Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.937 CA :: 58.751 CB :: 63.909 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.491 HB2 :: 3.917 HB3 :: 3.917 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.817 CA :: 45.283 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.383 HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.776 Ave N Shift Values>> N :: 109.91(4.29) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.149 CA :: 62.242 CB :: 32.845 CG1 :: 20.636 CG2 :: 21.140 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 :: 7.955 HA :: 4.110 HB :: 2.010 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 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 :: 119.861 Ave N Shift Values>> N :: 121.02(4.96) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.347 CA :: 62.012 CB :: 32.803 CG1 :: 21.175 CG2 :: 20.620 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 :: 8.266 HA :: 4.097 HB :: 2.008 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.295 Ave N Shift Values>> N :: 121.02(4.96) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 175.340 CA :: 50.349 CB :: 18.271 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.360 HA :: 4.568 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.856 Ave N Shift Values>> N :: 123.23(3.7) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.855 CA :: 62.857 CB :: 32.096 CG :: 27.344 CD :: 50.514 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 :: 4.418 HB2 :: 2.246 HB3 :: 1.847 HG2 :: 1.982 HG3 :: 1.982 HD2 :: 3.780 HD3 :: 3.618 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.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.748 CA :: 61.263 CB :: 38.761 CG1 :: 27.387 CG2 :: 17.715 CD1 :: 13.075 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 :: 8.251 HA :: 4.195 HB :: 1.844 HG12 :: 1.488 HG13 :: 1.193 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 120.967 Ave N Shift Values>> N :: 121.6(4.72) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.620 CA :: 61.507 CB :: 69.840 CG2 :: 21.277 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 :: 8.240 HA :: 4.433 HB :: 4.224 HG21 :: 1.208 HG22 :: 1.208 HG23 :: 1.208 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.940 Ave N Shift Values>> N :: 115.7(5.05) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.894 CA :: 61.876 CB :: 69.847 CG2 :: 21.499 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 :: 8.112 HA :: 4.315 HB :: 4.178 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 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 :: 115.931 Ave N Shift Values>> N :: 115.7(5.05) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.625 CA :: 45.279 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.330 HA2 :: 3.907 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.905 Ave N Shift Values>> N :: 109.91(4.29) 1.Y16 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>> C :: 175.522 CA :: 57.903 CB :: 39.050 CD1 :: 133.016 CD2 :: 133.016 CE1 :: 118.236 CE2 :: 118.236 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 :: 8.035 HA :: 4.600 HB2 :: 3.026 HB3 :: 2.963 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 6.791 HE2 :: 6.791 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 :: 120.144 Ave N Shift Values>> N :: 120.79(4.69) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.392 CA :: 60.919 CB :: 70.528 CG2 :: 21.894 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 :: 8.006 HA :: 4.374 HB :: 3.746 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.474 Ave N Shift Values>> N :: 115.7(5.05) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.267 CA :: 61.785 CB :: 32.969 CG1 :: 21.279 CG2 :: 21.239 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 :: 8.879 HA :: 3.954 HB :: 1.696 HG11 :: 0.974 HG12 :: 0.974 HG13 :: 0.974 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 127.089 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 0.4 C 0.35 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 177.384 CA :: 55.890 CB :: 32.689 CG :: 25.024 CD :: 29.221 CE :: 42.175 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 :: 8.531 HA :: 4.886 HB2 :: 1.797 HB3 :: 1.797 HG2 :: 1.543 HG3 :: 1.355 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 3.000 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 :: 127.374 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.062 CA :: 61.829 CB :: 39.115 CG1 :: 27.799 CG2 :: 18.599 CD1 :: 14.102 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 :: 8.796 HA :: 4.292 HB :: 1.904 HG12 :: 1.248 HG13 :: 1.840 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 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 :: 126.680 Ave N Shift Values>> N :: 121.6(4.72) 1.S21 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>> C :: 173.591 CA :: 58.650 CB :: 65.107 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.864 HA :: 4.815 HB2 :: 4.009 HB3 :: 3.854 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 :: 119.722 Ave N Shift Values>> N :: 116.3(3.95) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.26 C 0.12 L 0.11 F 0.07 Y 0.06 K 0.03 C Shift Assignments>> C :: 173.075 CA :: 53.168 CB :: 40.304 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 :: 5.029 HB2 :: 2.882 HB3 :: 2.794 HD21 :: 7.675 HD22 :: 6.994 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 :: 113.062 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 173.881 CA :: 56.555 CB :: 40.021 CD1 :: 133.333 CD2 :: 133.333 CE1 :: 117.803 CE2 :: 117.803 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 :: 7.704 HA :: 5.205 HB2 :: 3.068 HB3 :: 3.068 HD1 :: 6.794 HD2 :: 6.794 HE1 :: 6.759 HE2 :: 6.759 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.589 Ave N Shift Values>> N :: 120.79(4.69) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 G 0.21 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.300 CA :: 43.939 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.661 HA2 :: 4.862 HA3 :: 3.935 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.712 Ave N Shift Values>> N :: 109.91(4.29) 1.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.49 H 0.01 C Shift Assignments>> C :: 173.798 CA :: 56.397 CB :: 32.555 CD1 :: 126.353 CE3 :: 120.660 CZ2 :: 114.115 CZ3 :: 120.640 CH2 :: 123.315 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 :: 8.822 HA :: 6.242 HB2 :: 3.726 HB3 :: 3.342 HD1 :: 7.446 HE1 :: 10.558 HE3 :: 7.531 HZ2 :: 7.405 HZ3 :: 6.691 HH2 :: 6.791 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 :: 117.787 NE1 :: 130.637 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 R 0.13 C 0.11 K 0.1 N 0.04 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 173.906 CA :: 53.234 CB :: 42.554 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 :: 9.816 HA :: 4.164 HB2 :: 2.955 HB3 :: 2.783 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.769 Ave N Shift Values>> N :: 120.73(4.2) 1.Q27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.47 C 0.38 E 0.09 K 0.02 Q 0.02 C Shift Assignments>> C :: 172.827 CA :: 54.634 CB :: 33.969 CG :: 32.380 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.707 HA :: 5.451 HB2 :: 2.053 HB3 :: 2.374 HG2 :: 2.334 HG3 :: 2.046 HE21 :: 8.739(S) HE22 :: 8.197 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 :: 112.156 NE2 :: 117.196 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 S 0.44 C Shift Assignments>> C :: 174.484 CA :: 55.327 CB :: 67.597 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.709 HA :: 5.030 HB2 :: 4.542 HB3 :: 3.866 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 :: 117.733 Ave N Shift Values>> N :: 116.3(3.95) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.26 Y 0.25 C 0.18 I 0.08 L 0.07 D 0.06 K 0.04 N 0.01 C Shift Assignments>> C :: 176.951 CA :: 57.831 CB :: 39.943 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>> HA :: 4.421 HB2 :: 3.061 HB3 :: 2.673 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.33 K 0.2 G 0.01 C Shift Assignments>> C :: 175.722 CA :: 57.117 CB :: 36.600 CG :: 25.893 CD :: 29.299 CE :: 42.054 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 :: 7.747 HA :: 4.351 HB2 :: 1.547 HB3 :: 1.172 HG2 :: 1.306 HG3 :: 1.035 HD2 :: 1.537 HD3 :: 1.484 HE2 :: 2.929 HE3 :: 2.929 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 :: 113.708 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 G 0.31 C 0.29 C Shift Assignments>> C :: 175.139 CA :: 57.035 CB :: 44.039 CD1 :: 131.876 CD2 :: 131.876 CE1 :: 131.649 CE2 :: 131.649 CZ :: 130.228 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 :: 7.594 HA :: 5.380 HB2 :: 2.631 HB3 :: 2.499 HD1 :: 6.863 HD2 :: 6.863 HE1 :: 7.269 HE2 :: 7.269 HZ :: 7.343 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 :: 115.214 Ave N Shift Values>> N :: 120.69(4.18) 1.V32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 173.871 CA :: 63.504 CB :: 33.200 CG1 :: 21.659 CG2 :: 20.259 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 :: 9.290 HA :: 4.142 HB :: 1.332 HG11 :: 0.652 HG12 :: 0.652 HG13 :: 0.652 HG21 :: -0.568(S) HG22 :: -0.568(S) HG23 :: -0.568(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 :: 122.577 Ave N Shift Values>> N :: 121.02(4.96) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.25 M 0.02 C Shift Assignments>> C :: 173.911 CA :: 55.044 CB :: 34.191 CG :: 25.740 CD :: 29.710 CE :: 42.016 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 :: 9.142 HA :: 5.127 HB2 :: 1.742 HB3 :: 1.271 HG2 :: 1.120 HG3 :: 0.982 HD2 :: 1.562 HD3 :: 1.523 HE2 :: 2.717 HE3 :: 2.609 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 :: 128.141 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.24 V 0.04 C Shift Assignments>> C :: 174.361 CA :: 60.490 CB :: 39.744 CG1 :: 29.902 CG2 :: 20.331 CD1 :: 16.467 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 :: 8.974 HA :: 4.978 HB :: 1.593 HG12 :: 1.355 HG13 :: 1.226 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 123.472 Ave N Shift Values>> N :: 121.6(4.72) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 175.773 CA :: 56.361 CB :: 39.773 CD1 :: 133.400 CD2 :: 133.400 CE1 :: 117.918 CE2 :: 117.918 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 :: 9.113 HA :: 4.940 HB2 :: 2.803 HB3 :: 2.731 HD1 :: 6.832 HD2 :: 6.832 HE1 :: 6.618 HE2 :: 6.618 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 :: 124.804 Ave N Shift Values>> N :: 120.79(4.69) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.43 C Shift Assignments>> C :: 175.255 CA :: 60.609 CB :: 41.132 CG1 :: 28.816 CG2 :: 19.103 CD1 :: 16.330 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 :: 9.179 HA :: 4.536 HB :: 1.920 HG12 :: 1.488 HG13 :: 1.141 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 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 :: 126.043 Ave N Shift Values>> N :: 121.6(4.72) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.673 CA :: 62.992 CB :: 69.364 CG2 :: 21.105 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 :: 8.855 HA :: 4.785 HB :: 4.006 HG21 :: 1.259 HG22 :: 1.259 HG23 :: 1.259 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 :: 125.710 Ave N Shift Values>> N :: 115.7(5.05) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.28 C 0.17 R 0.01 A 0.01 C Shift Assignments>> C :: 174.275 CA :: 53.781 CB :: 44.345 CG :: 26.403 CD1 :: 24.856 CD2 :: 23.980 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 :: 8.173 HA :: 4.395 HB2 :: 1.148 HB3 :: 1.068 HG :: 1.055 HD11 :: 0.293 HD12 :: 0.293 HD13 :: 0.293 HD21 :: 0.277 HD22 :: 0.277 HD23 :: 0.277 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 :: 131.127 Ave N Shift Values>> N :: 121.98(4.07) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.V51 1.V51 C Shift Assignments>> C :: 175.957 CA :: 65.212 CB :: 68.748 CG2 :: 21.892 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 :: 8.503 HA :: 3.808 HB :: 3.871 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 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 :: 123.231 Ave N Shift Values>> N :: 115.7(5.05) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 177.370 CA :: 45.748 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.010 HA2 :: 4.211 HA3 :: 3.562 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.840 Ave N Shift Values>> N :: 109.91(4.29) 1.V41 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>> C :: 173.659 CA :: 64.770 CB :: 31.164 CG1 :: 22.818 CG2 :: 20.389 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 :: 8.136 HA :: 3.773 HB :: 2.049 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 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 :: 121.139 Ave N Shift Values>> N :: 121.02(4.96) 1.H42 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 H 0.33 W 0.28 C Shift Assignments>> C :: 175.696 CA :: 57.409 CB :: 29.040 CD2 :: 118.856 CE1 :: 140.963(A) 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 :: 8.769 HA :: 4.422 HB2 :: 3.224 HB3 :: 3.002 HD2 :: 7.084 HE1 :: 8.213 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.316 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.09 R 0.06 M 0.06 C Shift Assignments>> C :: 176.510 CA :: 55.529 CB :: 29.016 CG :: 33.669 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 :: 7.530 HA :: 4.334 HB2 :: 2.115 HB3 :: 1.839 HG2 :: 1.860 HG3 :: 1.368 HE21 :: 7.269 HE22 :: 6.825 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.096 NE2 :: 110.854 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 C Shift Assignments>> C :: 174.002 CA :: 59.360 CB :: 31.414 CG1 :: 22.695 CG2 :: 20.191 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 :: 6.958 HA :: 4.614 HB :: 2.361 HG11 :: 1.051 HG12 :: 1.051 HG13 :: 1.051 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.559 Ave N Shift Values>> N :: 121.02(4.96) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 178.073 CA :: 63.605 CB :: 32.286 CG :: 28.092 CD :: 50.850 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 :: 4.439 HB2 :: 2.464 HB3 :: 1.784 HG2 :: 2.083 HG3 :: 2.028 HD2 :: 3.926 HD3 :: 3.691 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.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.Q113 1.Q113 C Shift Assignments>> C :: 176.969 CA :: 66.093 CB :: 68.902 CG2 :: 21.975 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 :: 8.545 HA :: 3.951 HB :: 4.198 HG21 :: 1.378 HG22 :: 1.378 HG23 :: 1.378 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 :: 118.687 Ave N Shift Values>> N :: 115.7(5.05) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.28 K 0.14 I 0.12 Q 0.08 M 0.01 C Shift Assignments>> C :: 176.675 CA :: 58.316 CB :: 28.352 CG :: 35.803 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 :: 9.387 HA :: 4.198 HB2 :: 2.068 HB3 :: 2.068 HG2 :: 2.304 HG3 :: 2.304 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 :: 119.283 Ave N Shift Values>> N :: 120.68(3.68) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.21 D 0.1 Y 0.09 F 0.06 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 173.796 CA :: 53.521 CB :: 37.883 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 :: 8.366 HA :: 4.585 HB2 :: 3.527 HB3 :: 3.056 HD21 :: 7.298 HD22 :: 7.194 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 :: 119.423 ND2 :: 110.025 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 174.160 CA :: 62.343 CB :: 31.337 CG1 :: 21.504 CG2 :: 20.848 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 :: 7.649 HA :: 4.469 HB :: 2.241 HG11 :: 0.646 HG12 :: 0.646 HG13 :: 0.646 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 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 :: 121.493 Ave N Shift Values>> N :: 121.02(4.96) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.29 Q 0.19 K 0.08 E 0.04 R 0.01 C Shift Assignments>> C :: 174.838 CA :: 54.302 CB :: 31.422 CG :: 33.126 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.056 HA :: 4.658 HB2 :: 2.009 HB3 :: 1.953 HG2 :: 2.252 HG3 :: 2.252 HE21 :: 7.582 HE22 :: 6.838 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 :: 124.950 NE2 :: 111.104 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 HN Overlap>> 1.T39 1.T39 C Shift Assignments>> C :: 173.581 CA :: 59.703 CB :: 34.986 CG1 :: 21.788 CG2 :: 22.600 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 :: 8.547 HA :: 5.154 HB :: 1.519 HG11 :: 0.304 HG12 :: 0.304 HG13 :: 0.304 HG21 :: 0.557 HG22 :: 0.557 HG23 :: 0.557 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 :: 123.137 Ave N Shift Values>> N :: 121.02(4.96) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.32 C 0.29 C Shift Assignments>> C :: 173.550 CA :: 54.450 CB :: 31.879 CD2 :: 120.180 CE1 :: 136.843 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 :: 8.514 HA :: 4.904 HB2 :: 3.227 HB3 :: 3.080 HD2 :: 7.182 HE1 :: 8.107 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 :: 125.623 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 C 0.33 G 0.21 C Shift Assignments>> C :: 176.013 CA :: 57.916 CB :: 43.661 CD1 :: 132.530 CD2 :: 132.530 CE1 :: 130.940 CE2 :: 130.940 CZ :: 130.407 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 :: 8.927 HA :: 5.381 HB2 :: 3.359 HB3 :: 2.806 HD1 :: 7.322 HD2 :: 7.322 HE1 :: 6.994 HE2 :: 6.994 HZ :: 6.975 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 :: 122.749 Ave N Shift Values>> N :: 120.69(4.18) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.329 CA :: 61.343 CB :: 71.809 CG2 :: 20.759 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 :: 8.934 HA :: 4.569 HB :: 4.570 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 111.963 Ave N Shift Values>> N :: 115.7(5.05) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.28 I 0.27 M 0.02 K 0.01 C Shift Assignments>> C :: 176.149 CA :: 59.317 CB :: 30.439 CG :: 37.768 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 :: 8.545 HA :: 4.410 HB2 :: 2.231 HB3 :: 2.231 HG2 :: 2.608 HG3 :: 2.608 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 :: 114.318 Ave N Shift Values>> N :: 120.68(3.68) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.3 K 0.19 G 0.09 C Shift Assignments>> C :: 174.598 CA :: 53.114 CB :: 33.189 CG :: 27.213 CD :: 43.052 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 :: 7.664 HA :: 4.867 HB2 :: 2.259 HB3 :: 1.641 HG2 :: 1.461 HG3 :: 1.727 HD2 :: 3.104 HD3 :: 3.104 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 111.847 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.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.03 C Shift Assignments>> C :: 172.268 CA :: 58.035 CB :: 68.544 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.779 HA :: 5.333 HB2 :: 4.026 HB3 :: 3.911 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.052 Ave N Shift Values>> N :: 116.3(3.95) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.28 G 0.16 C Shift Assignments>> C :: 171.980 CA :: 57.170 CB :: 43.572 CD1 :: 131.889 CD2 :: 131.889 CE1 :: 130.320 CE2 :: 130.320 CZ :: 128.761 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 :: 8.120 HA :: 5.376 HB2 :: 2.999 HB3 :: 2.534 HD1 :: 6.843 HD2 :: 6.843 HE1 :: 6.863 HE2 :: 6.863 HZ :: 6.791 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 :: 111.381 Ave N Shift Values>> N :: 120.69(4.18) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.25 R 0.13 C 0.12 D 0.07 F 0.01 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.888 CA :: 52.941 CB :: 44.166 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 :: 8.351 HA :: 5.075 HB2 :: 2.588 HB3 :: 2.538 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.465 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>> G 0.59 C 0.23 L 0.13 R 0.02 C Shift Assignments>> C :: 174.600 CA :: 53.352 CB :: 45.667 CG :: 27.980 CD1 :: 24.494 CD2 :: 26.875 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.248 HA :: 5.251 HB2 :: 2.037 HB3 :: 1.303 HG :: 1.389 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 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 :: 125.120 Ave N Shift Values>> N :: 121.98(4.07) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.25 L 0.19 A 0.06 R 0.02 C Shift Assignments>> C :: 174.695 CA :: 54.145 CB :: 45.756 CG :: 27.964 CD1 :: 26.075 CD2 :: 22.709 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.326 HA :: 5.297 HB2 :: 1.762 HB3 :: 1.535 HG :: 1.336 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 130.882 Ave N Shift Values>> N :: 121.98(4.07) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.N66 1.N66 C Shift Assignments>> C :: 175.302 CA :: 61.004 CB :: 33.832 CG1 :: 21.934 CG2 :: 20.447 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 :: 9.358 HA :: 5.001 HB :: 2.157 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.293 Ave N Shift Values>> N :: 121.02(4.96) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 C Shift Assignments>> C :: 175.267 CA :: 55.621 CB :: 34.554 CG :: 25.100 CD :: 29.607 CE :: 41.842 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 :: 8.955 HA :: 4.572 HB2 :: 1.687 HB3 :: 1.534 HG2 :: 1.420 HG3 :: 1.295 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.869 HE3 :: 2.869 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.229 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.26 E 0.11 Y 0.1 F 0.05 M 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 173.292 CA :: 53.996 CB :: 37.120 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 :: 7.917 HA :: 3.949 HB2 :: 2.967 HB3 :: 2.534 HD21 :: 7.493 HD22 :: 6.821 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 :: 117.635 ND2 :: 111.776 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.26 R 0.12 A 0.03 G 0.01 C Shift Assignments>> C :: 175.589 CA :: 53.595 CB :: 42.036 CG :: 27.491 CD1 :: 23.492 CD2 :: 26.150 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.026 HA :: 4.579 HB2 :: 2.047 HB3 :: 1.060 HG :: 1.534 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 HD21 :: 0.566 HD22 :: 0.566 HD23 :: 0.566 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.822 Ave N Shift Values>> N :: 121.98(4.07) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.23 Y 0.12 D 0.08 F 0.08 E 0.07 M 0.02 L 0.01 I 0.01 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> C :: 175.471 CA :: 54.301 CB :: 37.794 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 :: 9.453 HA :: 4.344 HB2 :: 3.033 HB3 :: 2.796 HD21 :: 7.549 HD22 :: 6.948 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 :: 126.314 ND2 :: 113.496 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.893 CA :: 45.621 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.087 HA2 :: 4.147 HA3 :: 3.691 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.453 Ave N Shift Values>> N :: 109.91(4.29) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.27 K 0.26 G 0.02 M 0.01 C Shift Assignments>> C :: 174.344 CA :: 54.834 CB :: 36.332 CG :: 25.112 CD :: 29.236 CE :: 42.350 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 :: 7.589 HA :: 4.709 HB2 :: 1.627 HB3 :: 1.403 HG2 :: 1.330 HG3 :: 1.282 HD2 :: 1.644 HD3 :: 1.582 HE2 :: 2.964 HE3 :: 2.964 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 :: 119.639 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.375 CA :: 57.176 CB :: 65.525 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.113 HA :: 5.657 HB2 :: 3.815 HB3 :: 3.708 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 :: 114.540 Ave N Shift Values>> N :: 116.3(3.95) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.36 G 0.05 C Shift Assignments>> C :: 174.832 CA :: 56.878 CB :: 42.745 CD1 :: 133.080 CD2 :: 133.080 CE1 :: 117.866 CE2 :: 117.866 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 :: 9.315 HA :: 5.567 HB2 :: 2.870 HB3 :: 2.602 HD1 :: 6.897 HD2 :: 6.897 HE1 :: 6.826 HE2 :: 6.826 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 :: 121.117 Ave N Shift Values>> N :: 120.79(4.69) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 173.286 CA :: 55.740 CB :: 66.644 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.960 HA :: 5.554 HB2 :: 3.766 HB3 :: 3.429 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 :: 114.748 Ave N Shift Values>> N :: 116.3(3.95) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.17 A 0.15 I 0.07 C Shift Assignments>> C :: 172.935 CA :: 56.514 CB :: 37.932 CG :: 32.253 CE :: 18.077 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 :: 8.669 HA :: 4.667 HB2 :: 2.054 HB3 :: 2.054 HG2 :: 2.557 HG3 :: 2.123 HE1 :: 1.568 HE2 :: 1.568 HE3 :: 1.568 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.621 Ave N Shift Values>> N :: 120.1(3.88) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.33 C Shift Assignments>> C :: 175.091 CA :: 60.383 CB :: 41.064 CG1 :: 27.858 CG2 :: 16.849 CD1 :: 14.186 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 :: 8.362 HA :: 4.527 HB :: 1.577 HG12 :: 1.462 HG13 :: 0.870 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.996 Ave N Shift Values>> N :: 121.6(4.72) 1.V74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 173.401 CA :: 61.890 CB :: 32.276 CG1 :: 21.544 CG2 :: 22.340 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 :: 7.912 HA :: 3.949 HB :: 0.703(S) HG11 :: 0.532 HG12 :: 0.532 HG13 :: 0.532 HG21 :: 0.327 HG22 :: 0.327 HG23 :: 0.327 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.592 Ave N Shift Values>> N :: 121.02(4.96) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 C 0.14 L 0.13 K 0.04 F 0.03 Y 0.02 R 0.01 C Shift Assignments>> C :: 174.337 CA :: 51.102 CB :: 41.185 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 :: 8.075 HA :: 4.890 HB2 :: 2.608 HB3 :: 2.608 HD21 :: 7.430 HD22 :: 6.677 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.515 ND2 :: 111.698 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.25 Y 0.09 E 0.08 D 0.06 F 0.05 M 0.04 K 0.01 C Shift Assignments>> C :: 174.827 CA :: 53.833 CB :: 37.314 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 :: 8.436 HA :: 4.330 HB2 :: 2.861 HB3 :: 2.762 HD21 :: 7.439 HD22 :: 6.841 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 :: 114.424 ND2 :: 113.371 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.3 R 0.27 K 0.02 G 0.02 A 0.01 C Shift Assignments>> C :: 178.072 CA :: 56.093 CB :: 42.495 CG :: 27.757 CD1 :: 27.183 CD2 :: 23.340 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 :: 8.354 HA :: 4.343 HB2 :: 1.932 HB3 :: 1.564 HG :: 1.574 HD11 :: 1.078 HD12 :: 1.078 HD13 :: 1.078 HD21 :: 1.001 HD22 :: 1.001 HD23 :: 1.001 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 :: 117.822 Ave N Shift Values>> N :: 121.98(4.07) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 R 0.11 G 0.07 C Shift Assignments>> C :: 175.862 CA :: 58.815 CB :: 43.003 CG :: 26.374 CD1 :: 24.011 CD2 :: 26.359 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 :: 8.124 HA :: 3.383 HB2 :: 0.931 HB3 :: 0.737 HG :: 1.212 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 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 :: 122.036 Ave N Shift Values>> N :: 121.98(4.07) 1.K79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.38 C 0.38 G 0.11 R 0.09 M 0.01 C Shift Assignments>> C :: 171.371 CA :: 51.338 CB :: 34.001 CG :: 24.720 CD :: 28.581 CE :: 42.650 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 :: 5.704(S) HA :: 4.389 HB2 :: 1.741 HB3 :: 0.812(S) HG2 :: 0.640 HG3 :: 0.330(S) HD2 :: 1.459 HD3 :: 1.114 HE2 :: 2.805 HE3 :: 2.584 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 :: 111.642 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 177.200 CA :: 62.315 CB :: 32.924 CG :: 28.137 CD :: 49.841 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 :: 4.839 HB2 :: 2.275 HB3 :: 1.759 HG2 :: 1.900 HG3 :: 2.001 HD2 :: 3.462 HD3 :: 3.670 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.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.47 A 0.01 C Shift Assignments>> C :: 175.584 CA :: 59.277 CB :: 41.412 CG1 :: 25.901 CG2 :: 18.505 CD1 :: 14.972 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 :: 9.205 HA :: 4.996 HB :: 1.776 HG12 :: 1.286 HG13 :: 1.209 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 HD11 :: 1.050 HD12 :: 1.050 HD13 :: 1.050 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 :: 116.752 Ave N Shift Values>> N :: 121.6(4.72) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.969 CA :: 55.290 CB :: 63.359 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.710 HA :: 4.655 HB2 :: 3.528 HB3 :: 3.462 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 :: 113.322 Ave N Shift Values>> N :: 116.3(3.95) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 178.637 CA :: 67.537 CB :: 31.745 CG1 :: 20.967 CG2 :: 22.215 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 :: 9.040 HA :: 3.108 HB :: 2.053 HG11 :: 0.979 HG12 :: 0.979 HG13 :: 0.979 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 133.064 Ave N Shift Values>> N :: 121.02(4.96) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.19 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.296 CA :: 58.742 CB :: 28.727 CG :: 36.349 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 :: 8.990 HA :: 4.132 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 2.340 HG3 :: 2.293 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 :: 118.115 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 0.65 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 174.622 CA :: 44.926 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.683 HA2 :: 4.299 HA3 :: 3.526 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.000 Ave N Shift Values>> N :: 109.91(4.29) 1.S86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.732 CA :: 59.941 CB :: 62.020 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.214 HA :: 4.792 HB2 :: 2.882(S) HB3 :: 2.586(S) 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 :: 120.503 Ave N Shift Values>> N :: 116.3(3.95) 1.S87 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>> C :: 171.685 CA :: 58.356 CB :: 65.063 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.263 HA :: 4.818 HB2 :: 3.975 HB3 :: 3.840 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 :: 117.154 Ave N Shift Values>> N :: 116.3(3.95) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.19 R 0.15 G 0.07 M 0.05 A 0.02 C Shift Assignments>> C :: 174.630 CA :: 53.555 CB :: 36.005 CG :: 23.900 CD :: 29.837 CE :: 42.825 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 :: 8.402 HA :: 5.551 HB2 :: 1.686 HB3 :: 1.686 HG2 :: 1.335 HG3 :: 1.335 HD2 :: 1.453 HD3 :: 1.410 HE2 :: 2.937 HE3 :: 2.888 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 :: 115.093 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.26 K 0.25 G 0.01 C Shift Assignments>> C :: 173.868 CA :: 55.287 CB :: 36.711 CG :: 25.108 CD :: 29.178 CE :: 42.111 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 :: 9.431 HA :: 4.616 HB2 :: 1.740 HB3 :: 1.584 HG2 :: 1.300 HG3 :: 1.300 HD2 :: 1.645 HD3 :: 1.585 HE2 :: 2.850 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 :: 121.521 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.28 C Shift Assignments>> C :: 175.671 CA :: 62.089 CB :: 33.369 CG1 :: 22.338 CG2 :: 21.881 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 :: 8.677 HA :: 4.740 HB :: 2.048 HG11 :: 1.055 HG12 :: 1.055 HG13 :: 1.055 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 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 :: 123.264 Ave N Shift Values>> N :: 121.02(4.96) 1.K91 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 M 0.02 C Shift Assignments>> C :: 175.288 CA :: 54.087 CB :: 35.288 CG :: 24.706 CD :: 29.294 CE :: 41.842 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 :: 9.048 HA :: 4.713 HB2 :: 2.020 HB3 :: 1.474 HG2 :: 1.317 HG3 :: 1.220 HD2 :: 1.630 HD3 :: 1.584 HE2 :: 2.894 HE3 :: 2.853 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 :: 128.040 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.430 CA :: 65.308 CB :: 68.084 CG2 :: 21.552 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 :: 7.936 HA :: 2.789(S) HB :: 3.706 HG21 :: 0.680 HG22 :: 0.680 HG23 :: 0.680 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 :: 116.096 Ave N Shift Values>> N :: 115.7(5.05) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.17 Y 0.16 C 0.14 L 0.14 D 0.1 R 0.03 I 0.03 N 0.01 C Shift Assignments>> C :: 174.262 CA :: 57.231 CB :: 41.012 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 :: 9.815 HA :: 4.807 HB2 :: 3.070 HB3 :: 2.891 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 :: 128.322 Ave N Shift Values>> N :: 120.73(4.2) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 172.464 CA :: 62.451 CB :: 73.814 CG2 :: 20.097 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 :: 8.047 HA :: 5.412 HB :: 3.467 HG21 :: 1.082 HG22 :: 1.082 HG23 :: 1.082 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 :: 115.207 Ave N Shift Values>> N :: 115.7(5.05) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 172.918 CA :: 62.102 CB :: 33.681 CG1 :: 21.388 CG2 :: 23.105 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 :: 9.278 HA :: 4.414 HB :: 1.901 HG11 :: 0.715 HG12 :: 0.715 HG13 :: 0.715 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.465 Ave N Shift Values>> N :: 121.02(4.96) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.23 C 0.2 R 0.14 A 0.01 C Shift Assignments>> C :: 174.960 CA :: 53.087 CB :: 43.968 CG :: 27.926 CD1 :: 26.338 CD2 :: 23.940 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.029 HA :: 5.184 HB2 :: 1.459 HB3 :: 1.206 HG :: 1.234 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 HD21 :: 0.428 HD22 :: 0.428 HD23 :: 0.428 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 :: 129.282 Ave N Shift Values>> N :: 121.98(4.07) 1.I97 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>> C :: 173.951 CA :: 60.076 CB :: 37.692 CG1 :: 26.778 CG2 :: 17.791 CD1 :: 13.012 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 :: 9.268 HA :: 4.191 HB :: 1.535 HG12 :: 0.991 HG13 :: 0.871 HG21 :: 0.333 HG22 :: 0.333 HG23 :: 0.333 HD11 :: 0.390 HD12 :: 0.390 HD13 :: 0.390 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 :: 125.639 Ave N Shift Values>> N :: 121.6(4.72) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.23 R 0.03 C Shift Assignments>> C :: 175.246 CA :: 53.555 CB :: 41.669 CG :: 27.180 CD1 :: 25.073 CD2 :: 24.468 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 :: 8.803 HA :: 4.614 HB2 :: 1.607 HB3 :: 0.914 HG :: 1.088 HD11 :: 0.399 HD12 :: 0.399 HD13 :: 0.399 HD21 :: 0.269 HD22 :: 0.269 HD23 :: 0.269 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.540 Ave N Shift Values>> N :: 121.98(4.07) 1.C99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 Q 0.14 K 0.13 C 0.11 H 0.1 L 0.09 W 0.09 E 0.08 I 0.04 M 0.01 C Shift Assignments>> C :: 174.355 CA :: 57.012 CB :: 27.846 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.041 HA :: 4.439 HB2 :: 3.036 HB3 :: 2.519 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 :: 120.534 Ave N Shift Values>> N :: 119.95(4.79) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.27 K 0.19 L 0.09 G 0.03 C Shift Assignments>> C :: 175.081 CA :: 54.781 CB :: 29.448 CG :: 26.620 CD :: 42.848 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 :: 8.818 HA :: 3.856 HB2 :: 1.866 HB3 :: 1.344 HG2 :: 1.377 HG3 :: 1.152 HD2 :: 2.733 HD3 :: 2.585 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 :: 128.916 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.K101 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.4 K 0.15 G 0.01 M 0.01 C Shift Assignments>> C :: 176.287 CA :: 58.649 CB :: 33.723 CG :: 27.209 CD :: 30.295 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 :: 8.484 HA :: 3.753 HB2 :: 2.019 HB3 :: 1.274 HG2 :: 1.082 HG3 :: 0.933 HD2 :: 1.770 HD3 :: 1.456 HE2 :: 2.464 HE3 :: 1.972(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.084 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 176.724 CA :: 59.742 CB :: 32.906 CG :: 25.605 CD :: 29.699 CE :: 42.189 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 :: 7.990 HA :: 3.885 HB2 :: 1.761 HB3 :: 1.312 HG2 :: 1.344 HG3 :: 1.344 HD2 :: 1.673 HD3 :: 1.561 HE2 :: 2.967 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 :: 124.065 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.790 CA :: 61.682 CB :: 31.545 CG1 :: 21.296 CG2 :: 21.256 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 :: 7.928 HA :: 4.115 HB :: 1.919 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 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 :: 118.029 Ave N Shift Values>> N :: 121.02(4.96) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.07 K 0.07 I 0.06 Q 0.02 C Shift Assignments>> C :: 176.515 CA :: 56.622 CB :: 30.059 CG :: 36.602 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 :: 8.567 HA :: 4.109 HB2 :: 1.965 HB3 :: 1.842 HG2 :: 2.295 HG3 :: 2.217 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 :: 126.083 Ave N Shift Values>> N :: 120.68(3.68) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.2 N 0.14 Y 0.11 M 0.08 F 0.05 K 0.03 D 0.02 I 0.01 C Shift Assignments>> C :: 174.517 CA :: 55.078 CB :: 36.642 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 :: 9.268 HA :: 4.284 HB2 :: 3.075 HB3 :: 3.016 HD21 :: 7.446 HD22 :: 6.814 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 :: 112.958 ND2 :: 112.449 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.706 CA :: 61.298 CB :: 70.822 CG2 :: 21.231 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 :: 7.069 HA :: 4.432 HB :: 4.118 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 112.325 Ave N Shift Values>> N :: 115.7(5.05) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 C 0.34 K 0.18 G 0.04 C Shift Assignments>> C :: 176.449 CA :: 56.311 CB :: 30.709 CG :: 27.761 CD :: 43.114 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.177 HA :: 4.263 HB2 :: 1.819 HB3 :: 1.726 HG2 :: 1.514 HG3 :: 1.355 HD2 :: 3.144 HD3 :: 3.144 HE :: 7.647 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.W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 W 0.26 C Shift Assignments>> C :: 176.974 CA :: 56.644 CB :: 28.819 CD1 :: 122.173 CE3 :: 122.782 CZ2 :: 114.446 CZ3 :: 121.779 CH2 :: 125.665 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 10.196 HA :: 4.828 HB2 :: 3.259 HB3 :: 3.710 HD1 :: 7.181 HE1 :: 10.683 HE3 :: 7.892 HZ2 :: 6.941 HZ3 :: 7.447 HH2 :: 7.206 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 :: 130.754 NE1 :: 127.578 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 L 0.17 K 0.14 F 0.14 C 0.12 Y 0.12 N 0.04 R 0.03 I 0.01 C Shift Assignments>> C :: 174.391 CA :: 55.873 CB :: 40.937 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 :: 9.223 HA :: 4.458 HB2 :: 2.369 HB3 :: 2.369 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 :: 122.891 Ave N Shift Values>> N :: 120.73(4.2) 1.Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Y 0.39 G 0.18 C Shift Assignments>> C :: 172.941 CA :: 55.888 CB :: 43.347 CD1 :: 133.750 CD2 :: 133.750 CE1 :: 118.341 CE2 :: 118.341 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 :: 7.584 HA :: 4.901 HB2 :: 3.403 HB3 :: 2.507 HD1 :: 7.123 HD2 :: 7.123 HE1 :: 6.882 HE2 :: 6.882 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 :: 114.589 Ave N Shift Values>> N :: 120.79(4.69) 1.L111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.54 C 0.37 R 0.06 C Shift Assignments>> C :: 177.528 CA :: 57.155 CB :: 41.566 CG :: 26.500 CD1 :: 23.568 CD2 :: 26.033 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 :: 8.537 HA :: 3.903 HB2 :: 1.577 HB3 :: -0.182(S) HG :: 1.340 HD11 :: 0.454 HD12 :: 0.454 HD13 :: 0.454 HD21 :: 0.597 HD22 :: 0.597 HD23 :: 0.597 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 :: 119.528 Ave N Shift Values>> N :: 121.98(4.07) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 T 0.3 A 0.04 C Shift Assignments>> C :: 174.486 CA :: 58.228 CB :: 73.174 CG2 :: 21.929 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 :: 7.105 HA :: 4.918 HB :: 4.366 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 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 :: 100.889 Ave N Shift Values>> N :: 115.7(5.05) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.24 E 0.09 R 0.07 M 0.06 HN Overlap>> 1.T46 1.T46 C Shift Assignments>> C :: 177.024 CA :: 57.570 CB :: 29.157 CG :: 33.437 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.561 HA :: 3.920 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 2.292 HG3 :: 2.292 HE21 :: 7.570 HE22 :: 6.797 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.700 NE2 :: 111.729 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.341 CA :: 64.587 CB :: 32.347 CG1 :: 22.038 CG2 :: 21.025 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 :: 7.332 HA :: 3.811 HB :: 1.952 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 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 :: 118.009 Ave N Shift Values>> N :: 121.02(4.96) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 I 0.14 M 0.06 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.534 CA :: 58.621 CB :: 30.512 CG :: 36.833 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 :: 7.864 HA :: 4.007 HB2 :: 2.125 HB3 :: 2.125 HG2 :: 2.423 HG3 :: 2.321 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 :: 122.380 Ave N Shift Values>> N :: 120.68(3.68) 1.K116 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.16 M 0.04 G 0.01 C Shift Assignments>> C :: 177.194 CA :: 58.388 CB :: 32.931 CG :: 24.384 CD :: 29.988 CE :: 42.324 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 :: 7.289 HA :: 2.863 HB2 :: 1.756 HB3 :: 1.331 HG2 :: 1.215 HG3 :: 1.104 HD2 :: 1.680 HD3 :: 1.599 HE2 :: 3.048 HE3 :: 2.993 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 :: 119.755 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.14 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.273 CA :: 58.228 CB :: 29.715 CG :: 36.638 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 :: 7.999 HA :: 4.005 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.380 HG3 :: 2.214 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 :: 117.822 Ave N Shift Values>> N :: 120.68(3.68) 1.C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 P 0.17 C 0.13 R 0.08 W 0.06 K 0.03 Q 0.02 E 0.02 H 0.02 L 0.01 C Shift Assignments>> C :: 176.353 CA :: 61.211 CB :: 27.239 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.109 HA :: 4.263 HB2 :: 2.997 HB3 :: 2.945 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 :: 117.914 Ave N Shift Values>> N :: 119.95(4.79) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.23 M 0.02 G 0.01 C Shift Assignments>> C :: 177.995 CA :: 57.582 CB :: 32.676 CG :: 25.399 CD :: 29.121 CE :: 42.474 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 :: 8.086 HA :: 4.255 HB2 :: 1.959 HB3 :: 1.848 HG2 :: 1.588 HG3 :: 1.588 HD2 :: 1.821 HE2 :: 3.102 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 :: 120.904 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.09 K 0.07 M 0.05 Q 0.02 C Shift Assignments>> C :: 176.902 CA :: 57.294 CB :: 29.745 CG :: 36.638 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 :: 8.214 HA :: 4.249 HB2 :: 2.055 HB3 :: 1.964 HG2 :: 2.436 HG3 :: 2.262 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 :: 119.387 Ave N Shift Values>> N :: 120.68(3.68) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 176.715 CA :: 56.703 CB :: 32.697 CG :: 24.880 CD :: 29.236 CE :: 42.247 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 :: 7.956 HA :: 4.343 HB2 :: 1.905 HB3 :: 1.859 HG2 :: 1.494 HG3 :: 1.465 HD2 :: 1.692 HD3 :: 1.953 HE2 :: 3.019 HE3 :: 3.019 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 :: 120.558 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.639 CA :: 58.577 CB :: 64.124 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.179 HA :: 4.518 HB2 :: 3.922 HB3 :: 3.922 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.193 Ave N Shift Values>> N :: 116.3(3.95) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.807 CA :: 44.765 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.215 HA2 :: 4.183 HA3 :: 4.119 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.570 Ave N Shift Values>> N :: 109.91(4.29) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.451 CA :: 63.320 CB :: 32.228 CG :: 27.172 CD :: 49.850 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 :: 4.488 HB2 :: 2.302 HB3 :: 1.987 HG2 :: 2.028 HG3 :: 2.028 HD2 :: 3.646 HD3 :: 3.646 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.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.717 CA :: 58.420 CB :: 63.894 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.532 HA :: 4.517 HB2 :: 3.915 HB3 :: 3.915 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.361 Ave N Shift Values>> N :: 116.3(3.95) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.955 CA :: 58.424 CB :: 64.139 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.513 HB2 :: 3.925 HB3 :: 3.925 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) 1.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.044 CA :: 46.258 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.060 HA2 :: 3.797 HA3 :: 3.758 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.898 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 2 C Shift Results: #Consistent: 564 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 877 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 126 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q27 HE21 = 8.739(S), Expected = 7.17, Std = 0.4600, ChiSquare = 6.4756e-04 1.V32 HG21 = -0.568(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.4306e-06 1.V32 HG22 = -0.568(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.4306e-06 1.V32 HG23 = -0.568(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.4306e-06 1.H42 CE1 = 140.963(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.6996e-01 1.V74 HB = 0.703(S), Expected = 1.99, Std = 0.3300, ChiSquare = 9.6193e-05 1.K79 H = 5.704(S), Expected = 8.22, Std = 0.6400, ChiSquare = 8.4505e-05 1.K79 HB3 = 0.812(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.9681e-04 1.K79 HG3 = 0.330(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.3552e-04 1.S86 HB2 = 2.882(S), Expected = 3.88, Std = 0.2900, ChiSquare = 5.7876e-04 1.S86 HB3 = 2.586(S), Expected = 3.87, Std = 0.3100, ChiSquare = 3.4439e-05 1.T92 HA = 2.789(S), Expected = 4.48, Std = 0.5000, ChiSquare = 7.1960e-04 1.K101 HE3 = 1.972(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.6678e-06 1.K101 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.L111 HB3 = -0.182(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.1350e-06 1.K116 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K116 SRO Rule Break>> HA > HE3 : 0.993548387096774