Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 174.289 CA :: 62.142 CB :: 32.672 CG :: 26.410 CD :: 49.364 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 :: 4.348 HB2 :: 2.361 HB3 :: 1.918 HG2 :: 1.974 HG3 :: 1.908 HD2 :: 3.314 HD3 :: 3.314 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.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.23 M 0.02 I 0.01 HN Overlap>> 1.N12 1.N12 C Shift Assignments>> C :: 176.292 CA :: 62.519 CB :: 32.731 CG1 :: 20.686 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 :: 8.531 HA :: 4.024 HB :: 1.940 HG11 :: 0.852 HG12 :: 0.852 HG13 :: 0.852 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 :: 120.092 Ave N Shift Values>> N :: 121.02(4.96) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.12 G 0.06 C Shift Assignments>> C :: 176.181 CA :: 55.927 CB :: 30.844 CG :: 27.100 CD :: 43.248 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 :: 8.488 HA :: 4.266 HB2 :: 1.732 HB3 :: 1.659 HG2 :: 1.554 HG3 :: 1.554 HD2 :: 3.093 HD3 :: 3.093 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 :: 125.996 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.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.16 C 0.15 M 0.13 E 0.13 Q 0.11 K 0.1 V 0.01 C Shift Assignments>> C :: 175.447 CA :: 56.027 CB :: 30.947 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 :: 8.444 HA :: 4.262 HB2 :: 1.753 HB3 :: 1.670 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 :: 123.748 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.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 178.561 CA :: 44.954 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.411 HA2 :: 3.841 HA3 :: 3.841 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.260 Ave N Shift Values>> N :: 109.91(4.29) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 C 0.41 C Shift Assignments>> C :: 177.614 CA :: 55.427 CB :: 29.605 CD2 :: 120.869 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 :: 8.353 HA :: 4.613 HB2 :: 3.116 HB3 :: 3.039 HD2 :: 7.144 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 :: 118.784 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.836 CA :: 61.839 CB :: 33.005 CG1 :: 20.700 CG2 :: 20.700 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 :: 8.126 HA :: 4.022 HB :: 1.925 HG11 :: 0.814 HG12 :: 0.814 HG13 :: 0.814 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 :: 122.370 Ave N Shift Values>> N :: 121.02(4.96) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 50.363 CB :: 18.185 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.414 HA :: 4.506 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.560 Ave N Shift Values>> N :: 123.23(3.7) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 175.050 CA :: 63.050 CB :: 32.050 CG :: 27.500 CD :: 50.505 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 :: 4.338 HB2 :: 2.219 HB3 :: 1.853 HG2 :: 1.961 HG3 :: 1.961 HD2 :: 3.754 HD3 :: 3.598 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.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.23 E 0.12 M 0.08 R 0.04 C Shift Assignments>> C :: 179.575 CA :: 56.244 CB :: 29.426 CG :: 33.820 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 :: 8.513 HA :: 4.194 HB2 :: 2.018 HB3 :: 1.918 HG2 :: 2.302 HG3 :: 2.302 HE21 :: 7.375 HE22 :: 6.685 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 :: 120.573 NE2 :: 111.277 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.17 D 0.17 Y 0.09 F 0.07 L 0.03 E 0.02 HN Overlap>> 1.V3 1.V3 C Shift Assignments>> C :: 176.379 CA :: 53.632 CB :: 38.630 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 :: 8.544 HA :: 4.681 HB2 :: 2.820 HB3 :: 2.698 HD21 :: 7.637 HD22 :: 6.812 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 :: 120.070 ND2 :: 112.691 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.294 CA :: 63.308 CB :: 69.521 CG2 :: 21.847 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 :: 8.220 HA :: 4.172 HB :: 4.252 HG21 :: 1.160 HG22 :: 1.160 HG23 :: 1.160 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 :: 114.394 Ave N Shift Values>> N :: 115.7(5.05) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.35 C 0.22 C Shift Assignments>> C :: 174.399 CA :: 60.710 CB :: 38.992 CD1 :: 132.300 CD2 :: 132.300 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 :: 8.293 HA :: 4.261 HB2 :: 3.146 HB3 :: 2.947 HD1 :: 7.126 HD2 :: 7.126 HE1 :: 7.126 HE2 :: 7.126 HZ :: 7.126 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 :: 123.222 Ave N Shift Values>> N :: 120.69(4.18) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.35 R 0.05 C Shift Assignments>> C :: 174.495 CA :: 58.064 CB :: 41.579 CG :: 26.857 CD1 :: 25.500 CD2 :: 24.313 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 :: 8.094 HA :: 3.703 HB2 :: 1.668 HB3 :: 1.391 HG :: 1.426 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 120.094 Ave N Shift Values>> N :: 121.98(4.07) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 K 0.14 L 0.11 D 0.07 I 0.05 R 0.02 C Shift Assignments>> C :: 173.570 CA :: 57.794 CB :: 40.809 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 :: 7.808 HA :: 4.127 HB2 :: 2.649 HB3 :: 2.505 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 :: 116.882 Ave N Shift Values>> N :: 120.73(4.2) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.829 CA :: 66.149 CB :: 68.644 CG2 :: 21.601 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 :: 7.696 HA :: 3.741 HB :: 4.142 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 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 :: 114.106 Ave N Shift Values>> N :: 115.7(5.05) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 174.446 CA :: 63.359 CB :: 36.776 CG1 :: 27.514 CG2 :: 18.306 CD1 :: 11.713 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 :: 7.434 HA :: 3.572 HB :: 1.830 HG12 :: 1.133 HG13 :: 0.976 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 HD11 :: 0.509 HD12 :: 0.509 HD13 :: 0.509 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 :: 122.909 Ave N Shift Values>> N :: 121.6(4.72) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 173.967 CA :: 66.648 CB :: 38.457 CG1 :: 30.402 CG2 :: 17.794 CD1 :: 14.393 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 :: 8.170 HA :: 3.313 HB :: 1.574 HG12 :: 1.316 HG13 :: 0.002 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 HD11 :: 0.142 HD12 :: 0.142 HD13 :: 0.142 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 :: 120.281 Ave N Shift Values>> N :: 121.6(4.72) 1.R20 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 0.08 C Shift Assignments>> C :: 173.038 CA :: 58.952 CB :: 30.062 CG :: 27.837 CD :: 43.363 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 :: 7.685 HA :: 3.944 HB2 :: 1.756 HB3 :: 1.756 HG2 :: 1.692 HG3 :: 1.586 HD2 :: 3.072 HD3 :: 3.072 HE :: 7.288 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 :: 115.715 NE :: 84.988 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.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.15 M 0.02 C Shift Assignments>> C :: 174.109 CA :: 58.619 CB :: 32.443 CG :: 24.725 CD :: 29.151 CE :: 41.688 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 :: 7.541 HA :: 3.874 HB2 :: 1.688 HB3 :: 1.623 HG2 :: 1.158 HG3 :: 1.158 HD2 :: 1.395 HD3 :: 1.341 HE2 :: 2.643 HE3 :: 2.643 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 :: 118.523 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.37 C 0.24 C Shift Assignments>> C :: 175.430 CA :: 59.796 CB :: 38.947 CD1 :: 131.818 CD2 :: 131.818 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 :: 7.637 HA :: 4.059 HB2 :: 2.130 HB3 :: 2.130 HD1 :: 6.796 HD2 :: 6.796 HE1 :: 6.796 HE2 :: 6.796 HZ :: 6.796 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 :: 116.870 Ave N Shift Values>> N :: 120.69(4.18) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.1 I 0.08 Q 0.07 M 0.07 C Shift Assignments>> C :: 173.871 CA :: 58.033 CB :: 29.954 CG :: 35.892 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 :: 8.173 HA :: 4.517 HB2 :: 2.243 HB3 :: 2.119 HG2 :: 2.574 HG3 :: 2.383 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 :: 120.565 Ave N Shift Values>> N :: 120.68(3.68) 1.G24 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 HN Overlap>> 1.G103 1.G103 C Shift Assignments>> C :: 177.708 CA :: 45.532 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.380 HA2 :: 4.081 HA3 :: 3.964 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.343 Ave N Shift Values>> N :: 109.91(4.29) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.11 M 0.06 R 0.05 C Shift Assignments>> C :: 176.099 CA :: 56.264 CB :: 29.171 CG :: 33.798 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 :: 8.008 HA :: 4.280 HB2 :: 2.194 HB3 :: 1.894 HG2 :: 2.316 HG3 :: 2.279 HE21 :: 6.779 HE22 :: 7.521 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 :: 117.963 NE2 :: 112.483 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.433 CA :: 58.754 CB :: 62.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.637 HA :: 4.335 HB2 :: 4.012 HB3 :: 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 :: 113.630 Ave N Shift Values>> N :: 116.3(3.95) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.32 K 0.27 G 0.03 C Shift Assignments>> C :: 174.792 CA :: 55.863 CB :: 31.790 CG :: 27.896 CD :: 42.851 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 :: 7.838 HA :: 4.524 HB2 :: 2.073 HB3 :: 2.005 HG2 :: 1.694 HG3 :: 1.598 HD2 :: 2.993 HD3 :: 2.938 HE :: 7.013 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 :: 119.094 NE :: 84.651 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.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.3 R 0.27 M 0.06 G 0.01 C Shift Assignments>> C :: 178.397 CA :: 56.297 CB :: 32.821 CG :: 25.223 CD :: 30.587 CE :: 42.416 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 :: 9.391 HA :: 5.097 HB2 :: 1.668 HB3 :: 1.470 HG2 :: 1.393 HG3 :: 1.393 HD2 :: 1.860 HD3 :: 1.762 HE2 :: 2.935 HE3 :: 2.935 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 :: 124.500 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.22 K 0.17 C 0.11 F 0.08 D 0.08 Y 0.06 G 0.01 C Shift Assignments>> C :: 180.308 CA :: 56.466 CB :: 42.610 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 :: 8.395 HA :: 6.208 HB2 :: 3.300 HB3 :: 2.955 HD1 :: 6.845 HD2 :: 6.845 HE1 :: 6.845 HE2 :: 6.845 HZ :: 6.845 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 :: 119.939 Ave N Shift Values>> N :: 120.69(4.18) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.43 A 0.01 C Shift Assignments>> C :: 177.832 CA :: 58.488 CB :: 41.192 CG1 :: 26.642 CG2 :: 16.992 CD1 :: 13.743 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 :: 8.545 HA :: 4.835 HB :: 1.831 HG21 :: -0.073 HG22 :: -0.073 HG23 :: -0.073 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 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 :: 111.214 Ave N Shift Values>> N :: 121.6(4.72) 1.I31 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 :: 177.842 CA :: 60.139 CB :: 40.435 CG1 :: 27.990 CG2 :: 18.377 CD1 :: 14.955 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 :: 8.893 HA :: 5.126 HB :: 1.635 HG12 :: 1.797 HG13 :: 1.129 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 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 :: 119.488 Ave N Shift Values>> N :: 121.6(4.72) 1.A32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.1 L 0.08 K 0.02 R 0.01 C Shift Assignments>> C :: 175.465 CA :: 49.785 CB :: 25.249(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.673 HA :: 5.272 HB1 :: 1.264 HB2 :: 1.264 HB3 :: 1.264 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.604 Ave N Shift Values>> N :: 123.23(3.7) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.19 C 0.15 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 178.064 CA :: 52.818 CB :: 38.912 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 :: 8.583 HA :: 4.668 HB2 :: 3.040 HB3 :: 2.789 HD21 :: 7.163 HD22 :: 7.680 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 :: 118.718 ND2 :: 112.035 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.19 C 0.04 L 0.04 C Shift Assignments>> C :: 174.461 CA :: 52.480 CB :: 20.374 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.549 HA :: 4.679 HB1 :: 1.034 HB2 :: 1.034 HB3 :: 1.034 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.147 Ave N Shift Values>> N :: 123.23(3.7) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.1 G 0.07 L 0.02 C Shift Assignments>> CA :: 56.219 CB :: 29.800 CG :: 27.702 CD :: 43.320 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 :: 8.201 HA :: 4.321 HB2 :: 2.043 HB3 :: 1.882 HG2 :: 1.734 HG3 :: 1.618 HD2 :: 3.183 HD3 :: 3.183 HE :: 7.249 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 :: 116.138 NE :: 84.548 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.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.237 CA :: 60.725 CB :: 33.859 CG1 :: 21.376 CG2 :: 19.955 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 :: 7.296 HA :: 3.109 HB :: 2.137 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 114.153 Ave N Shift Values>> N :: 121.02(4.96) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.13 I 0.11 Q 0.07 M 0.02 C Shift Assignments>> C :: 175.541 CA :: 58.475 CB :: 29.155 CG :: 35.812 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 :: 8.684 HA :: 3.979 HB2 :: 1.968 HB3 :: 1.963 HG2 :: 2.216 HG3 :: 2.097 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 :: 122.867 Ave N Shift Values>> N :: 120.68(3.68) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.21 D 0.09 Y 0.08 F 0.05 E 0.04 M 0.02 L 0.01 C Shift Assignments>> CA :: 53.228 CB :: 37.737 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 :: 8.163 HA :: 4.504 HB2 :: 2.957 HB3 :: 2.751 HD21 :: 7.479 HD22 :: 6.827 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 :: 114.811 ND2 :: 111.195 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 R 0.21 C 0.17 L 0.09 Q 0.08 K 0.07 H 0.05 E 0.04 P 0.01 C Shift Assignments>> CA :: 59.237 CB :: 26.756 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.271 HA :: 4.508 HB2 :: 3.005 HB3 :: 2.907 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 :: 117.341 Ave N Shift Values>> N :: 119.95(4.79) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.73 M 0.16 C 0.04 L 0.04 C Shift Assignments>> CA :: 52.041 CB :: 20.559 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.989 HB1 :: 1.126 HB2 :: 1.126 HB3 :: 1.126 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 174.786 CA :: 65.083 CB :: 32.323 CG1 :: 23.194 CG2 :: 23.194 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 :: 8.553 HA :: 3.858 HB :: 2.166 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 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 :: 119.779 Ave N Shift Values>> N :: 121.02(4.96) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.673 CA :: 61.160 CB :: 39.718 CG1 :: 26.379 CG2 :: 18.755 CD1 :: 14.418 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 :: 9.185 HA :: 4.575 HB :: 2.101 HG12 :: 1.140 HG13 :: 0.871 HG21 :: 0.971 HG22 :: 0.971 HG23 :: 0.971 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 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 :: 121.316 Ave N Shift Values>> N :: 121.6(4.72) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 C 0.28 F 0.25 G 0.01 C Shift Assignments>> C :: 179.308 CA :: 59.323 CB :: 42.171 CD1 :: 133.057 CD2 :: 133.057 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 :: 7.762 HA :: 4.535 HB2 :: 3.267 HB3 :: 2.313 HD1 :: 6.818 HD2 :: 6.818 HE1 :: 6.818 HE2 :: 6.818 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 :: 121.372 Ave N Shift Values>> N :: 120.79(4.69) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 H 0.15 R 0.14 K 0.13 E 0.07 Q 0.07 HN Overlap>> 1.A85 1.A85 C Shift Assignments>> C :: 180.677 CA :: 54.327 CB :: 31.649 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.818 HA :: 4.700 HB2 :: 2.558 HB3 :: 2.433 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 :: 123.608 Ave N Shift Values>> N :: 119.95(4.79) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.21 C 0.16 L 0.03 Y 0.03 F 0.03 C Shift Assignments>> C :: 177.952 CA :: 50.650 CB :: 39.388 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 :: 7.945 HA :: 4.406 HB2 :: 3.548 HB3 :: 1.879 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 :: 122.923 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.1 D 0.05 L 0.04 E 0.02 N 0.02 C Shift Assignments>> C :: 172.828 CA :: 57.782 CB :: 39.232 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 :: 9.122 HA :: 4.208 HB2 :: 2.638 HB3 :: 2.638 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 :: 121.144 Ave N Shift Values>> N :: 120.73(4.2) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 175.815 CA :: 47.309 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.935 HA2 :: 3.999 HA3 :: 3.814 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.429 Ave N Shift Values>> N :: 109.91(4.29) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 Y 0.31 C 0.19 C Shift Assignments>> C :: 175.405 CA :: 62.945 CB :: 39.162 CD1 :: 132.329 CD2 :: 132.329 CE1 :: 131.116 CE2 :: 131.116 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 :: 8.166 HA :: 3.813 HB2 :: 3.063 HB3 :: 2.997 HD1 :: 6.520 HD2 :: 6.520 HE1 :: 6.520 HE2 :: 6.520 HZ :: 6.520 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 :: 123.877 Ave N Shift Values>> N :: 120.69(4.18) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.4 C 0.05 V 0.01 C Shift Assignments>> C :: 174.612 CA :: 63.767 CB :: 27.475 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.370 HA :: 3.889 HB2 :: 3.183 HB3 :: 2.823 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 :: 119.762 Ave N Shift Values>> N :: 119.95(4.79) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.12 I 0.1 Q 0.08 M 0.03 HN Overlap>> 1.A89 1.T74 1.A89 1.T74 C Shift Assignments>> C :: 173.956 CA :: 58.368 CB :: 29.361 CG :: 35.776 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 :: 8.229 HA :: 3.782 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.219 HG3 :: 2.087 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 :: 119.276 Ave N Shift Values>> N :: 120.68(3.68) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.06 C Shift Assignments>> C :: 175.878 CA :: 57.555 CB :: 41.590 CG :: 26.819 CD1 :: 25.767 CD2 :: 23.236 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 :: 7.518 HA :: 3.829 HB2 :: 1.739 HB3 :: 1.304 HG :: 0.743 HD11 :: 0.574 HD12 :: 0.574 HD13 :: 0.574 HD21 :: 0.269 HD22 :: 0.269 HD23 :: 0.269 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 :: 119.820 Ave N Shift Values>> N :: 121.98(4.07) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 Q 0.14 H 0.14 C 0.14 R 0.14 K 0.13 I 0.04 M 0.04 V 0.01 C Shift Assignments>> C :: 177.886 CA :: 57.793 CB :: 29.628 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.239 HA :: 4.498 HB2 :: 2.968 HB3 :: 2.223 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 :: 106.924 Ave N Shift Values>> N :: 119.95(4.79) 1.G53 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 R 0.01 C Shift Assignments>> C :: 178.833 CA :: 45.971 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.959 HA2 :: 4.195 HA3 :: 3.546 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.947 Ave N Shift Values>> N :: 109.91(4.29) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.2 I 0.09 D 0.06 L 0.05 N 0.02 E 0.02 K 0.01 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 177.985 CA :: 57.727 CB :: 39.435 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 :: 7.422 HA :: 4.277 HB2 :: 2.581 HB3 :: 2.581 HD1 :: 6.796 HD2 :: 6.796 HE1 :: 6.796 HE2 :: 6.796 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 :: 118.892 Ave N Shift Values>> N :: 120.79(4.69) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 176.756 CA :: 57.126 CB :: 65.654 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.727 HA :: 4.299 HB2 :: 4.074 HB3 :: 3.878 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 :: 116.168 Ave N Shift Values>> N :: 116.3(3.95) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.3 K 0.15 I 0.11 G 0.05 L 0.01 C Shift Assignments>> C :: 173.979 CA :: 60.508 CB :: 29.585 CD :: 42.882 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 :: 8.805 HA :: 3.579 HB2 :: 1.659 HB3 :: 1.659 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 :: 122.903 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.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 172.396 CA :: 54.447 CB :: 18.371 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.176 HA :: 3.917 HB1 :: 1.266 HB2 :: 1.266 HB3 :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.226 Ave N Shift Values>> N :: 123.23(3.7) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.32 I 0.1 M 0.07 C Shift Assignments>> C :: 176.423 CA :: 57.498 CB :: 31.198 CG :: 37.813 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 :: 7.487 HA :: 3.913 HB2 :: 2.379 HB3 :: 1.898 HG2 :: 2.162 HG3 :: 2.115 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 :: 115.662 Ave N Shift Values>> N :: 120.68(3.68) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.299 CA :: 64.238 CB :: 33.860 CG1 :: 22.266 CG2 :: 22.266 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 :: 7.334 HA :: 3.315 HB :: 1.941 HG11 :: 0.806 HG12 :: 0.806 HG13 :: 0.806 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 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 :: 118.519 Ave N Shift Values>> N :: 121.02(4.96) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.43 A 0.07 C Shift Assignments>> C :: 175.084 CA :: 56.180 CB :: 31.593 CG :: 33.600 CE :: 16.481 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 :: 7.675 HA :: 3.779 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 2.594 HG3 :: 2.457 HE1 :: 1.989 HE2 :: 1.989 HE3 :: 1.989 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 :: 115.486 Ave N Shift Values>> N :: 120.1(3.88) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.18 E 0.1 R 0.07 I 0.04 C Shift Assignments>> C :: 176.888 CA :: 57.814 CB :: 27.169 CG :: 34.410 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 :: 8.502 HA :: 3.784 HB2 :: 2.292 HB3 :: 2.292 HG2 :: 2.290 HG3 :: 2.290 HE21 :: 7.207 HE22 :: 6.736 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 :: 112.078 NE2 :: 110.760 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.31 G 0.08 L 0.07 K 0.06 C Shift Assignments>> CA :: 54.382 CB :: 29.135 CG :: 27.726 CD :: 43.186 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 :: 7.619 HA :: 4.549 HB2 :: 1.833 HB3 :: 1.833 HG2 :: 1.413 HG3 :: 1.413 HD2 :: 2.757 HD3 :: 2.757 HE :: 6.866 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 :: 120.250 NE :: 85.468 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.P63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.35 C 0.16 R 0.1 K 0.08 P 0.07 E 0.07 Q 0.06 H 0.05 L 0.01 V 0.01 C Shift Assignments>> C :: 180.000 CA :: 60.632 CB :: 28.063 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.155 HB2 :: 2.987 HB3 :: 2.684 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) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.2 S 0.01 C Shift Assignments>> C :: 177.139 CA :: 62.997 CB :: 67.730 CG2 :: 23.546 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 :: 6.882 HA :: 3.653 HB :: 4.284 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 107.659 Ave N Shift Values>> N :: 115.7(5.05) 1.C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 I 0.17 T 0.15 C 0.15 K 0.14 L 0.06 R 0.02 M 0.02 C Shift Assignments>> C :: 177.071 CA :: 60.478 CB :: 23.755 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.172 HA :: 3.335 HB2 :: 2.813 HB3 :: 2.813 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 :: 111.100 Ave N Shift Values>> N :: 119.95(4.79) 1.D67 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.21 F 0.2 C 0.19 D 0.14 N 0.08 L 0.07 I 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 174.804 CA :: 56.257 CB :: 39.377 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 :: 8.211 HA :: 2.428(A) HB2 :: 2.194 HB3 :: 2.194 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 :: 117.498 Ave N Shift Values>> N :: 120.73(4.2) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.24 Y 0.17 F 0.09 M 0.05 I 0.05 N 0.04 K 0.02 D 0.01 C Shift Assignments>> C :: 176.727 CA :: 56.773 CB :: 36.986 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 :: 6.833 HA :: 4.332 HB2 :: 2.922 HB3 :: 2.795 HD1 :: 6.523 HD2 :: 6.523 HE1 :: 6.523 HE2 :: 6.523 HZ :: 6.523 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 :: 113.700 Ave N Shift Values>> N :: 120.69(4.18) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 K 0.28 C 0.22 R 0.02 HN Overlap>> 1.Y54 1.Y54 C Shift Assignments>> C :: 175.057 CA :: 54.038 CB :: 40.856 CD1 :: 24.540 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 :: 7.368 HA :: 4.495 HB2 :: 1.080 HD11 :: 0.014 HD12 :: 0.014 HD13 :: 0.014 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 :: 118.967 Ave N Shift Values>> N :: 121.98(4.07) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.16 C 0.16 Q 0.13 M 0.12 E 0.11 K 0.07 C Shift Assignments>> C :: 176.788 CA :: 54.597 CB :: 30.566 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 :: 7.582 HA :: 5.178 HB2 :: 3.400 HB3 :: 3.236 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 :: 117.194 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G71 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>> CA :: 45.535 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.733 HA2 :: 3.921 HA3 :: 3.921 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.275 Ave N Shift Values>> N :: 109.91(4.29) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.17 G 0.03 C Shift Assignments>> C :: 173.756 CA :: 66.675 CB :: 32.490 CG :: 27.185 CD :: 49.043 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 :: 4.113 HD2 :: 3.161 HD3 :: 2.891 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.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 G 0.11 K 0.07 L 0.01 C Shift Assignments>> C :: 175.385 CA :: 56.610 CB :: 30.331 CD :: 43.691 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 :: 8.597 HA :: 4.167 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 :: 111.514 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.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.E50 1.A89 1.E50 1.A89 C Shift Assignments>> C :: 177.484 CA :: 64.127 CB :: 68.378 CG2 :: 21.375 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 :: 8.282 HA :: 3.972 HB :: 4.127 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 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 :: 119.282 Ave N Shift Values>> N :: 115.7(5.05) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.24 E 0.11 R 0.06 M 0.03 C Shift Assignments>> C :: 175.149 CA :: 56.318 CB :: 28.422 CG :: 33.999 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 :: 9.147 HA :: 4.168 HB2 :: 2.163 HB3 :: 1.977 HG2 :: 2.514 HG3 :: 2.514 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 :: 131.116 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.09 G 0.06 L 0.01 C Shift Assignments>> C :: 172.600 CA :: 59.360 CB :: 29.648 CG :: 27.132 CD :: 43.094 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 :: 8.978 HA :: 3.856 HB2 :: 1.831 HG2 :: 1.715 HG3 :: 1.630 HD2 :: 3.147 HD3 :: 3.147 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 :: 127.483 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.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.09 G 0.06 L 0.02 C Shift Assignments>> C :: 173.969 CA :: 59.046 CB :: 29.571 CG :: 27.096 CD :: 43.197 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 :: 8.939 HA :: 4.013 HB2 :: 1.798 HB3 :: 1.698 HG2 :: 1.618 HG3 :: 1.500 HD2 :: 3.095 HD3 :: 3.095 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 :: 118.473 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.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 173.069 CA :: 54.496 CB :: 18.663 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.621 HA :: 4.158 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.766 Ave N Shift Values>> N :: 123.23(3.7) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 HN Overlap>> 1.M124 1.M124 C Shift Assignments>> C :: 170.904 CA :: 55.072 CB :: 17.631 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.800 HA :: 3.747 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.528 Ave N Shift Values>> N :: 123.23(3.7) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 171.972 CA :: 54.775 CB :: 17.760 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.301 HA :: 4.144 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.359 Ave N Shift Values>> N :: 123.23(3.7) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 C 0.16 K 0.12 R 0.12 Q 0.12 H 0.11 I 0.11 M 0.03 V 0.03 C Shift Assignments>> C :: 172.278 CA :: 59.112 CB :: 29.446 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 :: 7.712 HA :: 3.949 HB2 :: 2.403 HB3 :: 2.253 HE21 :: 7.414 HE22 :: 6.780 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 :: 118.259 NE2 :: 112.056 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 175.894 CA :: 66.281 CB :: 37.654 CG1 :: 29.882 CG2 :: 16.123 CD1 :: 13.845 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 :: 7.520 HA :: 3.305 HB :: 1.839 HG12 :: 1.748 HG13 :: 1.748 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 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 :: 120.918 Ave N Shift Values>> N :: 121.6(4.72) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.3 I 0.05 C 0.02 C Shift Assignments>> C :: 171.169 CA :: 55.350 CB :: 17.689 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.343 HA :: 3.710 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.119 Ave N Shift Values>> N :: 123.23(3.7) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.12 R 0.06 M 0.02 I 0.02 C Shift Assignments>> C :: 172.600 CA :: 58.122 CB :: 28.463 CG :: 33.987 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 :: 8.322 HA :: 3.825 HB2 :: 2.030 HB3 :: 1.943 HG2 :: 2.381 HG3 :: 2.338 HE21 :: 7.364 HE22 :: 6.747 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 :: 115.799 NE2 :: 111.927 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.47 C 0.02 I 0.02 HN Overlap>> 1.C44 1.C44 C Shift Assignments>> C :: 172.208 CA :: 54.345 CB :: 17.895 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.741 HA :: 3.989 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.654 Ave N Shift Values>> N :: 123.23(3.7) 1.L86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 L 0.32 A 0.23 C Shift Assignments>> C :: 175.372 CA :: 55.252 CB :: 40.043 CG :: 27.361 CD1 :: 25.518 CD2 :: 21.072 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 :: 6.912 HA :: 3.354 HB2 :: 1.253 HB3 :: 1.253 HG :: 0.514 HD11 :: 1.522 HD12 :: 1.522 HD13 :: 1.522 HD21 :: -0.321(S) HD22 :: -0.321(S) HD23 :: -0.321(S) 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 :: 114.490 Ave N Shift Values>> N :: 121.98(4.07) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.23 A 0.08 R 0.05 G 0.01 C Shift Assignments>> C :: 174.078 CA :: 54.267 CB :: 42.175 CG :: 26.586 CD1 :: 25.474 CD2 :: 22.493 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 :: 7.199 HA :: 4.420 HB2 :: 1.724 HB3 :: 1.637 HG :: 1.629 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 116.838 Ave N Shift Values>> N :: 121.98(4.07) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 179.140 CA :: 44.375 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.450 HA2 :: 4.554 HA3 :: 3.732 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.593 Ave N Shift Values>> N :: 109.91(4.29) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.09 C 0.03 L 0.01 HN Overlap>> 1.E50 1.E50 1.T74 1.T74 C Shift Assignments>> C :: 175.969 CA :: 50.616 CB :: 19.979 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.298 HA :: 4.512 HB1 :: 1.233 HB2 :: 1.233 HB3 :: 1.233 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.326 Ave N Shift Values>> N :: 123.23(3.7) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.3 E 0.12 Q 0.02 C Shift Assignments>> C :: 176.915 CA :: 54.410 CB :: 33.492 CG :: 35.751 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 :: 7.884 HA :: 4.675 HB2 :: 1.995 HB3 :: 1.730 HG2 :: 2.177 HG3 :: 2.177 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 :: 117.538 Ave N Shift Values>> N :: 120.68(3.68) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.24 E 0.13 R 0.04 M 0.04 C Shift Assignments>> C :: 175.565 CA :: 55.713 CB :: 28.797 CG :: 34.239 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 :: 8.704 HA :: 5.104 HB2 :: 1.973 HB3 :: 1.731 HG2 :: 2.582 HG3 :: 2.154 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 :: 123.681 Ave N Shift Values>> N :: 120.68(3.68) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.21 R 0.09 G 0.09 C Shift Assignments>> C :: 178.654 CA :: 53.978 CB :: 35.007 CG :: 26.515 CD :: 42.934 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 :: 8.349 HA :: 4.623 HB2 :: 1.560 HB3 :: 1.486 HG2 :: 1.548 HG3 :: 1.548 HD2 :: 3.293 HD3 :: 3.043 HE :: 7.185 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 :: 125.719 NE :: 84.802 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.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.25 M 0.01 C Shift Assignments>> C :: 175.585 CA :: 54.823 CB :: 34.956 CG :: 25.619 CD :: 29.598 CE :: 41.957 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 :: 8.333 HA :: 5.588 HB2 :: 1.570 HB3 :: 1.496 HG2 :: 1.300 HG3 :: 1.178 HD2 :: 1.504 HD3 :: 1.504 HE2 :: 2.725 HE3 :: 2.725 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 :: 121.609 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.34 I 0.01 C Shift Assignments>> C :: 178.338 CA :: 61.303 CB :: 36.856 CG1 :: 20.827 CG2 :: 20.615 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 :: 9.009 HA :: 4.125 HB :: 1.538 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.593 HG22 :: 0.593 HG23 :: 0.593 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 :: 124.617 Ave N Shift Values>> N :: 121.02(4.96) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 M 0.18 K 0.03 Q 0.02 I 0.01 C Shift Assignments>> C :: 176.798 CA :: 55.026 CB :: 31.043 CG :: 36.509 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 :: 8.272 HA :: 5.200 HB2 :: 1.758 HB3 :: 1.758 HG2 :: 1.980 HG3 :: 1.861 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 :: 128.329 Ave N Shift Values>> N :: 120.68(3.68) 1.I96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 I 0.24 G 0.11 C Shift Assignments>> C :: 181.775 CA :: 60.264 CB :: 42.883 CG1 :: 28.441 CG2 :: 14.777 CD1 :: 14.421 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 :: 9.324 HA :: 4.128 HB :: 1.083 HG21 :: 0.359 HG22 :: 0.359 HG23 :: 0.359 HD11 :: -0.313(S) HD12 :: -0.313(S) HD13 :: -0.313(S) 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 :: 127.533 Ave N Shift Values>> N :: 121.6(4.72) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.356 CA :: 50.737 CB :: 18.832 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.015 HA :: 4.591 HB1 :: 0.766 HB2 :: 0.766 HB3 :: 0.766 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.530 Ave N Shift Values>> N :: 123.23(3.7) 1.F98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.89 C 0.04 L 0.04 C Shift Assignments>> C :: 178.649 CA :: 51.362 CB :: 45.274 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 :: 8.257 HA :: 5.347 HB2 :: 2.734 HB3 :: 1.682(S) HD1 :: 7.056 HD2 :: 7.056 HE1 :: 7.056 HE2 :: 7.056 HZ :: 7.056 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 :: 124.137 Ave N Shift Values>> N :: 120.69(4.18) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 Y 0.16 D 0.14 C 0.14 L 0.14 K 0.12 N 0.03 I 0.02 R 0.01 C Shift Assignments>> C :: 174.549 CA :: 56.571 CB :: 40.634 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 :: 9.195 HA :: 5.250 HB2 :: 2.641 HB3 :: 2.524 HD1 :: 7.100 HD2 :: 7.100 HE1 :: 7.100 HE2 :: 7.100 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 :: 117.178 Ave N Shift Values>> N :: 120.79(4.69) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.16 M 0.16 C 0.15 E 0.11 K 0.11 Q 0.1 V 0.01 C Shift Assignments>> C :: 173.785 CA :: 55.617 CB :: 31.170 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 :: 8.945 HE :: 6.489 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 :: 120.043 NE :: 86.028 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.K101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 C Shift Assignments>> C :: 174.568 CA :: 59.642 CB :: 31.785 CG :: 25.199 CD :: 29.387 CE :: 41.764 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 :: 8.136 HA :: 3.745 HB2 :: 1.272 HB3 :: 0.291(S) HD2 :: 1.252 HD3 :: 1.009 HE2 :: 2.564 HE3 :: 2.528 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 :: 124.075 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.26 C 0.14 Y 0.09 F 0.08 L 0.07 K 0.01 C Shift Assignments>> C :: 174.758 CA :: 53.769 CB :: 39.547 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 :: 7.862 HA :: 4.248 HB2 :: 3.011 HB3 :: 2.523 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 :: 113.653 Ave N Shift Values>> N :: 120.73(4.2) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 HN Overlap>> 1.G24 1.G24 C Shift Assignments>> C :: 177.357 CA :: 45.097 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 4.376 HA3 :: 3.817 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.323 Ave N Shift Values>> N :: 109.91(4.29) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.716 CA :: 58.629 CB :: 63.774 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.460 HA :: 4.211 HB2 :: 3.764 HB3 :: 3.764 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 :: 117.549 Ave N Shift Values>> N :: 116.3(3.95) 1.C105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.16 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.02 L 0.01 C Shift Assignments>> C :: 177.729 CA :: 56.446 CB :: 29.462 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.445 HA :: 4.772 HB2 :: 2.212 HB3 :: 2.212 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 :: 121.405 Ave N Shift Values>> N :: 119.95(4.79) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.21 K 0.16 C 0.1 F 0.09 Y 0.07 R 0.05 N 0.05 C Shift Assignments>> C :: 180.511 CA :: 55.014 CB :: 41.442 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 :: 9.268 HA :: 4.910 HB2 :: 2.894 HB3 :: 2.894 HD1 :: 6.928 HD2 :: 6.928 HE1 :: 6.928 HE2 :: 6.928 HZ :: 6.928 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 :: 127.819 Ave N Shift Values>> N :: 120.69(4.18) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.23 R 0.05 G 0.03 A 0.03 C Shift Assignments>> CA :: 54.016 CB :: 42.657 CG :: 27.115 CD1 :: 24.600 CD2 :: 23.246 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 :: 8.741 HA :: 4.381 HB2 :: 1.607 HB3 :: 1.301 HG :: 1.270 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.583 HD22 :: 0.583 HD23 :: 0.583 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 :: 123.879 Ave N Shift Values>> N :: 121.98(4.07) 1.C108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.18 P 0.16 C 0.14 V 0.14 K 0.12 R 0.08 H 0.06 E 0.05 Q 0.02 I 0.01 C Shift Assignments>> CB :: 32.072 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HB2 :: 2.680 HB3 :: 2.821 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) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.29 D 0.17 R 0.17 K 0.11 C 0.1 F 0.04 Y 0.03 N 0.02 G 0.02 C Shift Assignments>> C :: 176.324 CA :: 54.053 CB :: 42.742 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>> HA :: 4.385 HB2 :: 1.610 HB3 :: 1.302 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) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 C 0.17 K 0.17 R 0.14 H 0.12 E 0.1 Q 0.06 V 0.02 C Shift Assignments>> C :: 180.185 CA :: 56.638 CB :: 31.974 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 :: 9.030 HA :: 5.397 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 :: 125.645 Ave N Shift Values>> N :: 121.02(4.96) 1.D111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.31 R 0.2 D 0.14 C 0.11 G 0.08 K 0.05 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 176.185 CA :: 53.575 CB :: 43.335 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 :: 9.299 HA :: 4.786 HB2 :: 1.637(S) HB3 :: 1.298(S) 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 :: 128.092 Ave N Shift Values>> N :: 120.73(4.2) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 178.107 CA :: 61.033 CB :: 32.785 CG1 :: 20.837 CG2 :: 23.227 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 :: 9.214 HA :: 4.353 HB :: 1.781 HG11 :: 0.344 HG12 :: 0.344 HG13 :: 0.344 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 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 :: 129.209 Ave N Shift Values>> N :: 121.02(4.96) 1.V113 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.15 C 0.13 K 0.06 R 0.04 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> CA :: 51.455(S) CB :: 41.755(A) 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 :: 8.836 HA :: 5.137 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 :: 127.499 Ave N Shift Values>> N :: 121.02(4.96) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.149 CA :: 62.513 CB :: 32.490 CG :: 26.931 CD :: 50.626 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 :: 4.199 HB2 :: 1.905 HG2 :: 1.834 HG3 :: 1.637 HD2 :: 3.801 HD3 :: 3.694 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.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 177.241 CA :: 62.121 CB :: 32.915 CG1 :: 20.461 CG2 :: 20.461 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 :: 8.436 HA :: 4.014 HB :: 1.672 HG11 :: 0.689 HG12 :: 0.689 HG13 :: 0.689 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 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 :: 124.395 Ave N Shift Values>> N :: 121.02(4.96) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.33 K 0.25 G 0.01 C Shift Assignments>> C :: 175.062 CA :: 54.468 CB :: 35.695 CG :: 26.200 CD :: 29.547 CE :: 42.007 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 :: 8.518 HA :: 5.215 HB2 :: 1.521 HB3 :: 1.521 HG2 :: 1.152 HG3 :: 0.905 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 :: 126.406 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.18 D 0.14 Y 0.03 F 0.02 L 0.01 C Shift Assignments>> C :: 174.454 CA :: 50.482 CB :: 38.707 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 :: 8.393 HA :: 4.622 HB2 :: 3.360 HB3 :: 2.583 HD21 :: 7.505 HD22 :: 7.273 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 :: 117.872 ND2 :: 111.575 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.2 K 0.18 Q 0.17 I 0.08 R 0.02 M 0.01 C Shift Assignments>> C :: 175.170 CA :: 59.181 CB :: 28.689 CG :: 34.770 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 :: 9.136 HA :: 3.949 HB2 :: 1.974 HB3 :: 1.914 HG2 :: 2.610 HG3 :: 2.292 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 :: 119.013 Ave N Shift Values>> N :: 120.68(3.68) 1.D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.13 C 0.1 N 0.09 F 0.08 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.547 CA :: 54.272 CB :: 41.259 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 :: 7.323 HA :: 4.641 HB2 :: 2.758 HB3 :: 2.487 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 :: 116.866 Ave N Shift Values>> N :: 120.73(4.2) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 178.997 CA :: 45.205 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.948 HA2 :: 4.201 HA3 :: 3.482 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.623 Ave N Shift Values>> N :: 109.91(4.29) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> C :: 174.957 CA :: 50.913 CB :: 19.279 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.676 HA :: 4.270 HB1 :: 1.146 HB2 :: 1.146 HB3 :: 1.146 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.899 Ave N Shift Values>> N :: 123.23(3.7) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> CA :: 63.770 CB :: 31.224 CG1 :: 22.200 CG2 :: 22.200 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 :: 8.575 HA :: 3.684 HB :: 1.773 HG11 :: 0.778 HG12 :: 0.778 HG13 :: 0.778 HG21 :: 0.186 HG22 :: 0.186 HG23 :: 0.186 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 :: 121.991 Ave N Shift Values>> N :: 121.02(4.96) 1.I123 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 :: 175.563 CA :: 61.333 CB :: 40.088 CG1 :: 26.305 CG2 :: 18.854 CD1 :: 13.601 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 :: 8.699 HA :: 4.389 HB :: 1.768 HG12 :: 1.163 HG13 :: 0.911 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 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 :: 118.949 Ave N Shift Values>> N :: 121.6(4.72) 1.M124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 A 0.47 M 0.03 HN Overlap>> 1.A79 1.A79 C Shift Assignments>> C :: 179.522 CA :: 54.722 CB :: 39.054 CG :: 33.700 CE :: 18.341 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 :: 7.782 HA :: 5.069 HB2 :: 2.081 HB3 :: 1.584 HG2 :: 2.562 HG3 :: 2.272 HE1 :: 1.877 HE2 :: 1.877 HE3 :: 1.877 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 :: 120.427 Ave N Shift Values>> N :: 120.1(3.88) 1.F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.2 G 0.16 C 0.15 F 0.05 Y 0.04 K 0.02 D 0.02 C Shift Assignments>> C :: 177.434 CA :: 57.567 CB :: 44.048 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 :: 8.538 HA :: 5.076 HB2 :: 2.537 HB3 :: 2.281 HD1 :: 6.621 HD2 :: 6.621 HE1 :: 6.621 HE2 :: 6.621 HZ :: 6.621 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 :: 114.881 Ave N Shift Values>> N :: 120.69(4.18) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 176.888 CA :: 59.901 CB :: 39.756 CG1 :: 27.788 CG2 :: 17.554 CD1 :: 14.352 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 :: 9.150 HA :: 4.691 HB :: 1.374 HG21 :: 0.279 HG22 :: 0.279 HG23 :: 0.279 HD11 :: 0.216 HD12 :: 0.216 HD13 :: 0.216 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 :: 122.619 Ave N Shift Values>> N :: 121.6(4.72) 1.L127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.22 G 0.02 C Shift Assignments>> C :: 177.852 CA :: 55.991 CB :: 42.707 CG :: 31.462(S) CD1 :: 26.654 CD2 :: 24.564 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 :: 8.853 HA :: 5.298 HG :: 1.441 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.707 HD22 :: 0.707 HD23 :: 0.707 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 :: 127.786 Ave N Shift Values>> N :: 121.98(4.07) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 C 0.12 R 0.1 K 0.07 N 0.07 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> CA :: 52.034 CB :: 42.469 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 :: 8.677 HA :: 5.490 HB2 :: 2.817 HB3 :: 2.585 HD21 :: 7.283 HD22 :: 6.255 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 :: 121.139 ND2 :: 111.537 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.18 Y 0.14 L 0.14 C 0.13 D 0.07 R 0.06 I 0.03 C Shift Assignments>> C :: 176.793 CA :: 57.578 CB :: 41.336 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 :: 9.152 HA :: 4.963 HB2 :: 3.045 HB3 :: 2.710 HD1 :: 7.527 HD2 :: 7.527 HE1 :: 7.527 HE2 :: 7.527 HZ :: 7.527 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 :: 122.383 Ave N Shift Values>> N :: 120.69(4.18) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.31 E 0.18 Q 0.02 C Shift Assignments>> C :: 177.001 CA :: 54.532 CB :: 32.824 CG :: 35.922 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 :: 8.602 HA :: 4.817 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.268 HG3 :: 2.226 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 :: 123.199 Ave N Shift Values>> N :: 120.68(3.68) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 175.897 CA :: 63.940 CB :: 32.218 CG1 :: 22.936 CG2 :: 21.523 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 :: 8.931 HA :: 4.244 HB :: 1.934 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 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 :: 126.028 Ave N Shift Values>> N :: 121.02(4.96) 1.V132 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 :: 176.630 CA :: 62.156 CB :: 32.789 CG1 :: 20.980 CG2 :: 20.980 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 :: 8.591 HA :: 4.058 HB :: 1.932 HG11 :: 0.764 HG12 :: 0.764 HG13 :: 0.764 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 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 :: 128.734 Ave N Shift Values>> N :: 121.02(4.96) 1.M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.35 A 0.18 C Shift Assignments>> C :: 176.213 CA :: 55.038 CB :: 33.142 CG :: 31.842 CE :: 16.995 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 :: 8.311 HA :: 4.464 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 2.511 HG3 :: 2.440 HE1 :: 2.008 HE2 :: 2.008 HE3 :: 2.008 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 :: 123.077 Ave N Shift Values>> N :: 120.1(3.88) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.07 Q 0.05 I 0.04 C Shift Assignments>> C :: 175.640 CA :: 56.782 CB :: 30.425 CG :: 36.173 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 :: 8.499 HA :: 4.202 HB2 :: 2.000 HB3 :: 1.859 HG2 :: 2.216 HG3 :: 2.160 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 :: 123.119 Ave N Shift Values>> N :: 120.68(3.68) 1.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.19 C 0.19 Q 0.15 R 0.08 H 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 175.456 CA :: 56.513 CB :: 32.913 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 :: 8.354 HA :: 4.205 HB2 :: 1.729 HB3 :: 1.645 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 :: 121.820 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 141 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 132 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 17 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 0 C Shift Results: #Consistent: 518 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 862 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 141 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A32 CB = 25.249(S), Expected = 18.90, Std = 1.8500, ChiSquare = 5.9939e-04 1.D67 HA = 2.428(A), Expected = 4.61, Std = 0.3100, ChiSquare = 1.9403e-12 1.L86 HD21 = -0.321(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1306e-04 1.L86 HD22 = -0.321(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1306e-04 1.L86 HD23 = -0.321(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1306e-04 1.I96 HD11 = -0.313(S), Expected = 0.70, Std = 0.3000, ChiSquare = 7.3370e-04 1.I96 HD12 = -0.313(S), Expected = 0.70, Std = 0.3000, ChiSquare = 7.3370e-04 1.I96 HD13 = -0.313(S), Expected = 0.70, Std = 0.3000, ChiSquare = 7.3370e-04 1.F98 HB3 = 1.682(S), Expected = 2.97, Std = 0.3800, ChiSquare = 7.0027e-04 1.K101 HB3 = 0.291(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0227e-08 1.D111 HB2 = 1.637(S), Expected = 2.74, Std = 0.2900, ChiSquare = 1.4270e-04 1.D111 HB3 = 1.298(S), Expected = 2.70, Std = 0.2900, ChiSquare = 1.3349e-06 1.V113 Typing: Mistyped 1.V113 CA = 51.455(S), Expected = 62.48, Std = 3.0400, ChiSquare = 2.8713e-04 1.V113 CB = 41.755(A), Expected = 32.66, Std = 1.9100, ChiSquare = 1.9189e-06 1.L127 CG = 31.462(S), Expected = 26.77, Std = 1.2500, ChiSquare = 1.7431e-04