Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.31 M 0.14 E 0.11 R 0.06 C Shift Assignments>> C :: 175.063 CA :: 55.362 CB :: 29.607 CG :: 33.518 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>> HA :: 4.202 HB2 :: 1.815 HB3 :: 1.811 HG2 :: 2.047 HG3 :: 2.142 HE21 :: 7.391 HE22 :: 6.754 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 :: 112.453 NE2 :: 112.466 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.542 CA :: 57.026 CB :: 38.872 CD1 :: 133.915 CD2 :: 133.915 CE1 :: 118.263 CE2 :: 118.263 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.131 HA :: 4.397 HB2 :: 2.504 HB3 :: 2.131 HD1 :: 6.779 HD2 :: 6.779 HE1 :: 6.687 HE2 :: 6.687 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 :: 121.733 Ave N Shift Values>> N :: 120.79(4.69) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.03 G 0.01 C Shift Assignments>> C :: 175.840 CA :: 56.611 CB :: 32.873 CG :: 25.100 CD :: 28.816 CE :: 41.963 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 :: 8.916 HA :: 4.063 HB2 :: 1.749 HB3 :: 1.660 HG2 :: 1.318 HG3 :: 1.129 HD2 :: 1.639 HD3 :: 1.638 HE2 :: 2.820 HE3 :: 2.814 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 :: 125.174 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 176.582 CA :: 59.509 CB :: 37.474 CG1 :: 27.919 CG2 :: 17.860 CD1 :: 11.547 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 :: 7.973 HA :: 4.715 HB :: 1.628 HG12 :: 1.500 HG13 :: 1.185 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 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 :: 124.961 Ave N Shift Values>> N :: 121.6(4.72) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> CA :: 55.621 CB :: 41.802 CD1 :: 133.534 CD2 :: 133.534 CE1 :: 118.673 CE2 :: 118.673 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 :: 9.115 HA :: 4.908 HB2 :: 2.876 HB3 :: 2.313 HD1 :: 6.966 HD2 :: 6.966 HE1 :: 6.545 HE2 :: 6.545 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 :: 126.648 Ave N Shift Values>> N :: 120.79(4.69) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.042 CA :: 62.193 CB :: 32.385 CG :: 27.865 CD :: 50.753 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 :: 4.658 HB2 :: 2.565 HB3 :: 2.029 HG2 :: 2.170 HG3 :: 2.097 HD2 :: 3.993 HD3 :: 3.766 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.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.702 CA :: 61.047 CB :: 37.809 CD1 :: 133.019 CD2 :: 133.019 CE1 :: 118.310 CE2 :: 118.310 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 :: 10.315 HA :: 4.048 HB2 :: 3.089 HB3 :: 2.809 HD1 :: 6.931 HD2 :: 6.931 HE1 :: 6.599 HE2 :: 6.599 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 :: 128.942 Ave N Shift Values>> N :: 120.79(4.69) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.19 L 0.18 Y 0.15 D 0.15 R 0.05 I 0.02 N 0.02 C Shift Assignments>> C :: 177.274 CA :: 56.669 CB :: 41.098 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 :: 8.641 HA :: 3.899 HB2 :: 2.539 HB3 :: 2.445 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 :: 113.980 Ave N Shift Values>> N :: 120.73(4.2) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.823 CA :: 59.796 CB :: 64.042 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.794 HA :: 4.335 HB2 :: 3.934 HB3 :: 3.814 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.271 Ave N Shift Values>> N :: 116.3(3.95) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.33 A 0.15 R 0.07 C Shift Assignments>> C :: 175.443 CA :: 54.603 CB :: 44.090 CG :: 25.578 CD1 :: 26.623 CD2 :: 22.112 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 :: 7.508 HA :: 4.077 HB2 :: 1.642 HB3 :: 1.385 HG :: 1.602 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.457 HD22 :: 0.457 HD23 :: 0.457 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 :: 120.512 Ave N Shift Values>> N :: 121.98(4.07) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.512 CA :: 62.479 CB :: 39.600 CG1 :: 26.341 CG2 :: 18.073 CD1 :: 13.479 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 :: 6.487 HA :: 3.908 HB :: 1.508 HG12 :: 1.151 HG13 :: 0.813 HG21 :: 0.558 HG22 :: 0.558 HG23 :: 0.558 HD11 :: 0.521 HD12 :: 0.521 HD13 :: 0.521 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 :: 112.881 Ave N Shift Values>> N :: 121.6(4.72) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.518 CA :: 63.600 CB :: 32.977 CG1 :: 21.071 CG2 :: 20.312 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 :: 8.412 HA :: 3.947 HB :: 1.922 HG11 :: 0.810 HG12 :: 0.810 HG13 :: 0.810 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 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 :: 120.733 Ave N Shift Values>> N :: 121.02(4.96) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.160 CB :: 68.722 CG2 :: 22.536 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 :: 7.275 HA :: 4.022 HB :: 3.992 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 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 :: 114.032 Ave N Shift Values>> N :: 115.7(5.05) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.18 Y 0.11 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> CA :: 53.445 CB :: 38.406 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>> HA :: 4.726 HB2 :: 2.882 HB3 :: 2.706 HD21 :: 7.714 HD22 :: 6.875 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>> ND2 :: 113.487 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.69 K 0.21 G 0.07 L 0.01 C Shift Assignments>> C :: 176.531 CA :: 56.716 CB :: 30.598 CG :: 26.931 CD :: 43.023 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>> HA :: 4.272 HB2 :: 1.732 HB3 :: 1.732 HG2 :: 1.553 HG3 :: 1.554 HD2 :: 3.100 HD3 :: 3.101 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) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.327 CA :: 61.958 CB :: 38.120 CG1 :: 27.541 CG2 :: 17.517 CD1 :: 12.826 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 :: 7.794 HA :: 4.030 HB :: 1.848 HG12 :: 1.384 HG13 :: 1.183 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 117.694 Ave N Shift Values>> N :: 121.6(4.72) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.26 G 0.06 L 0.01 C Shift Assignments>> C :: 175.947 CA :: 56.564 CB :: 30.620 CG :: 27.344 CD :: 42.978 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 :: 7.935 HA :: 4.251 HB2 :: 1.774 HB3 :: 1.774 HG2 :: 1.546 HG3 :: 1.546 HD2 :: 3.141 HD3 :: 3.141 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 :: 121.108 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.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.087 CA :: 61.818 CB :: 33.158 CG1 :: 20.889 CG2 :: 21.052 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 :: 7.827 HA :: 4.049 HB :: 1.980 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 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 :: 119.588 Ave N Shift Values>> N :: 121.02(4.96) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.29 M 0.06 C Shift Assignments>> C :: 175.904 CA :: 55.284 CB :: 32.247 CG :: 24.511 CD :: 28.890 CE :: 41.758 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 :: 8.241 HA :: 4.273 HB2 :: 1.631 HB3 :: 1.714 HG2 :: 1.310 HG3 :: 1.307 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.907 HE3 :: 2.907 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 :: 125.066 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.05 R 0.03 G 0.01 C Shift Assignments>> CA :: 52.775 CB :: 41.917 CG :: 26.725 CD1 :: 25.507 CD2 :: 23.437 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 :: 8.144 HA :: 4.372 HB2 :: 1.440 HB3 :: 1.106 HG :: 1.485 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 HD21 :: 0.631 HD22 :: 0.631 HD23 :: 0.631 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 :: 125.353 Ave N Shift Values>> N :: 121.98(4.07) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.274 CA :: 62.518 CB :: 32.546 CG :: 27.339 CD :: 50.451 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 :: 4.299 HB2 :: 2.207 HB3 :: 1.613 HG2 :: 1.609 HG3 :: 1.206 HD2 :: 3.732 HD3 :: 2.883 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.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.29 M 0.05 C Shift Assignments>> C :: 176.465 CA :: 57.984 CB :: 32.298 CG :: 24.514 CD :: 29.001 CE :: 41.741 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 :: 8.495 HA :: 3.984 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 1.444 HG3 :: 1.444 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.948 HE3 :: 2.953 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 :: 120.273 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.31 Y 0.09 F 0.09 L 0.08 K 0.01 C Shift Assignments>> C :: 175.640 CA :: 53.397 CB :: 39.609 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 :: 8.105 HA :: 4.486 HB2 :: 2.941 HB3 :: 2.554 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 :: 114.896 Ave N Shift Values>> N :: 120.73(4.2) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.226 CA :: 60.948 CB :: 32.168 CG1 :: 21.535 CG2 :: 21.897 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 :: 6.943 HA :: 4.030 HB :: 1.525 HG11 :: 0.311 HG12 :: 0.311 HG13 :: 0.311 HG21 :: 0.185 HG22 :: 0.185 HG23 :: 0.185 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 :: 116.559 Ave N Shift Values>> N :: 121.02(4.96) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.16 K 0.06 F 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 177.014 CA :: 52.446 CB :: 40.939 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 :: 9.742 HA :: 4.682 HB2 :: 3.181 HB3 :: 2.655 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 :: 128.563 Ave N Shift Values>> N :: 120.73(4.2) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.21 G 0.05 L 0.03 C Shift Assignments>> C :: 177.492 CA :: 57.965 CB :: 29.631 CG :: 27.801 CD :: 42.860 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 :: 8.640 HA :: 3.825 HB2 :: 1.857 HB3 :: 1.857 HG2 :: 1.679 HG3 :: 1.560 HD2 :: 3.186 HD3 :: 3.075 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 :: 124.916 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.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.349 CA :: 62.683 CB :: 69.415 CG2 :: 21.804 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 :: 8.724 HA :: 4.467 HB :: 4.354 HG21 :: 1.226 HG22 :: 1.226 HG23 :: 1.226 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 :: 110.779 Ave N Shift Values>> N :: 115.7(5.05) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.15 K 0.12 L 0.01 C Shift Assignments>> C :: 176.703 CA :: 53.737 CB :: 30.900 CG :: 26.578 CD :: 43.322 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 :: 7.714 HA :: 4.944 HB2 :: 1.790 HB3 :: 1.424 HG2 :: 1.656 HG3 :: 1.511 HD2 :: 3.143 HD3 :: 3.051 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 :: 124.233 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.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 R 0.24 G 0.17 C Shift Assignments>> C :: 178.454 CA :: 58.349 CB :: 43.431 CG :: 26.856 CD1 :: 24.824 CD2 :: 26.514 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 :: 8.272 HA :: 4.098 HB2 :: 1.458 HB3 :: 1.905 HG :: 1.921 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 120.495 Ave N Shift Values>> N :: 121.98(4.07) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 M 0.17 Q 0.17 W 0.1 V 0.1 R 0.08 H 0.06 E 0.04 C Shift Assignments>> C :: 177.116 CA :: 58.325 CG :: 33.114 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 :: 10.176 HA :: 4.133 HB2 :: 1.933 HB3 :: 1.831 HG2 :: 2.360 HG3 :: 2.263 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 :: 115.901 Ave N Shift Values>> N :: 120.68(3.68) 1.R31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.59 K 0.25 L 0.13 G 0.01 C Shift Assignments>> C :: 175.348 CA :: 56.205 CB :: 28.935 CG :: 27.871 CD :: 41.999 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 :: 7.731 HA :: 3.857 HB2 :: 1.192 HB3 :: 0.794(S) HG2 :: 1.363 HG3 :: 1.130 HD2 :: 2.545 HD3 :: 2.818 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 :: 119.316 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.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.88 H 0.11 C Shift Assignments>> C :: 172.712 CA :: 56.333 CB :: 29.120 CD2 :: 130.421 CE1 :: 139.437 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 :: 7.703 HA :: 4.443 HB2 :: 3.847 HB3 :: 3.336 HD2 :: 7.044 HE1 :: 8.287 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 :: 115.047 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.34 R 0.09 C Shift Assignments>> C :: 178.490 CA :: 53.165 CB :: 43.984 CG :: 26.868 CD1 :: 24.525 CD2 :: 26.652 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 :: 6.624 HA :: 5.060 HB2 :: 2.059 HB3 :: 1.680 HG :: 1.924 HD11 :: 1.108 HD12 :: 1.108 HD13 :: 1.108 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 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 :: 115.408 Ave N Shift Values>> N :: 121.98(4.07) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.109 CB :: 62.189 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.940 HA :: 4.441 HB2 :: 4.504 HB3 :: 4.065 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 :: 120.867 Ave N Shift Values>> N :: 116.3(3.95) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 180.014 CA :: 65.497 CB :: 31.224 CG :: 28.099 CD :: 49.507 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 :: 4.516 HB2 :: 2.313 HB3 :: 1.908 HG2 :: 2.202 HG3 :: 2.051 HD2 :: 3.925 HD3 :: 3.857 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.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 E 0.29 K 0.03 C Shift Assignments>> C :: 179.679 CA :: 60.496 CB :: 28.623 CG :: 37.112 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 :: 8.772 HA :: 4.035 HB2 :: 2.064 HB3 :: 1.923 HG2 :: 2.446 HG3 :: 2.216 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 :: 117.055 Ave N Shift Values>> N :: 120.68(3.68) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 E 0.13 K 0.02 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 177.932 CA :: 60.163 CB :: 29.827 CG :: 39.142 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 :: 8.015 HA :: 4.100 HB2 :: 2.128 HB3 :: 1.890 HG2 :: 2.493 HG3 :: 2.111 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 :: 120.774 Ave N Shift Values>> N :: 120.68(3.68) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.651 CA :: 62.845 CB :: 39.553 CD1 :: 132.801 CD2 :: 132.801 CE1 :: 131.276 CE2 :: 131.276 CZ :: 129.218 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 :: 9.410 HA :: 3.648 HB2 :: 3.263 HB3 :: 2.996 HD1 :: 7.097 HD2 :: 7.097 HE1 :: 7.012 HE2 :: 7.012 HZ :: 6.805 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 :: 121.510 Ave N Shift Values>> N :: 120.69(4.18) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.87 E 0.12 C Shift Assignments>> C :: 179.315 CA :: 58.334 CB :: 27.553 CG :: 33.133 CD :: 179.561 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 :: 7.872 HA :: 4.140 HB2 :: 2.214 HB3 :: 2.047 HG2 :: 2.238 HG3 :: 2.351 HE21 :: 7.295 HE22 :: 6.565 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.948 NE2 :: 109.970 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.18 K 0.14 Q 0.1 M 0.06 C Shift Assignments>> C :: 178.030 CA :: 59.030 CB :: 29.743 CG :: 35.790 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 :: 7.465 HA :: 3.882 HB2 :: 1.991 HB3 :: 2.089 HG2 :: 2.241 HG3 :: 2.127 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 :: 119.937 Ave N Shift Values>> N :: 120.68(3.68) 1.V41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.566 CA :: 65.379 CB :: 32.099 CG1 :: 21.025 CG2 :: 20.717 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 :: 8.077 HA :: 3.178 HB :: 1.119 HG11 :: -0.052(S) HG12 :: -0.052(S) HG13 :: -0.052(S) HG21 :: -0.494(S) HG22 :: -0.494(S) HG23 :: -0.494(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.390 Ave N Shift Values>> N :: 121.02(4.96) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.97 Y 0.02 C Shift Assignments>> C :: 176.858 CA :: 59.489 CB :: 40.015 CD1 :: 132.141 CD2 :: 132.141 CE1 :: 129.889 CE2 :: 129.889 CZ :: 127.549 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 :: 8.408 HA :: 4.307 HB2 :: 2.776 HB3 :: 2.335 HD1 :: 6.207 HD2 :: 6.207 HE1 :: 6.424 HE2 :: 6.424 HZ :: 6.561 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 :: 113.570 Ave N Shift Values>> N :: 120.69(4.18) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.007 CA :: 46.361 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.091 HA2 :: 3.903 HA3 :: 3.903 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.977 Ave N Shift Values>> N :: 109.91(4.29) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 I 0.01 C Shift Assignments>> C :: 172.092 CA :: 53.588 CB :: 34.376 CG :: 29.188 CE :: 16.562 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 :: 7.573 HA :: 4.731 HB2 :: 2.331 HB3 :: 2.156 HG2 :: 2.737 HG3 :: 2.225 HE1 :: 2.119 HE2 :: 2.119 HE3 :: 2.119 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 :: 113.741 Ave N Shift Values>> N :: 120.1(3.88) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 176.467 CA :: 56.946 CB :: 65.851 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.477 HA :: 4.715 HB2 :: 4.237 HB3 :: 3.973 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.450 Ave N Shift Values>> N :: 116.3(3.95) 1.I46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.010 CA :: 64.393 CB :: 37.226 CG1 :: 29.244 CG2 :: 16.168 CD1 :: 14.262 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 :: 8.721 HA :: 3.319 HB :: 0.175(S) HG12 :: 0.777 HG13 :: 0.780 HG21 :: 0.543 HG22 :: 0.543 HG23 :: 0.543 HD11 :: 0.356 HD12 :: 0.356 HD13 :: 0.356 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 :: 123.820 Ave N Shift Values>> N :: 121.6(4.72) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.37 K 0.06 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 179.559 CA :: 59.791 CB :: 28.593 CG :: 36.938 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 :: 8.050 HA :: 3.950 HB2 :: 1.930 HB3 :: 1.767 HG2 :: 2.160 HG3 :: 2.270 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 :: 120.765 Ave N Shift Values>> N :: 120.68(3.68) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.32 K 0.05 M 0.04 C Shift Assignments>> C :: 179.150 CA :: 58.750 CB :: 29.912 CG :: 37.097 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 :: 7.219 HA :: 3.796 HB2 :: 2.007 HB3 :: 2.199 HG2 :: 2.240 HG3 :: 2.239 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 :: 118.111 Ave N Shift Values>> N :: 120.68(3.68) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.947 CA :: 60.941 CB :: 40.366 CD1 :: 132.870 CD2 :: 132.870 CE1 :: 130.990 CE2 :: 130.990 CZ :: 129.383 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 :: 8.331 HA :: 4.083 HB2 :: 3.290 HB3 :: 2.903 HD1 :: 7.379 HD2 :: 7.379 HE1 :: 6.236 HE2 :: 6.236 HZ :: 5.478 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 :: 123.947 Ave N Shift Values>> N :: 120.69(4.18) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.21 Y 0.19 L 0.15 K 0.08 N 0.07 I 0.02 R 0.01 C Shift Assignments>> C :: 177.493 CA :: 56.066 CB :: 40.302 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 :: 8.431 HA :: 4.273 HB2 :: 2.531 HB3 :: 2.525 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 :: 116.461 Ave N Shift Values>> N :: 120.73(4.2) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.19 G 0.15 C Shift Assignments>> C :: 177.377 CA :: 56.423 CB :: 30.968 CG :: 27.873 CD :: 43.628 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 :: 7.042 HA :: 4.136 HB2 :: 1.878 HB3 :: 1.704 HG2 :: 1.852 HG3 :: 1.551 HD2 :: 3.146 HD3 :: 3.081 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 :: 116.016 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.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 A 0.23 G 0.06 R 0.06 C Shift Assignments>> C :: 176.995 CA :: 53.909 CB :: 42.729 CG :: 25.636 CD1 :: 26.251 CD2 :: 22.001 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 :: 7.404 HA :: 4.058 HB2 :: 0.887 HB3 :: 1.669 HG :: 1.825 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 HD21 :: 0.657 HD22 :: 0.657 HD23 :: 0.657 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 :: 120.459 Ave N Shift Values>> N :: 121.98(4.07) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 178.349 CA :: 51.724 CB :: 18.885 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.150 HA :: 4.056 HB1 :: 1.119 HB2 :: 1.119 HB3 :: 1.119 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.361 Ave N Shift Values>> N :: 123.23(3.7) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 K 0.12 C Shift Assignments>> C :: 178.106 CA :: 58.736 CB :: 41.398 CD1 :: 25.553 CD2 :: 23.085 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 :: 8.694 HA :: 3.668 HB2 :: 1.831 HB3 :: 1.524 HD11 :: 0.902 HD12 :: 0.902 HD13 :: 0.902 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.353 Ave N Shift Values>> N :: 121.98(4.07) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 177.881 CA :: 59.254 CB :: 26.656 CD1 :: 127.996 CE3 :: 121.387 CZ2 :: 115.001 CZ3 :: 122.754 CH2 :: 125.299 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.044 HA :: 4.302 HB2 :: 3.451 HB3 :: 3.198 HD1 :: 7.453 HE1 :: 10.300 HE3 :: 7.385 HZ2 :: 7.451 HZ3 :: 7.094 HH2 :: 7.201 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 114.222 NE1 :: 129.910 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.59 R 0.36 M 0.03 C Shift Assignments>> C :: 178.130 CA :: 57.638 CB :: 31.110 CG :: 24.553 CD :: 28.614 CE :: 41.532 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 :: 5.948(S) HA :: 3.537 HB2 :: 1.351 HB3 :: 0.397(S) HG2 :: 0.652 HG3 :: 0.900 HD2 :: 1.482 HD3 :: 1.390 HE2 :: 2.722 HE3 :: 2.836 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 :: 124.104 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.58 G 0.33 K 0.07 C Shift Assignments>> C :: 179.019 CA :: 60.312 CB :: 30.634 CG :: 28.435 CD :: 43.916 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 :: 7.736 HA :: 3.374 HB2 :: 1.693 HB3 :: 1.398 HG2 :: -0.184(S) HG3 :: 0.876 HD2 :: 2.543 HD3 :: 2.962 HE :: 6.394 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 :: 119.689 NE :: 108.780 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.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.89 D 0.1 C Shift Assignments>> C :: 177.757 CA :: 55.513 CB :: 37.077 CG :: 174.835 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 :: 8.397 HA :: 4.562 HB2 :: 2.852 HB3 :: 2.559 HD21 :: 7.661 HD22 :: 6.945 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 :: 116.293 ND2 :: 110.219 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.22 Y 0.16 L 0.14 R 0.09 D 0.06 I 0.05 C Shift Assignments>> C :: 179.166 CA :: 58.104 CB :: 41.532 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 :: 7.946 HA :: 4.384 HB2 :: 2.833 HB3 :: 2.728 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 :: 122.930 Ave N Shift Values>> N :: 120.73(4.2) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.24 G 0.01 A 0.01 C Shift Assignments>> C :: 181.121 CA :: 57.918 CB :: 42.052 CG :: 27.045 CD2 :: 22.494 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 :: 8.410 HA :: 4.136 HB2 :: 2.321 HB3 :: 1.712 HG :: 1.959 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 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 :: 119.199 Ave N Shift Values>> N :: 121.98(4.07) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.35 G 0.1 C Shift Assignments>> C :: 178.388 CA :: 61.260 CB :: 31.615 CG :: 24.686 CE :: 42.630 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 :: 8.763 HA :: 3.993 HB2 :: 2.108 HB3 :: 1.869 HG2 :: 0.835 HG3 :: 0.946 HD2 :: 1.367 HD3 :: 1.367 HE2 :: 2.887 HE3 :: 3.127 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 :: 119.499 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.27 M 0.01 C Shift Assignments>> C :: 181.046 CA :: 60.176 CB :: 32.134 CG :: 26.056 CD :: 29.281 CE :: 41.401 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 :: 8.606 HA :: 4.147 HB2 :: 1.917 HB3 :: 1.917 HG2 :: 1.282 HG3 :: 1.160 HD2 :: 1.448 HD3 :: 1.448 HE2 :: 2.374 HE3 :: 2.374 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 :: 121.435 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.28 M 0.02 C Shift Assignments>> C :: 177.192 CA :: 59.186 CB :: 32.162 CG :: 25.568 CD :: 28.923 CE :: 41.659 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 :: 7.888 HA :: 4.000 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.568 HG3 :: 1.426 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.956 HE3 :: 2.956 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 :: 121.604 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 L 0.01 C Shift Assignments>> C :: 176.529 CA :: 51.407 CB :: 19.880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.514 HA :: 4.195 HB1 :: 1.053 HB2 :: 1.053 HB3 :: 1.053 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.839 Ave N Shift Values>> N :: 123.23(3.7) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 A 0.12 C Shift Assignments>> C :: 175.926 CA :: 56.108 CB :: 38.491 CG :: 26.726 CD1 :: 25.841 CD2 :: 22.588 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 :: 7.860 HA :: 4.192 HB2 :: 2.480 HB3 :: 1.624 HG :: 1.481 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 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 :: 114.376 Ave N Shift Values>> N :: 121.98(4.07) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 G 0.16 R 0.15 A 0.05 C Shift Assignments>> C :: 173.977 CA :: 52.770 CB :: 43.086 CG :: 25.695 CD1 :: 27.278 CD2 :: 23.628 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 :: 8.403 HA :: 4.707 HB2 :: 1.973 HB3 :: 1.440 HG :: 1.877 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 117.033 Ave N Shift Values>> N :: 121.98(4.07) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 G 0.03 C Shift Assignments>> CA :: 59.555 CB :: 42.124 CD1 :: 132.195 CD2 :: 132.195 CE1 :: 132.011 CE2 :: 132.011 CZ :: 130.422 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 :: 7.324 HA :: 4.398 HB2 :: 2.749 HB3 :: 2.900 HD1 :: 7.189 HD2 :: 7.189 HE1 :: 7.370 HE2 :: 7.370 HZ :: 7.324 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 :: 124.611 Ave N Shift Values>> N :: 120.69(4.18) ########################################################################### Overall Results: #Consistent: 62 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 67 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 67 #Suspicious: 0 C Shift Results: #Consistent: 331 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 518 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R31 HB3 = 0.794(S), Expected = 1.78, Std = 0.2800, ChiSquare = 4.2923e-04 1.V41 HG11 = -0.052(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.5417e-04 1.V41 HG12 = -0.052(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.5417e-04 1.V41 HG13 = -0.052(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.5417e-04 1.V41 HG21 = -0.494(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.9826e-06 1.V41 HG22 = -0.494(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.9826e-06 1.V41 HG23 = -0.494(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.9826e-06 1.I46 HB = 0.175(S), Expected = 1.80, Std = 0.3100, ChiSquare = 1.5890e-07 1.K56 H = 5.948(S), Expected = 8.22, Std = 0.6400, ChiSquare = 3.8523e-04 1.K56 HB3 = 0.397(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0421e-07 1.R57 HG2 = -0.184(S), Expected = 1.58, Std = 0.2700, ChiSquare = 6.4322e-11