Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 43.723 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.733 HA3 :: 3.733 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.H2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.54 C 0.45 C Shift Assignments>> CA :: 55.847 CB :: 30.960 CD2 :: 119.410 CE1 :: 137.776 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>> HA :: 4.670 HB2 :: 2.966 HB3 :: 3.047 HD2 :: 6.970 HE1 :: 8.038 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) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.41 A 0.13 C Shift Assignments>> CA :: 56.001 CB :: 33.980 CG :: 32.825 CE :: 17.554 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 :: 8.608 HA :: 4.426 HB2 :: 1.933 HB3 :: 1.737 HG2 :: 2.406 HG3 :: 2.243 HE1 :: 2.135 HE2 :: 2.135 HE3 :: 2.135 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 :: 124.058 Ave N Shift Values>> N :: 120.1(3.88) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 60.388 CB :: 40.287 CG1 :: 27.113 CG2 :: 18.222 CD1 :: 13.140 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 :: 8.342 HA :: 4.368 HB :: 1.823 HG12 :: 1.358 HG13 :: 1.155 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 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 :: 123.340 Ave N Shift Values>> N :: 121.6(4.72) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.23 C 0.15 Y 0.1 F 0.09 L 0.06 C Shift Assignments>> CA :: 53.982 CB :: 39.269 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 :: 8.803 HA :: 4.768 HB2 :: 2.606 HB3 :: 2.941 HD21 :: 7.553 HD22 :: 6.840 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 :: 123.739 ND2 :: 112.474 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.37 C 0.35 M 0.26 C Shift Assignments>> CA :: 54.541 CB :: 36.519 CG :: 32.666 CE :: 18.025 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 :: 8.423 HA :: 4.854 HB2 :: 1.829 HB3 :: 1.957 HG2 :: 2.406 HG3 :: 2.713 HE1 :: 1.684 HE2 :: 1.684 HE3 :: 1.684 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.661 Ave N Shift Values>> N :: 120.1(3.88) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 K 0.22 G 0.01 C Shift Assignments>> CA :: 55.470 CB :: 36.000 CG :: 26.121 CD :: 29.448 CE :: 42.288 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 :: 9.032 HA :: 5.397 HB2 :: 1.754 HB3 :: 1.534 HG2 :: 1.390 HG3 :: 1.177 HD2 :: 1.589 HD3 :: 1.589 HE2 :: 2.919 HE3 :: 2.781 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 :: 124.170 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.32 C Shift Assignments>> CA :: 59.045 CB :: 35.412 CG1 :: 21.991 CG2 :: 20.474 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 :: 9.079 HA :: 4.965 HB :: 1.474 HG11 :: 0.238 HG12 :: 0.238 HG13 :: 0.238 HG21 :: 0.314 HG22 :: 0.314 HG23 :: 0.314 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 :: 124.710 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 0.51 L 0.18 C 0.18 M 0.08 G 0.01 K 0.01 C Shift Assignments>> CA :: 49.834 CB :: 22.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.706 HA :: 5.573 HB1 :: 1.101 HB2 :: 1.101 HB3 :: 1.101 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.816 Ave N Shift Values>> N :: 123.23(3.7) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> CA :: 60.671 CB :: 41.190 CG1 :: 28.862 CG2 :: 19.506 CD1 :: 13.482 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 :: 9.275 HA :: 4.959 HB :: 1.675 HG12 :: 1.477 HG13 :: 0.755 HG21 :: 0.730 HG22 :: 0.730 HG23 :: 0.730 HD11 :: 0.214 HD12 :: 0.214 HD13 :: 0.214 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 :: 121.130 Ave N Shift Values>> N :: 121.6(4.72) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.06 C Shift Assignments>> CA :: 55.160 CB :: 66.325 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.946 HA :: 4.102 HB2 :: 3.579 HB3 :: 4.084 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 :: 120.340 Ave N Shift Values>> N :: 116.3(3.95) 1.M12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.51 C 0.34 A 0.14 C Shift Assignments>> CA :: 54.210 CB :: 32.895 CG :: 32.342 CE :: 16.027 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 :: 8.839 HA :: 4.907 HB2 :: 0.294(S) HB3 :: 1.332 HG2 :: 1.995 HG3 :: 2.125 HE1 :: 1.637 HE2 :: 1.637 HE3 :: 1.637 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 :: 128.010 Ave N Shift Values>> N :: 120.1(3.88) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.15 C 0.1 R 0.07 F 0.07 N 0.06 Y 0.05 C Shift Assignments>> CA :: 54.274 CB :: 41.702 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 :: 8.496 HA :: 4.805 HB2 :: 2.306 HB3 :: 2.735 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.104 Ave N Shift Values>> N :: 120.73(4.2) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.06 C Shift Assignments>> CA :: 65.675 CB :: 31.738 CG2 :: 21.597 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 :: 8.381 HA :: 3.967 HB :: 2.087 HG11 :: 0.957 HG12 :: 0.957 HG13 :: 0.957 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.923 Ave N Shift Values>> N :: 121.02(4.96) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.12 C 0.1 K 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> CA :: 53.660 CB :: 41.220 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 :: 8.571 HA :: 4.584 HB2 :: 2.830 HB3 :: 2.616 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 :: 117.294 Ave N Shift Values>> N :: 120.73(4.2) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.19 R 0.17 G 0.06 M 0.05 A 0.01 C Shift Assignments>> CA :: 54.490 CB :: 36.090 CG :: 23.897 CD :: 29.867 CE :: 42.893 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 :: 7.528 HA :: 4.718 HB2 :: 1.722 HB3 :: 1.911 HG2 :: 1.245 HG3 :: 1.327 HD2 :: 1.537 HD3 :: 1.409 HE2 :: 2.776 HE3 :: 2.915 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 :: 117.860 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> CA :: 63.050 CB :: 38.693 CG1 :: 29.247 CG2 :: 16.201 CD1 :: 14.082 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 :: 8.268 HA :: 4.272 HB :: 1.410 HG12 :: 1.467 HG13 :: 0.845 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 HD11 :: 0.513 HD12 :: 0.513 HD13 :: 0.513 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 :: 121.570 Ave N Shift Values>> N :: 121.6(4.72) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 58.685 CB :: 65.146 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.888 HA :: 4.098 HB2 :: 3.215 HB3 :: 4.085 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 :: 121.055 Ave N Shift Values>> N :: 116.3(3.95) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.22 F 0.22 D 0.07 I 0.07 N 0.05 E 0.04 L 0.03 C Shift Assignments>> CA :: 57.007 CB :: 38.840 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.097 HA :: 4.329 HB2 :: 2.905 HB3 :: 2.905 HD21 :: 6.911 HD22 :: 7.757 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 :: 121.758 ND2 :: 114.257 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 S 0.19 C Shift Assignments>> CA :: 57.688 CB :: 67.802 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.221 HA :: 4.892 HB2 :: 4.157 HB3 :: 3.869 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 :: 109.438 Ave N Shift Values>> N :: 116.3(3.95) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.36 C 0.16 C Shift Assignments>> CA :: 61.973 CB :: 40.520 CD1 :: 131.334 CE1 :: 131.378 CZ :: 129.662 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 :: 8.935 HA :: 3.914 HB2 :: 3.213 HB3 :: 3.314 HD1 :: 6.991 HD2 :: 6.991 HE1 :: 6.815 HE2 :: 6.815 HZ :: 6.243 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 :: 122.127 Ave N Shift Values>> N :: 120.69(4.18) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.31 K 0.03 E 0.01 C Shift Assignments>> CA :: 61.417 CB :: 29.510 CG :: 39.821 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 :: 8.777 HA :: 3.962 HB2 :: 2.195 HB3 :: 1.893 HG2 :: 2.189 HG3 :: 2.716 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 :: 115.810 Ave N Shift Values>> N :: 120.68(3.68) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.12 C 0.1 K 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> CA :: 53.375 CB :: 41.334 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 :: 7.802 HA :: 4.650 HB2 :: 2.619 HB3 :: 2.587 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 :: 116.792 Ave N Shift Values>> N :: 120.73(4.2) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.15 K 0.15 C 0.15 H 0.11 E 0.09 I 0.07 M 0.01 C Shift Assignments>> CA :: 57.408 CB :: 27.450 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.425 HA :: 4.332 HB2 :: 3.060 HB3 :: 2.920 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 :: 115.802 Ave N Shift Values>> N :: 119.95(4.79) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.31 K 0.29 M 0.02 G 0.01 C Shift Assignments>> CA :: 57.590 CB :: 33.490 CG :: 25.984 CD :: 30.068 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 :: 8.393 HA :: 4.434 HB2 :: 2.178 HB3 :: 1.997 HG2 :: 1.578 HG3 :: 1.655 HD2 :: 1.851 HD3 :: 1.851 HE2 :: 2.969 HE3 :: 2.969 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 :: 121.530 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> CA :: 55.781 CB :: 40.320 CD1 :: 133.750 CE1 :: 118.349 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 :: 7.853 HA :: 4.530 HB2 :: 2.720 HB3 :: 2.385 HD1 :: 6.555 HD2 :: 6.555 HE1 :: 6.546 HE2 :: 6.546 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 :: 114.501 Ave N Shift Values>> N :: 120.79(4.69) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.29 C 0.26 C Shift Assignments>> CA :: 56.123 CB :: 41.217 CD1 :: 130.614 CE1 :: 130.936 CZ :: 129.934 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 :: 9.530 HA :: 4.986 HB2 :: 2.650 HB3 :: 2.412 HD1 :: 6.500 HD2 :: 6.500 HE1 :: 6.417 HE2 :: 6.417 HZ :: 6.020 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 :: 117.254 Ave N Shift Values>> N :: 120.69(4.18) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.24 C 0.19 R 0.03 A 0.01 C Shift Assignments>> CA :: 53.896 CB :: 45.306 CG :: 27.739 CD1 :: 26.347 CD2 :: 24.017 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 :: 8.808 HA :: 4.913 HB2 :: 1.371 HB3 :: 1.838 HG :: 1.358 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.432 Ave N Shift Values>> N :: 121.98(4.07) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.43 A 0.01 HN Overlap>> 1.V30 1.V30 C Shift Assignments>> CA :: 58.747 CB :: 36.253 CG1 :: 27.219 CG2 :: 17.490 CD1 :: 11.750 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 :: 9.488 HA :: 4.937 HB :: 1.982 HG12 :: 1.336 HG13 :: 1.105 HG21 :: 0.608 HG22 :: 0.608 HG23 :: 0.608 HD11 :: 0.537 HD12 :: 0.537 HD13 :: 0.537 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 :: 127.710 Ave N Shift Values>> N :: 121.6(4.72) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> CA :: 60.721 CB :: 34.480 CG1 :: 20.813 CG2 :: 22.592 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 :: 9.387 HA :: 4.678 HB :: 1.949 HG11 :: 0.753 HG12 :: 0.753 HG13 :: 0.753 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.670 Ave N Shift Values>> N :: 121.02(4.96) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.36 K 0.15 G 0.11 C Shift Assignments>> CA :: 55.383 CB :: 31.910 CG :: 28.530 CD :: 43.690 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.447 HA :: 4.985 HB2 :: 1.501 HB3 :: 1.932 HG2 :: 1.482 HG3 :: 1.328 HD2 :: 3.165 HD3 :: 2.977 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.835 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.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> CA :: 60.184 CB :: 41.033 CG1 :: 28.657 CG2 :: 17.494 CD1 :: 14.788 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 :: 9.142 HA :: 4.739 HB :: 1.527 HG12 :: 1.475 HG13 :: 1.475 HG21 :: 0.618 HG22 :: 0.618 HG23 :: 0.618 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 :: 129.118 Ave N Shift Values>> N :: 121.6(4.72) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.23 C 0.12 R 0.1 D 0.03 F 0.01 C Shift Assignments>> CA :: 53.826 CB :: 44.683 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 :: 8.671 HA :: 5.180 HB2 :: 2.488 HB3 :: 2.455 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.181 Ave N Shift Values>> N :: 120.73(4.2) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.2 C 0.17 D 0.15 L 0.09 N 0.07 I 0.03 K 0.03 E 0.01 C Shift Assignments>> CA :: 56.340 CB :: 39.750 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 :: 8.610 HA :: 4.067 HB2 :: 2.928 HB3 :: 2.518 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 :: 124.701 Ave N Shift Values>> N :: 120.73(4.2) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.2 Y 0.16 E 0.11 F 0.1 D 0.07 M 0.03 I 0.02 L 0.01 C Shift Assignments>> CA :: 55.225 CB :: 37.764 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 :: 7.987 HA :: 3.889 HB2 :: 3.035 HB3 :: 2.965 HD21 :: 6.801 HD22 :: 7.407 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 :: 107.939 ND2 :: 111.726 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.26 E 0.14 C Shift Assignments>> CA :: 54.840 CB :: 33.506 CG :: 36.157 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 :: 7.711 HA :: 4.609 HB2 :: 1.860 HB3 :: 1.940 HG2 :: 2.174 HG3 :: 2.174 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 :: 117.349 Ave N Shift Values>> N :: 120.68(3.68) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 64.387 CB :: 31.743 CG1 :: 21.686 CG2 :: 22.461 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 :: 8.661 HA :: 3.914 HB :: 1.951 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 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 :: 123.207 Ave N Shift Values>> N :: 121.02(4.96) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.14 G 0.01 C Shift Assignments>> CA :: 55.274 CB :: 34.579 CG :: 24.767 CD :: 28.370 CE :: 42.420 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 :: 9.125 HA :: 4.523 HB2 :: 1.854 HB3 :: 1.581 HG2 :: 1.534 HG3 :: 1.570 HD2 :: 1.680 HD3 :: 1.570 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.569 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 58.117 CB :: 64.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.520 HA :: 4.704 HB2 :: 3.875 HB3 :: 3.875 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.898 Ave N Shift Values>> N :: 116.3(3.95) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.36 C Shift Assignments>> CA :: 60.519 CB :: 72.633 CG2 :: 22.459 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 :: 8.122 HA :: 5.390 HB :: 3.956 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.018 Ave N Shift Values>> N :: 115.7(5.05) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.28 K 0.24 M 0.02 G 0.01 C Shift Assignments>> CA :: 55.610 CB :: 36.316 CG :: 24.913 CD :: 29.889 CE :: 42.305 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 :: 8.641 HA :: 4.597 HB2 :: 1.721 HB3 :: 1.721 HG2 :: 1.182 HG3 :: 1.259 HD2 :: 1.534 HD3 :: 1.534 HE2 :: 2.755 HE3 :: 2.755 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.890 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> CA :: 61.738 CB :: 34.630 CG1 :: 21.300 CG2 :: 21.088 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 :: 8.150 HA :: 4.757 HB :: 1.552 HG11 :: 0.209 HG12 :: 0.209 HG13 :: 0.209 HG21 :: 0.540 HG22 :: 0.540 HG23 :: 0.540 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 :: 121.400 Ave N Shift Values>> N :: 121.02(4.96) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.38 G 0.01 C Shift Assignments>> CA :: 60.187 CB :: 42.009 CG1 :: 27.549 CG2 :: 17.989 CD1 :: 13.727 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 :: 8.659 HA :: 4.369 HB :: 1.704 HG12 :: 1.391 HG13 :: 1.098 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 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 :: 125.520 Ave N Shift Values>> N :: 121.6(4.72) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.37 C 0.22 C Shift Assignments>> CA :: 60.362 CB :: 39.435 CD1 :: 131.411 CE1 :: 131.445 CZ :: 129.759 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 :: 9.053 HA :: 4.308 HB2 :: 3.035 HB3 :: 3.035 HD1 :: 7.269 HD2 :: 7.269 HE1 :: 7.166 HE2 :: 7.166 HZ :: 7.020 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 :: 127.064 Ave N Shift Values>> N :: 120.69(4.18) 1.N45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.53 C 0.2 D 0.08 Y 0.06 F 0.04 E 0.02 M 0.01 L 0.01 C Shift Assignments>> CA :: 52.427 CB :: 37.750 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 :: 7.661 HA :: 4.859 HB2 :: 2.619 HB3 :: 1.540(S) HD21 :: 5.948 HD22 :: 7.861 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 :: 119.400 ND2 :: 112.164 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>> D 0.32 L 0.19 N 0.14 C 0.11 K 0.08 F 0.04 R 0.04 Y 0.03 C Shift Assignments>> CA :: 52.273 CB :: 41.647 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 :: 7.851 HA :: 4.700 HB2 :: 2.797 HB3 :: 3.176 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 :: 123.371 Ave N Shift Values>> N :: 120.73(4.2) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.32 E 0.25 K 0.03 M 0.01 C Shift Assignments>> CA :: 60.769 CB :: 29.524 CG :: 36.632 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 :: 8.594 HA :: 4.036 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.331 HG3 :: 2.331 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 :: 119.009 Ave N Shift Values>> N :: 120.68(3.68) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.267 CB :: 63.288 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.189 HA :: 4.325 HB2 :: 3.956 HB3 :: 3.956 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.380 Ave N Shift Values>> N :: 116.3(3.95) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.27 P 0.13 A 0.06 N 0.02 L 0.01 D 0.01 C Shift Assignments>> CA :: 47.894 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.969 HA2 :: 4.689 HA3 :: 3.835 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.036 Ave N Shift Values>> N :: 109.91(4.29) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.37 K 0.18 G 0.02 C Shift Assignments>> CA :: 60.624 CB :: 32.839 CG :: 26.942 CD :: 29.790 CE :: 42.488 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 :: 8.432 HA :: 3.895 HB2 :: 1.941 HB3 :: 1.867 HG2 :: 1.424 HG3 :: 1.833 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.982 HE3 :: 2.982 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.788 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.32 R 0.28 G 0.01 M 0.01 C Shift Assignments>> CA :: 59.201 CB :: 32.716 CG :: 25.837 CD :: 29.774 CE :: 42.451 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 :: 7.463 HA :: 4.177 HB2 :: 2.009 HB3 :: 1.898 HG2 :: 1.455 HG3 :: 1.653 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 2.981 HE3 :: 2.981 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 :: 117.430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.446 CB :: 63.208 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.443 HA :: 4.189 HB2 :: 4.190 HB3 :: 3.936 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 :: 117.609 Ave N Shift Values>> N :: 116.3(3.95) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 64.740 CB :: 37.420 CG1 :: 28.557 CG2 :: 17.328 CD1 :: 12.101 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 :: 8.022 HA :: 3.475 HB :: 1.693 HG12 :: 0.643 HG13 :: 1.070 HG21 :: 0.498 HG22 :: 0.498 HG23 :: 0.498 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 :: 120.530 Ave N Shift Values>> N :: 121.6(4.72) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> CA :: 65.809 CB :: 32.229 CG1 :: 22.518 CG2 :: 21.546 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.854 HA :: 3.739 HB :: 2.172 HG11 :: 1.056 HG12 :: 1.056 HG13 :: 1.056 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 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 :: 117.890 Ave N Shift Values>> N :: 121.02(4.96) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.01 G 0.01 C Shift Assignments>> CA :: 58.390 CB :: 32.890 CG :: 25.264 CD :: 29.167 CE :: 42.457 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 :: 7.573 HA :: 4.076 HB2 :: 1.908 HB3 :: 1.856 HG2 :: 1.503 HG3 :: 1.448 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.969 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.590 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.08 K 0.07 I 0.07 HN Overlap>> 1.N70 1.N70 C Shift Assignments>> CA :: 56.904 CB :: 30.098 CG :: 36.575 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 :: 7.686 HA :: 3.908 HB2 :: 1.958 HB3 :: 1.892 HG2 :: 2.156 HG3 :: 2.156 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.772 Ave N Shift Values>> N :: 120.68(3.68) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.27 E 0.13 Y 0.1 M 0.06 F 0.05 D 0.03 K 0.02 I 0.01 HN Overlap>> 1.S93 1.S93 C Shift Assignments>> CA :: 54.255 CB :: 36.970 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 :: 7.826 HA :: 4.335 HB2 :: 2.972 HB3 :: 2.691 HD21 :: 6.694 HD22 :: 7.372 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 :: 114.897 ND2 :: 112.555 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 63.244 CB :: 32.251 CG1 :: 21.136 CG2 :: 23.192 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.531 HA :: 3.685 HB :: 2.025 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 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 :: 113.320 Ave N Shift Values>> N :: 121.02(4.96) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 D 0.14 R 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> CA :: 55.620 CB :: 42.099 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 :: 8.951 HA :: 4.938 HB2 :: 3.178 HB3 :: 2.779 HD21 :: 7.876 HD22 :: 6.920 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 :: 119.195 ND2 :: 110.526 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.45 C 0.2 A 0.14 M 0.08 K 0.07 P 0.01 R 0.01 C Shift Assignments>> CA :: 51.060 CB :: 23.326 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.782 HA :: 5.758(S) HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.420 Ave N Shift Values>> N :: 123.23(3.7) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 G 0.2 I 0.19 C Shift Assignments>> CA :: 59.261 CB :: 43.620 CG1 :: 29.118 CG2 :: 17.842 CD1 :: 13.908 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 :: 8.758 HA :: 5.141 HB :: 1.291 HG12 :: 1.369 HG13 :: 0.700 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.133 HD12 :: 0.133 HD13 :: 0.133 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 :: 121.459 Ave N Shift Values>> N :: 121.6(4.72) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 60.987 CB :: 40.620 CG1 :: 26.976 CG2 :: 17.414 CD1 :: 13.490 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 :: 8.724 HA :: 4.809 HB :: 1.429 HG12 :: 0.539 HG13 :: 1.103 HG21 :: 0.616 HG22 :: 0.616 HG23 :: 0.616 HD11 :: 0.212 HD12 :: 0.212 HD13 :: 0.212 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 :: 125.685 Ave N Shift Values>> N :: 121.6(4.72) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.19 C 0.17 M 0.15 E 0.14 K 0.11 V 0.01 C Shift Assignments>> CA :: 55.502 CB :: 30.880 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.704 HA :: 4.929 HB2 :: 3.012 HB3 :: 2.862 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 :: 117.777 Ave N Shift Values>> N :: 119.95(4.79) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.34 K 0.23 G 0.01 C Shift Assignments>> CA :: 58.900 CB :: 33.630 CG :: 26.902 CD :: 29.845 CE :: 42.174 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 :: 10.081 HA :: 4.167 HB2 :: 1.821 HB3 :: 1.821 HG2 :: 1.395 HG3 :: 1.216 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.750 HE3 :: 2.750 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 :: 121.550 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.17 D 0.16 C 0.12 G 0.12 K 0.04 F 0.02 N 0.02 Y 0.01 C Shift Assignments>> CA :: 52.825 CB :: 43.331 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 :: 6.944 HA :: 4.894 HB2 :: 2.740 HB3 :: 2.645 HD21 :: 7.758 HD22 :: 6.870 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 :: 112.640 ND2 :: 114.423 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.49 C Shift Assignments>> CA :: 60.315 CB :: 41.538 CG1 :: 29.332 CG2 :: 15.495 CD1 :: 13.488 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 :: 8.586 HA :: 5.285 HB :: 1.995 HG12 :: 1.717 HG13 :: 1.417 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 HD11 :: 0.076 HD12 :: 0.076 HD13 :: 0.076 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 :: 122.263 Ave N Shift Values>> N :: 121.6(4.72) 1.S67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> CA :: 58.346 CB :: 65.507 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.570(S) HA :: 4.388 HB2 :: 3.911 HB3 :: 4.302 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 :: 126.043 Ave N Shift Values>> N :: 116.3(3.95) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.29 K 0.03 M 0.01 C Shift Assignments>> CA :: 60.501 CB :: 29.734 CG :: 36.549 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 :: 8.952 HA :: 3.920 HB2 :: 2.075 HB3 :: 1.984 HG2 :: 2.174 HG3 :: 2.295 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 :: 122.929 Ave N Shift Values>> N :: 120.68(3.68) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.26 K 0.04 M 0.02 C Shift Assignments>> CA :: 59.997 CB :: 29.875 CG :: 36.600 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 :: 8.552 HA :: 3.920 HB2 :: 2.011 HB3 :: 1.811 HG2 :: 2.282 HG3 :: 2.164 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 :: 117.473 Ave N Shift Values>> N :: 120.68(3.68) 1.N70 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.25 Y 0.18 N 0.15 F 0.12 E 0.12 D 0.06 I 0.03 M 0.03 L 0.01 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> CA :: 55.690 CB :: 37.788 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 :: 7.684 HA :: 4.677 HB2 :: 2.841 HB3 :: 2.175 HD21 :: 10.058(A) HD22 :: 7.531 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 :: 116.860 ND2 :: 118.137 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> CA :: 63.266 CB :: 38.882 CD1 :: 132.500 CE1 :: 118.853 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 :: 9.219 HA :: 3.631 HB2 :: 2.866 HB3 :: 3.101 HD1 :: 6.715 HD2 :: 6.715 HE1 :: 6.688 HE2 :: 6.688 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.698 Ave N Shift Values>> N :: 120.79(4.69) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.3 K 0.29 G 0.02 C Shift Assignments>> CA :: 59.840 CB :: 32.760 CG :: 26.288 CD :: 29.448 CE :: 42.457 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 :: 8.497 HA :: 3.745 HB2 :: 1.797 HB3 :: 1.867 HG2 :: 1.709 HG3 :: 1.473 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.923 HE3 :: 2.923 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.540 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.18 M 0.02 G 0.01 C Shift Assignments>> CA :: 59.000 CB :: 33.460 CG :: 24.880 CD :: 29.842 CE :: 42.121 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 :: 7.268 HA :: 3.878 HB2 :: 1.613 HB3 :: 1.412 HG2 :: 1.178 HG3 :: 0.757 HD2 :: 1.533 HD3 :: 1.408 HE2 :: 2.759 HE3 :: 2.914 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 :: 117.250 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.35 C 0.21 C Shift Assignments>> CA :: 60.326 CB :: 39.840 CD1 :: 131.109 CE1 :: 131.068 CZ :: 129.024 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 :: 7.855 HA :: 4.345 HB2 :: 2.784 HB3 :: 2.443 HD1 :: 7.026 HD2 :: 7.026 HE1 :: 7.050 HE2 :: 7.050 HZ :: 7.099 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 :: 114.327 Ave N Shift Values>> N :: 120.69(4.18) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.010 CB :: 63.280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.009 HA :: 4.470 HB2 :: 3.608 HB3 :: 3.003 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.220 Ave N Shift Values>> N :: 116.3(3.95) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.22 M 0.02 G 0.01 C Shift Assignments>> CA :: 58.580 CB :: 32.200 CG :: 25.218 CD :: 29.448 CE :: 42.418 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 :: 7.313 HA :: 4.060 HB2 :: 1.797 HB3 :: 1.797 HG2 :: 1.478 HG3 :: 1.388 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.730 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.31 R 0.25 G 0.01 M 0.01 HN Overlap>> 1.S93 1.S93 C Shift Assignments>> CA :: 56.432 CB :: 35.570 CG :: 25.217 CD :: 29.120 CE :: 42.418 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 :: 7.630 HA :: 4.493 HB2 :: 1.706 HB3 :: 1.944 HG2 :: 1.392 HG3 :: 1.350 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.957 HE3 :: 2.957 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 :: 114.926 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I78 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>> CA :: 61.124 CB :: 41.460 CG1 :: 27.477 CG2 :: 17.935 CD1 :: 14.605 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 :: 7.840 HA :: 4.050 HB :: 1.534 HG12 :: 1.397 HG13 :: 0.997 HG21 :: 0.496 HG22 :: 0.496 HG23 :: 0.496 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 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 :: 120.922 Ave N Shift Values>> N :: 121.6(4.72) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.22 M 0.16 I 0.01 C Shift Assignments>> CA :: 56.446 CB :: 32.987 CG :: 37.106 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 :: 7.399 HA :: 4.283 HB2 :: 1.802 HB3 :: 2.168 HG2 :: 2.208 HG3 :: 2.475 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 :: 123.733 Ave N Shift Values>> N :: 120.68(3.68) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.K102 1.K102 C Shift Assignments>> CA :: 60.890 CB :: 38.492 CG1 :: 27.694 CG2 :: 19.333 CD1 :: 13.867 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 :: 8.476 HA :: 4.609 HB :: 1.733 HG12 :: 1.399 HG13 :: 0.676 HG21 :: 0.669 HG22 :: 0.669 HG23 :: 0.669 HD11 :: 0.419 HD12 :: 0.419 HD13 :: 0.419 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 :: 123.480 Ave N Shift Values>> N :: 121.6(4.72) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.4 G 0.02 C Shift Assignments>> CA :: 58.140 CB :: 42.180 CD1 :: 133.125 CE1 :: 118.729 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 :: 9.545 HA :: 4.825 HB2 :: 2.808 HB3 :: 2.745 HD1 :: 6.858 HD2 :: 6.858 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 :: 126.332 Ave N Shift Values>> N :: 120.79(4.69) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.62 C 0.37 C Shift Assignments>> CA :: 54.575 CB :: 30.002 CD2 :: 120.766 CE1 :: 136.746 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 :: 8.925 HA :: 5.172 HB2 :: 2.836 HB3 :: 3.287 HD2 :: 7.360 HE1 :: 8.537 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 :: 119.500 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.17 C 0.03 L 0.02 C Shift Assignments>> CA :: 52.204 CB :: 20.045 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.826 HA :: 4.103 HB1 :: 0.916 HB2 :: 0.916 HB3 :: 0.916 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.263 Ave N Shift Values>> N :: 123.23(3.7) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 M 0.15 K 0.13 I 0.01 C Shift Assignments>> CA :: 54.453 CB :: 30.069 CG :: 35.573 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 :: 9.505 HA :: 4.436 HB2 :: 1.811 HB3 :: 1.619 HG2 :: 2.142 HG3 :: 2.191 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 :: 123.774 Ave N Shift Values>> N :: 120.68(3.68) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.638 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.259 HA2 :: 4.041 HA3 :: 3.620 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.727 Ave N Shift Values>> N :: 109.91(4.29) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.16 C 0.1 K 0.09 F 0.04 G 0.03 Y 0.03 N 0.02 C Shift Assignments>> CA :: 54.090 CB :: 42.920 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.771 HA :: 4.562 HB2 :: 2.771 HB3 :: 2.514 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.615 Ave N Shift Values>> N :: 120.73(4.2) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.22 D 0.13 C 0.11 K 0.07 G 0.05 F 0.04 Y 0.03 N 0.01 C Shift Assignments>> CA :: 54.369 CB :: 43.210 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 :: 8.030 HA :: 4.838 HB2 :: 2.976 HB3 :: 2.563 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.330 Ave N Shift Values>> N :: 120.73(4.2) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.07 C Shift Assignments>> CA :: 67.541 CB :: 32.357 CG1 :: 20.238 CG2 :: 24.586 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 :: 9.182 HA :: 3.555 HB :: 1.927 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 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 :: 131.010 Ave N Shift Values>> N :: 121.02(4.96) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 C 0.17 I 0.09 K 0.09 L 0.07 D 0.04 R 0.01 C Shift Assignments>> CA :: 58.417 CB :: 40.511 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 :: 7.896 HA :: 4.256 HB2 :: 2.601 HB3 :: 2.703 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 :: 121.837 Ave N Shift Values>> N :: 120.73(4.2) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.01 G 0.01 HN Overlap>> 1.F95 1.F95 C Shift Assignments>> CA :: 58.806 CB :: 32.456 CG :: 25.009 CD :: 29.004 CE :: 42.464 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 :: 8.435 HA :: 4.038 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 1.395 HG3 :: 1.395 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 2.919 HE3 :: 2.919 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 :: 121.099 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 C 0.17 I 0.13 K 0.07 L 0.05 D 0.02 R 0.01 C Shift Assignments>> CA :: 59.160 CB :: 40.523 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 :: 7.758 HA :: 4.285 HB2 :: 2.109 HB3 :: 2.706 HD21 :: 7.403 HD22 :: 6.586 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 :: 117.112 ND2 :: 110.428 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I92 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>> CA :: 66.230 CB :: 37.514 CG1 :: 30.124 CG2 :: 17.773 CD1 :: 13.740 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 :: 8.490 HA :: 3.460 HB :: 1.924 HG12 :: 1.693 HG13 :: 0.650 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 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 :: 120.534 Ave N Shift Values>> N :: 121.6(4.72) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K77 1.N57 1.K77 1.N57 C Shift Assignments>> CA :: 62.969 CB :: 62.864 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.713 HA :: 3.952 HB2 :: 4.112 HB3 :: 4.112 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.902 Ave N Shift Values>> N :: 116.3(3.95) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.37 K 0.14 G 0.06 R 0.01 C Shift Assignments>> CA :: 58.203 CB :: 43.015 CG :: 27.096 CD1 :: 22.896 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 :: 8.383 HA :: 3.924 HB2 :: 1.081 HB3 :: 1.881 HG :: 1.821 HD11 :: 0.775 HD12 :: 0.775 HD13 :: 0.775 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 120.736 Ave N Shift Values>> N :: 121.98(4.07) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.36 C 0.19 HN Overlap>> 1.K90 1.K90 C Shift Assignments>> CA :: 61.490 CB :: 39.210 CD1 :: 130.752 CE1 :: 131.355 CZ :: 129.407 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 :: 8.438 HA :: 3.883 HB2 :: 3.214 HB3 :: 3.018 HD1 :: 6.473 HD2 :: 6.473 HE1 :: 6.572 HE2 :: 6.572 HZ :: 6.880 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 :: 121.040 Ave N Shift Values>> N :: 120.69(4.18) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> CA :: 65.680 CB :: 38.550 CG1 :: 31.031 CG2 :: 17.360 CD1 :: 14.056 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 :: 8.371 HA :: 3.343 HB :: 1.921 HG12 :: 1.970 HG13 :: 0.893 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 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 :: 122.360 Ave N Shift Values>> N :: 121.6(4.72) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.11 K 0.08 I 0.04 C Shift Assignments>> CA :: 56.628 CB :: 30.361 CG :: 36.221 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 :: 7.601 HA :: 4.099 HB2 :: 2.189 HB3 :: 1.848 HG2 :: 2.307 HG3 :: 2.348 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.173 Ave N Shift Values>> N :: 120.68(3.68) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> CA :: 46.624 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.664 HA2 :: 3.743 HA3 :: 3.887 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.883 Ave N Shift Values>> N :: 109.91(4.29) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 M 0.24 K 0.01 I 0.01 C Shift Assignments>> CA :: 56.386 CB :: 31.922 CG :: 36.107 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 :: 8.144 HA :: 4.303 HB2 :: 2.311 HB3 :: 1.602 HG2 :: 2.184 HG3 :: 1.976 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.831 Ave N Shift Values>> N :: 120.68(3.68) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.24 R 0.18 G 0.08 A 0.02 C Shift Assignments>> CA :: 54.533 CB :: 43.223 CG :: 27.243 CD1 :: 27.085 CD2 :: 23.509 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 :: 7.521 HA :: 4.782 HB2 :: 1.722 HB3 :: 1.792 HG :: 1.403 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 1.085 HD22 :: 1.085 HD23 :: 1.085 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 :: 117.977 Ave N Shift Values>> N :: 121.98(4.07) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 58.390 CB :: 65.036 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.667 HA :: 4.625 HB2 :: 3.944 HB3 :: 3.944 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 :: 120.072 Ave N Shift Values>> N :: 116.3(3.95) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.31 R 0.3 G 0.01 M 0.01 HN Overlap>> 1.I80 1.I80 C Shift Assignments>> CA :: 56.840 CB :: 33.480 CG :: 26.166 CD :: 29.423 CE :: 42.402 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 :: 8.563 HA :: 4.246 HB2 :: 1.462 HB3 :: 1.598 HG2 :: 1.180 HG3 :: 0.704 HD2 :: 1.452 HD3 :: 1.452 HE2 :: 2.809 HE3 :: 2.809 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.530 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I103 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>> CA :: 62.587 CB :: 38.516 CG1 :: 28.891 CG2 :: 17.276 CD1 :: 13.713 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 :: 8.518 HA :: 3.907 HB :: 1.444 HG12 :: 1.387 HG13 :: 0.872 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.328 Ave N Shift Values>> N :: 121.6(4.72) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.031 CB :: 64.619 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.308 HA :: 4.458 HB2 :: 3.672 HB3 :: 3.672 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 :: 122.218 Ave N Shift Values>> N :: 116.3(3.95) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.26 C 0.13 L 0.05 Y 0.04 F 0.04 C Shift Assignments>> CA :: 51.795 CB :: 39.628 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 :: 7.771 HA :: 4.520 HB2 :: 2.304 HB3 :: 2.588 HD21 :: 6.667 HD22 :: 7.213 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 :: 120.750 ND2 :: 112.749 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 65.034 CB :: 32.312 CG :: 27.453 CD :: 50.344 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 :: 4.059 HB2 :: 1.796 HB3 :: 1.992 HG2 :: 1.638 HG3 :: 1.777 HD2 :: 3.064 HD3 :: 3.328 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) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 367 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 776 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M12 HB2 = 0.294(S), Expected = 2.03, Std = 0.3800, ChiSquare = 4.9141e-06 1.N45 HB3 = 1.540(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.6526e-04 1.A60 HA = 5.758(S), Expected = 4.26, Std = 0.4200, ChiSquare = 3.6155e-04 1.S67 H = 10.570(S), Expected = 8.29, Std = 0.6200, ChiSquare = 2.3561e-04 1.N70 HD21 = 10.058(A), Expected = 7.27, Std = 0.5200, ChiSquare = 8.2516e-08