HE21 :: 7.566 HE22 :: 6.910 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.100 NE2 :: 111.500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.31 C 0.07 L 0.07 V 0.03 T 0.02 I 0.01 C Shift Assignments>> C :: 175.892 CA :: 55.330 CB :: 20.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.398 HA :: 4.113 HB1 :: 1.554 HB2 :: 1.554 HB3 :: 1.554 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.880 Ave N Shift Values>> N :: 123.23(3.7) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 M 0.11 I 0.01 HN Overlap>> 1.Q114 1.Q114 C Shift Assignments>> C :: 177.594 CA :: 60.310 CB :: 28.300 CG :: 31.041 CE :: 14.958 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.212 HA :: 3.394 HB2 :: 1.247 HB3 :: 1.623 HG2 :: 1.545 HG3 :: 1.638 HE1 :: 0.547 HE2 :: 0.547 HE3 :: 0.547 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.120 Ave N Shift Values>> N :: 120.1(3.88) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 HN Overlap>> 1.T162 1.T162 C Shift Assignments>> C :: 179.799 CA :: 62.820 CB :: 37.760 CD1 :: 133.470 CE1 :: 117.612 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.015 HA :: 4.129 HB2 :: 2.724 HB3 :: 2.980 HD1 :: 7.081 HE1 :: 6.508 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 120.79(4.69) 1.R52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.38 C 0.33 R 0.2 L 0.05 G 0.01 C Shift Assignments>> C :: 178.288 CA :: 60.280 CB :: 29.080 CG :: 25.610 CD :: 42.074 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.181 HA :: 4.298 HB2 :: 2.076 HB3 :: 1.798 HG2 :: 1.634 HG3 :: 1.815 HD2 :: 3.450 HD3 :: 3.043 HE :: 9.726(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.330 NE :: 106.900 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.23 K 0.23 Q 0.15 M 0.02 E 0.01 P 0.01 C Shift Assignments>> C :: 178.164 CA :: 58.460 CB :: 27.410 CG :: 32.477 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.621 HA :: 4.190 HB2 :: 1.809 HG2 :: 2.033 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.680 Ave N Shift Values>> N :: 120.68(3.68) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.35 R 0.09 G 0.04 C Shift Assignments>> C :: 178.999 CA :: 58.190 CB :: 42.680 CG :: 25.858 CD1 :: 26.414 CD2 :: 24.529 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.974 HA :: 3.707 HB2 :: 1.569 HB3 :: 2.014 HG :: 1.632 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.714 HD22 :: 0.714 HD23 :: 0.714 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.291 Ave N Shift Values>> N :: 121.98(4.07) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.36 C 0.22 C Shift Assignments>> C :: 178.239 CA :: 62.245 CB :: 39.310 CD1 :: 131.649 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.769 HA :: 4.382 HB2 :: 3.148 HB3 :: 3.433 HD1 :: 7.074 HE1 :: 7.290 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.010 Ave N Shift Values>> N :: 120.69(4.18) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.19 K 0.04 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.417 CA :: 59.580 CB :: 30.120 CG :: 36.476 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.715 HA :: 3.767 HB2 :: 2.020 HB3 :: 2.104 HG2 :: 2.430 HG3 :: 2.682 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.170 Ave N Shift Values>> N :: 120.68(3.68) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.19 E 0.16 M 0.1 R 0.02 I 0.01 C Shift Assignments>> C :: 177.369 CA :: 57.200 CB :: 29.835 CG :: 34.080 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.702 HA :: 4.694 HB2 :: 2.200 HB3 :: 2.273 HG2 :: 2.897 HG3 :: 2.328 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 111.570 Ave N Shift Values>> N :: 120.68(3.68) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 174.952 CA :: 60.640 CB :: 33.550 CG1 :: 21.501 CG2 :: 23.619 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.269 HA :: 4.436 HB :: 2.294 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.110 Ave N Shift Values>> N :: 121.02(4.96) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 173.868 CA :: 46.830 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.531 HA2 :: 3.591 HA3 :: 4.087 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.740 Ave N Shift Values>> N :: 109.91(4.29) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.21 C 0.19 A 0.15 R 0.04 C Shift Assignments>> C :: 175.627 CA :: 53.740 CB :: 43.920 CG :: 26.149 CD1 :: 26.415 CD2 :: 22.047 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.690 HA :: 4.678 HB2 :: 1.352 HB3 :: 1.434 HG :: 1.475 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 HD21 :: 0.620 HD22 :: 0.620 HD23 :: 0.620 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.280 Ave N Shift Values>> N :: 121.98(4.07) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 174.952 CA :: 57.380 CB :: 66.230 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.464 HA :: 4.815 HB2 :: 3.929 HB3 :: 4.013 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.447 Ave N Shift Values>> N :: 116.3(3.95) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.07 K 0.07 L 0.01 HN Overlap>> 1.K149 1.K149 C Shift Assignments>> C :: 178.062 CA :: 60.060 CB :: 29.830 CG :: 27.094 CD :: 43.169 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.322 HA :: 3.834 HB2 :: 1.416 HB3 :: 1.462 HG2 :: 0.893 HG3 :: 1.251 HD2 :: 2.735 HE :: 6.838 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.740 NE :: 110.552 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.33 R 0.26 M 0.04 G 0.01 C Shift Assignments>> C :: 177.226 CA :: 57.460 CB :: 31.430 CG :: 23.998 CD :: 29.309 CE :: 42.358 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.826 HA :: 4.235 HB2 :: 1.799 HB3 :: 1.833 HG2 :: 1.272 HG3 :: 1.300 HD2 :: 1.633 HD3 :: 1.571 HE2 :: 3.011 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.570 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.26 L 0.25 R 0.22 C 0.14 F 0.03 D 0.02 Y 0.02 K 0.01 HN Overlap>> 1.T162 1.T162 C Shift Assignments>> C :: 176.053 CA :: 56.270 CB :: 44.446 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.908 HA :: 4.730 HB2 :: 2.931 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.090 Ave N Shift Values>> N :: 120.73(4.2) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.1 A 0.02 C Shift Assignments>> C :: 174.312 CA :: 58.260 CB :: 37.800 CG1 :: 17.084 CG2 :: 21.865 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.472 HA :: 5.753 HB :: 1.998 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 108.530 Ave N Shift Values>> N :: 121.02(4.96) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.22 G 0.17 K 0.12 C Shift Assignments>> C :: 175.822 CA :: 54.220 CB :: 33.850 CG :: 27.308 CD :: 43.640 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.447 HA :: 4.825 HB2 :: 1.666 HB3 :: 1.719 HG2 :: 1.464 HG3 :: 1.548 HD2 :: 3.164 HE :: 7.062 HH21 :: 6.662 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.790 NE :: 110.338 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 176.373 CA :: 63.000 CB :: 38.070 CG1 :: 27.667 CG2 :: 17.612 CD1 :: 13.894 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.091 HA :: 4.109 HB :: 1.851 HG12 :: 0.689 HG13 :: 1.657 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.450 Ave N Shift Values>> N :: 121.6(4.72) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.24 G 0.14 A 0.12 R 0.02 C Shift Assignments>> C :: 177.084 CA :: 55.250 CB :: 43.650 CG :: 26.115 CD1 :: 24.780 CD2 :: 21.598 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.333 HA :: 4.456 HB2 :: 1.280 HB3 :: 1.393 HG :: 0.645 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.300 Ave N Shift Values>> N :: 121.98(4.07) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 L 0.28 M 0.15 C 0.12 K 0.02 C Shift Assignments>> C :: 174.454 CA :: 51.880 CB :: 22.140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.872 HA :: 4.610 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.750 Ave N Shift Values>> N :: 123.23(3.7) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 174.703 CA :: 56.930 CB :: 65.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.279 HA :: 5.215 HB2 :: 3.064 HB3 :: 3.454 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.780 Ave N Shift Values>> N :: 116.3(3.95) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 175.795 CA :: 60.910 CB :: 69.940 CG2 :: 23.307 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.678 HA :: 4.314 HB :: 4.550 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.820 Ave N Shift Values>> N :: 115.7(5.05) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.09 G 0.07 C Shift Assignments>> C :: 176.843 CA :: 58.230 CB :: 30.470 CG :: 27.238 CD :: 43.375 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.226 HA :: 3.992 HB2 :: 1.840 HG2 :: 1.683 HG3 :: 1.740 HD2 :: 3.238 HE :: 7.015 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.350 NE :: 110.338 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.45 N 0.42 C 0.12 C Shift Assignments>> C :: 174.569 CA :: 51.350 CB :: 40.840 CG :: 177.234 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.419 HA :: 4.937 HB2 :: 2.675 HB3 :: 2.947 HD21 :: 7.655 HD22 :: 7.023 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.820 ND2 :: 113.573 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.47 H 0.04 C Shift Assignments>> C :: 176.506 CA :: 57.210 CB :: 29.760 CD1 :: 128.302 CZ2 :: 114.953 CH2 :: 124.450 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.399 HA :: 4.531 HB2 :: 2.866 HB3 :: 2.949 HD1 :: 7.471 HE1 :: 10.358 HZ2 :: 7.604 HH2 :: 7.143 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.590 NE1 :: 130.487 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.3 C 0.27 G 0.08 K 0.01 C Shift Assignments>> C :: 176.772 CA :: 55.060 CB :: 43.380 CG :: 28.540 CD1 :: 26.116 CD2 :: 25.050 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.397 HA :: 4.709 HB2 :: 1.798 HB3 :: 1.988 HG :: 1.902 HD11 :: 1.016 HD12 :: 1.016 HD13 :: 1.016 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.030 Ave N Shift Values>> N :: 121.98(4.07) 1.R76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.27 G 0.02 C Shift Assignments>> C :: 175.599 CA :: 55.570 CB :: 32.890 CG :: 28.242 CD :: 42.653 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.738 HA :: 5.269 HB2 :: 1.462 HB3 :: 1.608 HG2 :: 0.930 HG3 :: 1.397 HD2 :: 2.272(S) HD3 :: 2.704 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.190 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y77 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.F100 1.F100 C Shift Assignments>> C :: 173.911 CA :: 56.770 CB :: 40.980 CD1 :: 133.481 CD2 :: 118.039(A) CE1 :: 118.040 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.768 HA :: 5.026 HB2 :: 3.147 HB3 :: 3.190 HD1 :: 7.053 HD2 :: 6.550 HE1 :: 6.846 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.320 Ave N Shift Values>> N :: 120.79(4.69) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.34 R 0.27 M 0.01 C Shift Assignments>> C :: 176.790 CA :: 56.130 CB :: 33.820 CG :: 25.862 CD :: 29.568 CE :: 42.143 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.801 HA :: 4.649 HB2 :: 1.762 HB3 :: 1.948 HG2 :: 1.465 HG3 :: 1.657 HD2 :: 1.765 HE2 :: 3.022 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.830 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.24 R 0.08 A 0.03 G 0.01 C Shift Assignments>> CA :: 53.200 CB :: 41.790 CG :: 27.978 CD1 :: 25.382 CD2 :: 23.459 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.199 HA :: 4.209 HB2 :: 1.163 HB3 :: 1.231 HG :: 1.338 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.030 Ave N Shift Values>> N :: 121.98(4.07) 1.P80 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 :: 177.430 CA :: 62.777 CB :: 32.226 CG :: 27.710 CD :: 50.291 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.447 HB2 :: 1.731 HB3 :: 2.410 HG2 :: 1.795 HG3 :: 1.917 HD2 :: 3.121 HD3 :: 3.320 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.2 G 0.01 M 0.01 C Shift Assignments>> C :: 179.118 CA :: 60.380 CB :: 32.650 CG :: 25.585 CD :: 29.601 CE :: 42.099 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.572 HA :: 4.013 HB2 :: 1.976 HB3 :: 2.011 HG2 :: 1.618 HG3 :: 1.709 HD2 :: 1.787 HE2 :: 3.041 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.010 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.1 G 0.05 L 0.03 C Shift Assignments>> C :: 176.595 CA :: 57.990 CB :: 29.570 CG :: 27.178 CD :: 43.146 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.510 HA :: 4.361 HB2 :: 1.833 HB3 :: 1.977 HG2 :: 1.553 HG3 :: 1.620 HD2 :: 3.246 HE :: 7.386 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.770 NE :: 110.744 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.23 R 0.12 G 0.06 A 0.06 C Shift Assignments>> C :: 176.417 CA :: 54.276 CB :: 43.090 CG :: 27.437 CD1 :: 25.423 CD2 :: 22.680 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.970 HA :: 4.456 HB2 :: 1.566 HB3 :: 1.704 HG :: 1.473 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.390 Ave N Shift Values>> N :: 121.98(4.07) 1.V84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.78 C 0.2 C Shift Assignments>> C :: 175.653 CA :: 63.570 CB :: 32.570 CG1 :: 20.007 CG2 :: 23.192 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.095 HA :: 3.520 HB :: 1.611 HG11 :: -0.379(S) HG12 :: -0.379(S) HG13 :: -0.379(S) HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.980 Ave N Shift Values>> N :: 121.02(4.96) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.25 K 0.2 L 0.12 G 0.04 C Shift Assignments>> C :: 175.937 CA :: 53.700 CB :: 29.304 CG :: 26.381 CD :: 42.852 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.386 HA :: 4.551 HB2 :: 1.746 HB3 :: 1.914 HG2 :: 1.552 HG3 :: 1.700 HD2 :: 3.189 HE :: 7.857 HH21 :: 6.737 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.994 NE :: 110.958 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.W86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.724 CA :: 58.570 CB :: 29.304 CD1 :: 128.193 CE3 :: 121.300 CZ2 :: 114.597 CZ3 :: 121.490 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.081 HA :: 4.382 HB2 :: 3.001 HB3 :: 3.517 HD1 :: 7.340 HE1 :: 9.970 HE3 :: 7.688 HZ2 :: 7.395 HZ3 :: 7.146 HH2 :: 7.101 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.150 NE1 :: 129.007 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.24 C 0.13 L 0.1 F 0.09 Y 0.09 K 0.02 C Shift Assignments>> C :: 175.777 CA :: 54.010 CB :: 39.930 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.793 HA :: 4.604 HB2 :: 2.600 HB3 :: 2.832 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.820 Ave N Shift Values>> N :: 120.73(4.2) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.099 CA :: 60.917 CB :: 70.746 CG2 :: 20.803 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.212 HA :: 4.403 HB :: 4.062 HG21 :: 1.084 HG22 :: 1.084 HG23 :: 1.084 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.180 Ave N Shift Values>> N :: 115.7(5.05) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.34 R 0.14 G 0.02 M 0.01 HN Overlap>> 1.Q34 1.Q34 C Shift Assignments>> CA :: 53.240 CB :: 34.080 CG :: 24.788 CD :: 29.038 CE :: 42.299 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.150 HA :: 4.521 HB2 :: 1.674 HB3 :: 1.719 HG2 :: 1.333 HG3 :: 1.426 HD2 :: 1.661 HE2 :: 3.006 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.350 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 P 0.4 C Shift Assignments>> C :: 175.848 CA :: 62.777 CB :: 34.351 CG :: 25.053 CD :: 50.291 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.656 HB2 :: 1.925 HB3 :: 2.389 HG2 :: 1.794 HG3 :: 1.915 HD2 :: 3.508 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.475 CA :: 63.042 CB :: 32.492 CG1 :: 20.847 CG2 :: 22.131 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.349 HA :: 3.760 HB :: 1.767 HG11 :: 0.363 HG12 :: 0.363 HG13 :: 0.363 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.690 Ave N Shift Values>> N :: 121.02(4.96) 1.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 L 0.14 C 0.12 Q 0.12 K 0.1 H 0.08 W 0.08 I 0.06 E 0.06 C Shift Assignments>> C :: 174.498 CA :: 57.430 CB :: 27.180 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.358 HA :: 4.751 HB2 :: 2.642 HB3 :: 2.725 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.791 Ave N Shift Values>> N :: 119.95(4.79) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 176.595 CA :: 60.280 CB :: 39.380 CG1 :: 26.111 CG2 :: 18.943 CD1 :: 14.161 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.755 HA :: 4.318 HB :: 1.830 HG12 :: 0.576 HG13 :: 0.780 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 HD11 :: 0.596 HD12 :: 0.596 HD13 :: 0.596 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.710 Ave N Shift Values>> N :: 121.6(4.72) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 171.228 CA :: 46.040 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.697 HA2 :: 3.980 HA3 :: 4.222 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.110 Ave N Shift Values>> N :: 109.91(4.29) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 Q 0.3 E 0.04 N 0.01 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 174.036 CA :: 54.270 CB :: 32.490 CG :: 33.555 CD :: 178.713 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.585 HA :: 5.353 HB2 :: 1.672 HB3 :: 2.020 HG2 :: 2.266 HG3 :: 2.357 HE21 :: 7.213 HE22 :: 6.658 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.800 NE2 :: 109.436 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.34 R 0.08 M 0.03 A 0.01 C Shift Assignments>> C :: 175.013 CA :: 53.478 CB :: 35.920 CG :: 24.255 CD :: 29.630 CE :: 41.439 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.668 HA :: 5.606 HB2 :: 1.260 HB3 :: 1.481 HG2 :: 0.787 HG3 :: 0.836 HD2 :: 0.911 HE2 :: 2.097(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.306 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 Q 0.09 N 0.03 E 0.01 C Shift Assignments>> C :: 175.475 CA :: 54.430 CB :: 33.590 CG :: 33.675 CD :: 177.951 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.889 HA :: 5.891(S) HB2 :: 1.908 HB3 :: 2.269 HG2 :: 2.243 HG3 :: 2.110 HE21 :: 7.190 HE22 :: 6.359 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.220 NE2 :: 108.128 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.11 M 0.01 C Shift Assignments>> C :: 174.267 CA :: 54.800 CB :: 34.080 CG :: 25.319 CD :: 28.507 CE :: 41.527 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.154 HA :: 4.266 HB2 :: 0.237(S) HB3 :: 1.144 HG2 :: 0.523 HG3 :: 0.588 HD2 :: 0.747(S) HD3 :: 0.913 HE2 :: 1.776(S) HE3 :: 1.979(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.040 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 H 0.27 W 0.26 C Shift Assignments>> C :: 175.209 CA :: 56.520 CB :: 31.710 CD1 :: 123.935 CE3 :: 119.665 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.881 HA :: 5.300 HB2 :: 2.900 HB3 :: 3.038 HD1 :: 6.780 HE1 :: 9.927 HE3 :: 7.223 HZ2 :: 7.530 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.920 NE1 :: 129.634 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.2 C 0.14 G 0.1 F 0.07 K 0.05 Y 0.04 D 0.02 HN Overlap>> 1.Y77 1.Y77 C Shift Assignments>> C :: 172.134 CA :: 57.590 CB :: 43.700 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.715 HA :: 4.794 HB2 :: 2.703 HD2 :: 7.091 HE2 :: 6.938 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.310 Ave N Shift Values>> N :: 120.69(4.18) 1.L101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.35 C 0.29 L 0.25 R 0.07 C Shift Assignments>> C :: 174.675 CA :: 52.682 CB :: 41.520 CG :: 27.179 CD1 :: 21.865 CD2 :: 26.913 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.483 HA :: 5.010 HB2 :: -0.818(S) HB3 :: 0.998 HG :: 1.056 HD11 :: 0.611 HD12 :: 0.611 HD13 :: 0.611 HD21 :: 0.511 HD22 :: 0.511 HD23 :: 0.511 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.820 Ave N Shift Values>> N :: 121.98(4.07) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.16 L 0.07 R 0.01 C Shift Assignments>> C :: 175.315 CA :: 52.150 CB :: 45.540 CG :: 27.700 CD1 :: 25.384 CD2 :: 27.444 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.655 HA :: 5.326 HB2 :: 1.200 HB3 :: 1.647 HG :: 1.512 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.470 Ave N Shift Values>> N :: 121.98(4.07) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Q 0.31 E 0.16 C Shift Assignments>> C :: 176.204 CA :: 53.744 CB :: 31.429 CG :: 33.554 CD :: 181.058 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.093 HA :: 5.084 HB2 :: 1.756 HB3 :: 1.889 HG2 :: 2.060 HE21 :: 7.004 HE22 :: 6.814 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.910 NE2 :: 108.698 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.31 L 0.12 K 0.12 G 0.02 C Shift Assignments>> C :: 176.399 CA :: 55.770 CB :: 42.587 CG :: 29.038 CD1 :: 24.523 CD2 :: 27.179 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.751 HA :: 4.664 HB2 :: 1.298 HB3 :: 2.118 HG :: 1.436 HD11 :: 0.977 HD12 :: 0.977 HD13 :: 0.977 HD21 :: 1.054 HD22 :: 1.054 HD23 :: 1.054 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.010 Ave N Shift Values>> N :: 121.98(4.07) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.986 CA :: 62.511 CB :: 32.492 CG1 :: 19.599 CG2 :: 21.865 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.891 HA :: 4.417 HB :: 2.155 HG11 :: 0.734 HG12 :: 0.734 HG13 :: 0.734 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.860 Ave N Shift Values>> N :: 121.02(4.96) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.343 CA :: 57.464 CB :: 64.636 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.332 HA :: 4.716 HB2 :: 3.910 HB3 :: 4.096 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.730 Ave N Shift Values>> N :: 116.3(3.95) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.911 CA :: 45.509 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.472 HA2 :: 4.090 HA3 :: 4.216 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.294 Ave N Shift Values>> N :: 109.91(4.29) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 Y 0.16 L 0.14 C 0.14 D 0.14 K 0.13 N 0.03 I 0.02 R 0.02 C Shift Assignments>> C :: 178.212 CA :: 56.667 CB :: 40.727 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.503 HA :: 4.356 HB2 :: 3.011 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.450 Ave N Shift Values>> N :: 120.73(4.2) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.34 C 0.02 C Shift Assignments>> C :: 179.243 CA :: 53.770 CB :: 18.677 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.293 HA :: 4.320 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.050 Ave N Shift Values>> N :: 123.23(3.7) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 K 0.16 Q 0.12 M 0.05 I 0.03 HN Overlap>> 1.F151 1.F151 C Shift Assignments>> C :: 176.666 CA :: 56.401 CB :: 29.290 CG :: 35.680 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.731 HA :: 4.168 HB2 :: 1.867 HB3 :: 2.122 HG2 :: 2.415 HG3 :: 2.514 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.050 Ave N Shift Values>> N :: 120.68(3.68) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 175.990 CA :: 63.574 CB :: 37.539 CG1 :: 29.398 CG2 :: 16.619 CD1 :: 12.567 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.187 HA :: 3.495 HB :: 1.543 HG12 :: 0.388 HG13 :: 1.265 HG21 :: 0.141 HG22 :: 0.141 HG23 :: 0.141 HD11 :: -0.124 HD12 :: -0.124 HD13 :: -0.124 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.430 Ave N Shift Values>> N :: 121.6(4.72) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.36 C 0.15 C Shift Assignments>> C :: 174.302 CA :: 52.416 CB :: 39.399 CG :: 177.570 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.249 HA :: 4.778 HB2 :: 2.752 HD21 :: 7.504 HD22 :: 6.735 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.978 ND2 :: 110.876 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.31 A 0.15 C Shift Assignments>> C :: 176.950 CA :: 56.401 CB :: 32.480 CG :: 34.351 CE :: 19.208 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.848 HA :: 4.347 HB2 :: 1.853 HG2 :: 2.589 HG3 :: 2.686 HE1 :: 1.833 HE2 :: 1.833 HE3 :: 1.833 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.780 Ave N Shift Values>> N :: 120.1(3.88) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.34 E 0.25 HN Overlap>> 1.M50 1.M50 C Shift Assignments>> C :: 175.759 CA :: 55.073 CB :: 28.507 CG :: 34.351 CD :: 181.022 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.179 HA :: 4.644 HB2 :: 2.008 HB3 :: 2.370 HG2 :: 2.227 HG3 :: 2.382 HE21 :: 7.554 HE22 :: 6.809 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.120 NE2 :: 111.631 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.977 CA :: 63.840 CB :: 69.418 CG2 :: 21.839 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.902 HA :: 4.014 HB :: 4.062 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.460 Ave N Shift Values>> N :: 115.7(5.05) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R18 1.R18 C Shift Assignments>> C :: 174.142 CA :: 56.932 CB :: 64.902 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.098 HA :: 4.642 HB2 :: 3.693 HB3 :: 3.982 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.130 Ave N Shift Values>> N :: 116.3(3.95) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.924 CA :: 60.120 CB :: 63.330 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.523 HA :: 4.319 HB2 :: 3.934 HB3 :: 3.982 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.250 Ave N Shift Values>> N :: 116.3(3.95) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.23 A 0.08 C Shift Assignments>> CA :: 57.680 CB :: 69.418 CG2 :: 20.784 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.003 HA :: 4.358 HB :: 4.061 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.720 Ave N Shift Values>> N :: 115.7(5.05) 1.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.008 CA :: 62.970 CB :: 32.474 CG :: 27.207 CD :: 50.291 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.410 HB2 :: 2.483 HB3 :: 2.028 HG2 :: 1.589 HG3 :: 1.800 HD2 :: 2.835 HD3 :: 3.238 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.16 M 0.15 E 0.14 R 0.02 C Shift Assignments>> C :: 177.963 CA :: 57.464 CB :: 30.367 CG :: 33.820 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.364 HA :: 4.003 HB2 :: 1.140(S) HB3 :: 1.678 HG2 :: 1.494(S) HG3 :: 1.567(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.340 Ave N Shift Values>> N :: 120.68(3.68) 1.F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 G 0.23 Y 0.21 F 0.12 C Shift Assignments>> C :: 175.191 CA :: 56.135 CB :: 43.500 CE1 :: 128.402 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.077 HA :: 5.734 HB2 :: 3.203 HB3 :: 3.469 HE1 :: 6.967 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.260 Ave N Shift Values>> N :: 120.69(4.18) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.11 R 0.1 K 0.09 N 0.07 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 176.719 CA :: 52.682 CB :: 42.321 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.823 HA :: 4.861 HB2 :: 2.329 HB3 :: 3.083 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.490 Ave N Shift Values>> N :: 120.73(4.2) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 170.552 CA :: 45.470 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.548 HA2 :: 3.868 HA3 :: 4.272 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.750 Ave N Shift Values>> N :: 109.91(4.29) 1.W124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 H 0.12 W 0.12 M 0.12 E 0.12 K 0.1 Q 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 173.840 CA :: 56.667 CB :: 31.160 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.195 HA :: 5.853 HB2 :: 3.074 HB3 :: 3.200 HE1 :: 10.137 HZ2 :: 7.262 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.670 NE1 :: 129.634 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.2 K 0.15 G 0.14 C Shift Assignments>> C :: 174.622 CA :: 55.300 CB :: 33.820 CG :: 26.116 CD :: 43.649 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.568 HA :: 4.096 HB2 :: 1.736 HB3 :: 1.822 HG2 :: 1.366 HG3 :: 1.654 HD2 :: 2.855 HD3 :: 2.915 HE :: 6.404 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.360 NE :: 110.958 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.W126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.46 H 0.02 HN Overlap>> 1.I2 1.I2 C Shift Assignments>> C :: 177.448 CA :: 56.390 CB :: 31.164 CD1 :: 127.990 CZ2 :: 115.196 CH2 :: 123.800 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.507 HA :: 5.528 HB2 :: 3.040 HD1 :: 7.410 HE1 :: 11.224 HZ2 :: 7.553 HH2 :: 6.990 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.580 NE1 :: 131.463 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.08 A 0.03 I 0.02 C Shift Assignments>> C :: 174.853 CA :: 58.520 CB :: 35.673 CG1 :: 18.412 CG2 :: 21.333 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.493 HA :: 4.706 HB :: 1.703 HG11 :: 0.672 HG12 :: 0.672 HG13 :: 0.672 HG21 :: 0.470 HG22 :: 0.470 HG23 :: 0.470 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.800 Ave N Shift Values>> N :: 121.02(4.96) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.209 CA :: 59.400 CB :: 63.308 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.193 HA :: 4.385 HB2 :: 3.851 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.740 Ave N Shift Values>> N :: 116.3(3.95) 1.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 F 0.07 Y 0.03 HN Overlap>> 1.V147 1.V147 C Shift Assignments>> C :: 173.218 CA :: 63.830 CB :: 39.399 CD1 :: 132.800 CE1 :: 124.350 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.320 HA :: 3.762 HB2 :: 2.493 HB3 :: 3.120 HD1 :: 5.940 HE1 :: 6.988 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.820 Ave N Shift Values>> N :: 120.79(4.69) 1.W130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.44 H 0.05 C Shift Assignments>> C :: 177.928 CA :: 56.670 CB :: 29.303 CD1 :: 128.399 CZ2 :: 115.294 CH2 :: 124.376 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.578 HA :: 4.520 HB2 :: 3.090 HB3 :: 3.441 HD1 :: 7.367 HE1 :: 10.323 HE3 :: 7.473 HZ2 :: 7.565 HH2 :: 7.125 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 108.120 NE1 :: 129.518 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.47 C Shift Assignments>> CA :: 62.510 CB :: 36.350 CD1 :: 132.840 CE1 :: 118.000 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.765 HA :: 4.082 HB2 :: 2.856 HB3 :: 2.910 HD1 :: 6.343 HE1 :: 6.453 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.050 Ave N Shift Values>> N :: 120.79(4.69) 1.P132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> V 0.66 P 0.25 C 0.05 I 0.02 C Shift Assignments>> C :: 179.211 CA :: 66.010 CB :: 33.000 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 2.738(S) HB2 :: 1.078 HB3 :: 1.437 HD2 :: 3.656 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.186 CA :: 65.699 CB :: 31.520 CG1 :: 21.865 CG2 :: 23.090 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.959 HA :: 3.538 HB :: 2.264 HG11 :: 1.028 HG12 :: 1.028 HG13 :: 1.028 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.338 Ave N Shift Values>> N :: 121.02(4.96) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.12 G 0.07 C Shift Assignments>> C :: 177.128 CA :: 56.932 CB :: 30.367 CG :: 27.680 CD :: 43.401 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.170 HA :: 4.189 HB2 :: 1.719 HB3 :: 1.843 HG2 :: 1.587 HG3 :: 1.668 HD2 :: 3.152 HE :: 7.263 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.570 NE :: 110.740 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.46 C 0.46 E 0.07 C Shift Assignments>> C :: 176.310 CA :: 55.480 CB :: 30.367 CG :: 32.752 CD :: 179.592 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.098 HA :: 4.179 HB2 :: 1.368 HB3 :: 2.215 HG2 :: 1.460 HG3 :: 1.614 HE21 :: 6.773 HE22 :: 6.666 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.870 NE2 :: 112.506 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.4 C Shift Assignments>> C :: 173.822 CA :: 61.183 CB :: 33.023 CG1 :: 19.475 CG2 :: 21.334 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.391 HA :: 4.359 HB :: 2.150 HG11 :: 0.597 HG12 :: 0.597 HG13 :: 0.597 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.310 Ave N Shift Values>> N :: 121.02(4.96) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.I13 1.I13 C Shift Assignments>> C :: 174.320 CA :: 62.000 CB :: 32.730 CG1 :: 20.537 CG2 :: 20.537 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.821 HA :: 4.180 HB :: 2.144 HG11 :: 0.670 HG12 :: 0.670 HG13 :: 0.670 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 121.02(4.96) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.897 CA :: 61.110 CB :: 62.777 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.419 HA :: 3.871 HB2 :: 4.058 HB3 :: 4.003 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.190 Ave N Shift Values>> N :: 116.3(3.95) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 C 0.31 F 0.28 HN Overlap>> 1.R146 1.R146 C Shift Assignments>> C :: 176.186 CA :: 59.589 CB :: 37.830 CD1 :: 132.259 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.555 HA :: 4.684 HB2 :: 3.149 HB3 :: 3.496 HD1 :: 7.248 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.130 Ave N Shift Values>> N :: 120.69(4.18) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.3 R 0.3 M 0.01 G 0.01 C Shift Assignments>> C :: 176.133 CA :: 57.198 CB :: 33.554 CG :: 25.850 CD :: 29.759 CE :: 42.549 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.576 HA :: 4.049 HB2 :: 1.267 HB3 :: 1.540 HG2 :: 0.901 HG3 :: 0.717 HD2 :: 1.614 HD3 :: 1.414 HE2 :: 2.867 HE3 :: 3.009 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.060 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.16 K 0.03 C Shift Assignments>> C :: 177.252 CA :: 60.652 CB :: 30.101 CG :: 27.443 CD :: 43.649 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.335 HA :: 3.575 HB2 :: 1.740 HB3 :: 1.861 HG2 :: 1.599 HG3 :: 1.749 HD2 :: 3.192 HE :: 8.591 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.030 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.16 C 0.15 L 0.11 D 0.06 I 0.05 R 0.03 C Shift Assignments>> C :: 178.905 CA :: 57.995 CB :: 40.993 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.302 HA :: 4.436 HB2 :: 2.783 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.430 Ave N Shift Values>> N :: 120.73(4.2) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.146 CA :: 67.027 CB :: 31.960 CG1 :: 21.334 CG2 :: 23.459 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.889 HA :: 3.662 HB :: 2.143 HG11 :: 1.114 HG12 :: 1.114 HG13 :: 1.114 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.780 Ave N Shift Values>> N :: 121.02(4.96) 1.Y144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 F 0.3 Y 0.26 HN Overlap>> 1.D4 1.D4 C Shift Assignments>> C :: 177.821 CA :: 60.910 CB :: 37.008 CD1 :: 131.000 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.479 HA :: 3.775 HB2 :: 2.639 HB3 :: 3.197 HD1 :: 6.790 HE1 :: 6.951 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.170 Ave N Shift Values>> N :: 120.79(4.69) 1.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.18 K 0.03 C Shift Assignments>> C :: 178.081 CA :: 60.917 CB :: 30.108 CG :: 27.904 CD :: 43.649 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.866 HA :: 3.874 HB2 :: 1.998 HG2 :: 1.664 HG3 :: 1.779 HD2 :: 3.286 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.17 K 0.04 HN Overlap>> 1.F139 1.F139 C Shift Assignments>> C :: 179.580 CA :: 59.589 CB :: 30.368 CG :: 27.823 CD :: 43.915 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.579 HA :: 3.971 HB2 :: 1.946 HG2 :: 1.718 HG3 :: 1.912 HD2 :: 3.228 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.220 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.Y129 1.Y129 C Shift Assignments>> C :: 176.755 CA :: 66.762 CB :: 31.695 CG1 :: 21.068 CG2 :: 21.865 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.237 HA :: 2.741 HB :: 1.202 HG11 :: -0.127(S) HG12 :: -0.127(S) HG13 :: -0.127(S) HG21 :: -0.298(S) HG22 :: -0.298(S) HG23 :: -0.298(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.750 Ave N Shift Values>> N :: 121.02(4.96) 1.M148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.37 A 0.11 C Shift Assignments>> C :: 176.541 CA :: 56.667 CB :: 30.260 CG :: 33.023 CE :: 18.412 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.271 HA :: 4.263 HB2 :: 1.728 HB3 :: 1.843 HG2 :: 2.198 HG3 :: 2.515 HE1 :: 1.442 HE2 :: 1.442 HE3 :: 1.442 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.030 Ave N Shift Values>> N :: 120.1(3.88) 1.K149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.21 M 0.01 G 0.01 HN Overlap>> 1.R62 1.R62 C Shift Assignments>> C :: 178.515 CA :: 60.120 CB :: 32.492 CG :: 25.586 CD :: 29.570 CE :: 42.100 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.391 HA :: 4.406 HB2 :: 2.050 HB3 :: 2.153 HG2 :: 1.627 HG3 :: 1.820 HD2 :: 1.753 HD3 :: 1.828 HE2 :: 3.021 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.26 I 0.19 K 0.11 Q 0.06 C Shift Assignments>> C :: 179.243 CA :: 59.590 CB :: 28.507 CG :: 35.680 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.630 HA :: 4.096 HB2 :: 1.698 HB3 :: 1.936 HG2 :: 2.100 HG3 :: 2.291 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.640 Ave N Shift Values>> N :: 120.68(3.68) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 C 0.38 F 0.21 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 177.359 CA :: 54.276 CB :: 38.602 CD1 :: 132.868 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.733 HA :: 4.881 HB2 :: 3.264 HB3 :: 3.409 HD1 :: 7.108 HD2 :: 6.812 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.970 Ave N Shift Values>> N :: 120.69(4.18) 1.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.15 I 0.11 C 0.04 V 0.02 C Shift Assignments>> C :: 179.331 CA :: 56.667 CB :: 18.412 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.619 HA :: 3.616 HB1 :: 1.660 HB2 :: 1.660 HB3 :: 1.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.730 Ave N Shift Values>> N :: 123.23(3.7) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.790 CA :: 61.448 CB :: 62.245 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.599 HA :: 4.129 HB2 :: 3.965 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.890 Ave N Shift Values>> N :: 116.3(3.95) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.709 CA :: 65.433 CB :: 31.695 CG1 :: 21.865 CG2 :: 22.663 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.418 HA :: 3.744 HB :: 1.990 HG11 :: 1.012 HG12 :: 1.012 HG13 :: 1.012 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.750 Ave N Shift Values>> N :: 121.02(4.96) 1.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.514 CA :: 66.762 CB :: 31.429 CG1 :: 21.600 CG2 :: 24.175 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.515 HA :: 3.496 HB :: 1.643 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.478 Ave N Shift Values>> N :: 121.02(4.96) 1.M156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.47 A 0.02 C Shift Assignments>> C :: 178.638 CA :: 57.995 CB :: 31.960 CG :: 32.496 CE :: 17.084 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.298 HA :: 4.214 HB2 :: 2.060 HG2 :: 2.494 HG3 :: 2.630 HE1 :: 1.968 HE2 :: 1.968 HE3 :: 1.968 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.260 Ave N Shift Values>> N :: 120.1(3.88) 1.S157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.493 CA :: 60.770 CB :: 63.308 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.602 HA :: 4.354 HB2 :: 4.012 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.360 Ave N Shift Values>> N :: 116.3(3.95) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.05 G 0.02 C Shift Assignments>> C :: 177.981 CA :: 56.401 CB :: 42.321 CG :: 26.382 CD1 :: 25.319 CD2 :: 23.459 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.438 HA :: 4.199 HB2 :: 1.616 HB3 :: 1.781 HG :: 1.792 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.680 Ave N Shift Values>> N :: 121.98(4.07) 1.Q159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 C 0.38 E 0.21 C Shift Assignments>> C :: 176.755 CA :: 56.666 CB :: 29.304 CG :: 34.086 CD :: 179.885 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.611 HA :: 4.241 HB2 :: 2.053 HB3 :: 2.143 HG2 :: 2.345 HG3 :: 2.373 HE21 :: 7.320 HE22 :: 6.698 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.220 NE2 :: 110.762 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.11 M 0.1 Q 0.09 I 0.04 C Shift Assignments>> C :: 176.381 CA :: 56.932 CB :: 30.109 CG :: 35.761 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.086 HA :: 4.261 HB2 :: 1.996 HB3 :: 2.082 HG2 :: 2.306 HG3 :: 2.367 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.330 Ave N Shift Values>> N :: 120.68(3.68) 1.N161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.32 C 0.18 C Shift Assignments>> C :: 174.871 CA :: 53.213 CB :: 39.133 CG :: 177.146 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.263 HA :: 4.780 HB2 :: 2.756 HB3 :: 2.852 HD21 :: 7.576 HD22 :: 6.909 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.810 ND2 :: 113.040 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.Y51 1.D64 1.Y51 1.D64 C Shift Assignments>> CA :: 60.260 CB :: 69.684 CG2 :: 21.480 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.991 HA :: 4.564 HB :: 4.154 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.150 Ave N Shift Values>> N :: 115.7(5.05) 1.P163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.079 CA :: 63.574 CB :: 31.960 CG :: 27.444 CD :: 51.088 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.416 HB2 :: 1.957 HB3 :: 2.308 HG2 :: 1.982 HG3 :: 2.065 HD2 :: 3.698 HD3 :: 3.863 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.18 M 0.02 G 0.01 C Shift Assignments>> CA :: 57.729 CB :: 33.730 CG :: 24.788 CD :: 29.170 CE :: 42.352 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.999 HA :: 4.163 HB2 :: 1.714 HB3 :: 1.839 HG2 :: 1.438 HD2 :: 1.678 HE2 :: 3.017 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.170 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 16 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 163 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 164 #Suspicious: 0 C Shift Results: #Consistent: 713 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent:1076 #Duplicate: 0 #Unknown: 0 #Suspicious: 30 #Anomalous: 1 N Shift Results: #Consistent: 187 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N10 CB = 45.270(S), Expected = 38.66, Std = 1.7800, ChiSquare = 2.0443e-04 1.C16 HA = 6.484(A), Expected = 4.73, Std = 0.5700, ChiSquare = 2.0896e-03 1.N17 CG = 179.651(A), Expected = 176.61, Std = 1.3300, ChiSquare = 2.2227e-02 1.N17 HB2 = 1.483(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.0727e-04 1.V22 HA = 6.069(S), Expected = 4.16, Std = 0.5700, ChiSquare = 8.1068e-04 1.W24 CZ2 = 118.039(S), Expected = 114.19, Std = 1.0900, ChiSquare = 4.1369e-04 1.A25 HB1 = 0.397(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.4242e-05 1.A25 HB2 = 0.397(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.4242e-05 1.A25 HB3 = 0.397(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.4242e-05 1.R26 HB2 = 0.568(S), Expected = 1.79, Std = 0.2800, ChiSquare = 1.2754e-05 1.Q34 HB2 = 3.273(S), Expected = 2.05, Std = 0.2800, ChiSquare = 1.2547e-05 1.Q34 HB3 = 3.335(S), Expected = 2.04, Std = 0.2900, ChiSquare = 7.9876e-06 1.R52 HE = 9.726(S), Expected = 7.32, Std = 0.5200, ChiSquare = 3.7114e-06 1.R76 HD2 = 2.272(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.9115e-04 1.Y77 Typing: Suspicious 1.Y77 CD2 = 118.039(A), Expected = 132.26, Std = 1.9900, ChiSquare = 8.9193e-13 1.V84 HG11 = -0.379(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.3372e-06 1.V84 HG12 = -0.379(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.3372e-06 1.V84 HG13 = -0.379(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.3372e-06 1.K96 HE2 = 2.097(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.1135e-05 1.Q97 HA = 5.891(S), Expected = 4.28, Std = 0.4400, ChiSquare = 2.5088e-04 1.K98 HB2 = 0.237(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.2314e-10 1.K98 HD2 = 0.747(S), Expected = 1.61, Std = 0.2500, ChiSquare = 5.5645e-04 1.K98 HE2 = 1.776(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.9272e-09 1.K98 HE3 = 1.979(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.9845e-06 1.L101 HB2 = -0.818(S), Expected = 1.63, Std = 0.3400, ChiSquare = 6.0213e-13 1.E120 HB2 = 1.140(S), Expected = 2.04, Std = 0.2200, ChiSquare = 4.2969e-05 1.E120 HG2 = 1.494(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.0203e-04 1.E120 HG3 = 1.567(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.0302e-04 1.P132 HA = 2.738(S), Expected = 4.41, Std = 0.3600, ChiSquare = 3.4099e-06 1.V147 HG11 = -0.127(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.4165e-04 1.V147 HG12 = -0.127(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.4165e-04 1.V147 HG13 = -0.127(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.4165e-04 1.V147 HG21 = -0.298(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.0039e-04 1.V147 HG22 = -0.298(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.0039e-04 1.V147 HG23 = -0.298(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.0039e-04