Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.47 K 0.23 Q 0.15 M 0.1 I 0.02 C Shift Assignments>> CA :: 54.055 CB :: 29.311 CG :: 35.874 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>> HA :: 4.579 HB2 :: 1.867 HB3 :: 2.058 HG2 :: 2.284 HG3 :: 2.283 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) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.577 CA :: 63.574 CB :: 31.814 CG :: 27.140 CD :: 50.449 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 :: 4.350 HB2 :: 1.903 HB3 :: 2.241 HG2 :: 1.945 HG3 :: 2.032 HD2 :: 3.711 HD3 :: 3.796 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.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 174.040 CA :: 45.259 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.657 HA2 :: 3.937 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 :: 108.723 Ave N Shift Values>> N :: 109.91(4.29) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 176.045 CA :: 62.624 CB :: 32.115 CG1 :: 20.886 CG2 :: 20.886 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 :: 7.813 HA :: 3.949 HB :: 2.010 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.386 Ave N Shift Values>> N :: 121.02(4.96) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.27 C Shift Assignments>> C :: 177.347 CA :: 52.925 CB :: 18.348 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.206 HA :: 3.909 HB1 :: 1.067 HB2 :: 1.067 HB3 :: 1.067 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.759 Ave N Shift Values>> N :: 123.23(3.7) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 M 0.05 G 0.01 HN Overlap>> 1.V6 1.V6 C Shift Assignments>> CA :: 56.655 CB :: 33.139 CG :: 24.389 CD :: 28.764 CE :: 41.889 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 :: 7.886 HA :: 4.222 HB2 :: 1.747 HB3 :: 1.756 HG2 :: 1.303 HG3 :: 1.303 HD2 :: 1.541 HD3 :: 1.546 HE2 :: 2.830 HE3 :: 2.829 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 :: 119.388 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.96 K 0.01 V 0.01 C Shift Assignments>> CD1 :: 24.936 CD2 :: 24.389 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>> HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 HD21 :: 0.614 HD22 :: 0.614 HD23 :: 0.614 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.97 V 0.01 C Shift Assignments>> CB :: 69.780 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>> HB :: 4.217 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 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) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 65.405 CB :: 68.139 CG2 :: 21.655 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>> HA :: 3.897 HB :: 4.024 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.98 H 0.01 C Shift Assignments>> CA :: 59.444 CB :: 37.313 CD1 :: 132.810 CD2 :: 132.723 CE1 :: 117.888 CE2 :: 117.880 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>> HA :: 4.251 HB2 :: 2.915 HB3 :: 2.915 HD1 :: 6.898 HD2 :: 6.898 HE1 :: 6.630 HE2 :: 6.630 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) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 178.114 CA :: 54.508 CB :: 18.342 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.930 HB1 :: 1.285 HB2 :: 1.285 HB3 :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.560 CA :: 61.969 CB :: 62.167 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.942 HA :: 3.853 HB2 :: 3.928 HB3 :: 3.929 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 :: 112.045 Ave N Shift Values>> N :: 116.3(3.95) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.41 M 0.02 C Shift Assignments>> C :: 177.271 CA :: 57.825 CB :: 31.766 CG :: 24.465 CD :: 27.856 CE :: 41.780 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 :: 7.781 HA :: 4.034 HB2 :: 1.772 HB3 :: 1.771 HG2 :: 1.249 HG3 :: 1.287 HD2 :: 1.627 HD3 :: 1.406 HE2 :: 2.909 HE3 :: 2.867 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 :: 122.143 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.3 R 0.22 E 0.05 M 0.04 C Shift Assignments>> C :: 177.705 CA :: 57.530 CB :: 27.875 CG :: 32.995 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 :: 7.483 HA :: 3.993 HB2 :: 1.908 HB3 :: 2.022 HG2 :: 1.971 HG3 :: 1.969 HE21 :: 7.165 HE22 :: 7.029 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.750 NE2 :: 114.268 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.45 I 0.01 C Shift Assignments>> C :: 180.234 CA :: 54.303 CB :: 18.260 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.804 HA :: 3.872 HB1 :: 1.302 HB2 :: 1.302 HB3 :: 1.302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.946 Ave N Shift Values>> N :: 123.23(3.7) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 178.803 CA :: 65.511 CB :: 67.691 CG2 :: 21.218 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 :: 8.702 HA :: 3.714 HB :: 3.941 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 111.010 Ave N Shift Values>> N :: 115.7(5.05) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 D 0.14 L 0.08 N 0.08 I 0.06 E 0.02 K 0.01 C Shift Assignments>> C :: 177.526 CA :: 56.615 CB :: 39.346 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 :: 8.574 HA :: 4.516 HB2 :: 2.849 HB3 :: 2.601 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.501 Ave N Shift Values>> N :: 120.73(4.2) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.29 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 175.483 CA :: 55.490 CB :: 34.196 CG :: 32.457 CE :: 17.553 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 :: 7.114 HA :: 4.236 HB2 :: 2.085 HB3 :: 2.437 HG2 :: 2.756 HG3 :: 2.363 HE1 :: 1.998 HE2 :: 1.998 HE3 :: 1.998 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.472 Ave N Shift Values>> N :: 120.1(3.88) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.08 F 0.01 C Shift Assignments>> C :: 175.202 CA :: 44.962 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.647 HA2 :: 4.292 HA3 :: 4.612 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.917 Ave N Shift Values>> N :: 109.91(4.29) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.26 L 0.08 HN Overlap>> 1.I107 1.I107 C Shift Assignments>> C :: 177.245 CA :: 53.123 CB :: 20.671 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.884 HA :: 4.454 HB1 :: 1.191 HB2 :: 1.191 HB3 :: 1.191 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.431 Ave N Shift Values>> N :: 123.23(3.7) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 173.797 CA :: 58.577 CB :: 40.971 CG1 :: 24.993 CG2 :: 14.756 CD1 :: 12.811 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 :: 7.980 HA :: 4.687 HB :: 1.791 HG12 :: 1.166 HG13 :: 1.183 HG21 :: 0.181 HG22 :: 0.181 HG23 :: 0.181 HD11 :: 0.409 HD12 :: 0.409 HD13 :: 0.409 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 :: 108.738 Ave N Shift Values>> N :: 121.6(4.72) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.501 CA :: 55.611 CB :: 40.802 CD1 :: 131.656 CD2 :: 131.788 CE1 :: 117.929 CE2 :: 117.910 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 :: 8.571 HA :: 6.088 HB2 :: 2.602 HB3 :: 2.892 HD1 :: 6.530 HD2 :: 6.530 HE1 :: 6.216 HE2 :: 6.216 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.199 Ave N Shift Values>> N :: 120.79(4.69) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 A 0.39 I 0.08 C Shift Assignments>> C :: 175.457 CA :: 57.887 CB :: 36.097 CG1 :: 20.858 CG2 :: 18.638 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 :: 9.476 HA :: 5.411 HB :: 2.022 HG11 :: 0.566 HG12 :: 0.566 HG13 :: 0.566 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 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 :: 111.505 Ave N Shift Values>> N :: 121.02(4.96) 1.N26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.61 D 0.26 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> CA :: 50.322 CB :: 39.506 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 :: 8.701 HA :: 5.035 HB2 :: 2.683 HB3 :: 4.235(S) HD21 :: 7.299 HD22 :: 7.734 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 :: 117.120 ND2 :: 109.312 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.998 CA :: 60.469 CB :: 61.964 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 3.994 HB2 :: 4.114 HB3 :: 4.121 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.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.37 M 0.03 C Shift Assignments>> C :: 176.249 CA :: 55.898 CB :: 31.528 CG :: 24.910 CD :: 28.638 CE :: 41.780 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 :: 6.969 HA :: 4.154 HB2 :: 1.912 HB3 :: 1.951 HG2 :: 1.553 HG3 :: 1.401 HD2 :: 1.665 HD3 :: 1.666 HE2 :: 2.992 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 :: 118.958 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 172.265 CA :: 45.135 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.052 HA2 :: 3.900 HA3 :: 3.096 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.096 Ave N Shift Values>> N :: 109.91(4.29) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.24 R 0.16 K 0.1 N 0.04 F 0.04 G 0.03 Y 0.03 HN Overlap>> 1.I80 1.I80 1.A102 1.A102 C Shift Assignments>> C :: 176.070 CA :: 53.132 CB :: 42.654 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 :: 7.923 HA :: 5.082 HB2 :: 2.387 HB3 :: 2.901 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 :: 118.433 Ave N Shift Values>> N :: 120.73(4.2) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.39 M 0.09 Q 0.03 C Shift Assignments>> C :: 176.249 CA :: 57.082 CB :: 30.868 CG :: 28.497 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 :: 8.827 HA :: 4.997 HB2 :: 2.011 HB3 :: 2.011 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 :: 119.213 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.02 C Shift Assignments>> C :: 176.811 CA :: 61.117 CB :: 41.561 CG1 :: 24.066 CG2 :: 18.885 CD1 :: 12.796 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 :: 8.265 HA :: 4.383 HB :: 1.823 HG12 :: 0.743 HG13 :: 1.016 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 HD11 :: 0.476 HD12 :: 0.476 HD13 :: 0.476 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 :: 110.295 Ave N Shift Values>> N :: 121.6(4.72) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.01 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> C :: 170.860 CA :: 60.005 CB :: 34.279 CG1 :: 19.030 CG2 :: 20.979 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 :: 7.430 HA :: 3.644 HB :: 1.687 HG11 :: 0.510 HG12 :: 0.510 HG13 :: 0.510 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 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 :: 121.891 Ave N Shift Values>> N :: 121.02(4.96) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 M 0.11 E 0.11 Y 0.07 F 0.03 D 0.03 K 0.03 Q 0.01 HN Overlap>> 1.Q49 1.Q49 C Shift Assignments>> C :: 176.070 CA :: 52.634 CB :: 36.488 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 :: 7.927 HA :: 4.143 HB2 :: 3.259 HB3 :: 3.091 HD21 :: 7.466 HD22 :: 7.379 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.232 ND2 :: 109.468 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 E 0.24 K 0.04 C Shift Assignments>> C :: 175.917 CA :: 60.183 CB :: 27.622 CG :: 36.864 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 :: 10.112 HA :: 3.646 HB2 :: 1.817 HB3 :: 1.813 HG2 :: 1.970 HG3 :: 1.969 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.672 Ave N Shift Values>> N :: 120.68(3.68) 1.S36 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 :: 57.594 CB :: 63.537 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.090 HA :: 4.410 HB2 :: 3.667 HB3 :: 3.694 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 :: 111.349 Ave N Shift Values>> N :: 116.3(3.95) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.28 L 0.05 Y 0.04 F 0.04 C Shift Assignments>> CA :: 51.540 CB :: 39.563 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 :: 7.270 HA :: 4.800 HB2 :: 2.676 HB3 :: 3.020 HD21 :: 7.402 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.751 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> CA :: 62.124 CB :: 32.046 CG1 :: 21.108 CG2 :: 19.468 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>> HA :: 4.123 HB :: 2.301 HG11 :: 0.955 HG12 :: 0.955 HG13 :: 0.955 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.99 C Shift Assignments>> CA :: 61.030 CB :: 38.061 CD2 :: 132.929 CE1 :: 117.805 CE2 :: 117.788 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>> HA :: 4.221 HB2 :: 2.937 HB3 :: 3.164 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 6.682 HE2 :: 6.682 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) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 65.019 CB :: 68.516 CG2 :: 21.655 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>> HA :: 3.765 HB :: 4.080 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 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) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 63.764 CB :: 68.686 CG2 :: 21.900 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>> HA :: 4.119 HB :: 4.183 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 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) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> C :: 175.943 CA :: 59.244 CB :: 37.632 CD1 :: 130.323 CD2 :: 130.561 CE1 :: 130.198 CE2 :: 130.292 CZ :: 128.773 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>> HA :: 4.080 HB2 :: 3.048 HB3 :: 2.759 HD1 :: 6.554 HD2 :: 6.554 HE1 :: 6.406 HE2 :: 6.406 HZ :: 6.360 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) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.15 G 0.09 L 0.07 C Shift Assignments>> C :: 177.245 CA :: 58.996 CB :: 29.025 CG :: 27.310 CD :: 43.100 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 :: 8.064 HA :: 3.250 HB2 :: 1.354 HB3 :: 1.506 HG2 :: 1.246 HG3 :: 1.374 HD2 :: 3.046 HD3 :: 3.048 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.653 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.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.22 E 0.17 F 0.14 D 0.08 M 0.04 I 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 173.695 CA :: 55.330 CB :: 37.611 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 :: 7.681 HA :: 4.237 HB2 :: 2.663 HB3 :: 2.726 HD21 :: 7.603 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 :: 114.501 ND2 :: 112.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> C :: 179.978 CA :: 54.488 CB :: 17.733 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.413 HA :: 4.039 HB1 :: 1.191 HB2 :: 1.191 HB3 :: 1.191 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.781 Ave N Shift Values>> N :: 123.23(3.7) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.650 CA :: 65.616 CB :: 36.694 CG1 :: 28.192 CG2 :: 17.360 CD1 :: 12.249 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 :: 7.798 HA :: 3.182 HB :: 1.381 HG12 :: 0.166 HG13 :: 0.910 HG21 :: 0.365 HG22 :: 0.365 HG23 :: 0.365 HD11 :: -0.060 HD12 :: -0.060 HD13 :: -0.060 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.747 Ave N Shift Values>> N :: 121.6(4.72) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 A 0.01 C Shift Assignments>> C :: 177.501 CA :: 56.680 CB :: 41.413 CG :: 26.547 CD1 :: 24.882 CD2 :: 23.161 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 :: 7.653 HA :: 3.799 HB2 :: 1.714 HB3 :: 1.411 HG :: 1.595 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 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 :: 117.524 Ave N Shift Values>> N :: 121.98(4.07) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.04 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 177.347 CA :: 56.278 CB :: 32.472 CG :: 24.910 CD :: 28.780 CE :: 41.780 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 :: 7.059 HA :: 4.144 HB2 :: 1.829 HB3 :: 1.883 HG2 :: 1.403 HG3 :: 1.456 HD2 :: 1.624 HD3 :: 1.626 HE2 :: 2.912 HE3 :: 2.912 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 :: 115.478 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 R 0.3 Q 0.2 M 0.09 E 0.01 HN Overlap>> 1.N34 1.N34 C Shift Assignments>> CA :: 53.688 CB :: 28.100 CG :: 32.264 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 :: 7.853 HA :: 4.350 HB2 :: 2.701 HB3 :: 2.144 HG2 :: 2.481 HG3 :: 2.941 HE21 :: 6.957 HE22 :: 7.805 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 :: 118.165 NE2 :: 112.650 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 C Shift Assignments>> CA :: 55.014 CB :: 17.827 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.553 HA :: 4.031 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 111.682 Ave N Shift Values>> N :: 123.23(3.7) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.59 D 0.24 Y 0.05 F 0.04 L 0.04 C Shift Assignments>> CA :: 51.733 CB :: 39.155 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 :: 4.535 HB2 :: 2.588 HB3 :: 2.928 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.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.53 K 0.3 L 0.11 G 0.03 C Shift Assignments>> CA :: 56.108 CB :: 28.780 CG :: 24.389 CD :: 28.764 CE :: 42.436 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>> HA :: 3.900 HB2 :: 1.609 HB3 :: 1.610 HG2 :: 1.240 HG3 :: 1.384 HD2 :: 1.445 HD3 :: 1.775 HE2 :: 2.940 HE3 :: 3.025 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) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.94 A 0.03 I 0.01 C Shift Assignments>> C :: 171.958 CA :: 59.061 CB :: 34.772 CG1 :: 19.431 CG2 :: 21.134 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>> HA :: 4.605 HB :: 1.706 HG11 :: 0.628 HG12 :: 0.628 HG13 :: 0.628 HG21 :: 0.504 HG22 :: 0.504 HG23 :: 0.504 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) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.33 M 0.12 K 0.02 C Shift Assignments>> C :: 173.261 CA :: 50.410 CB :: 22.525 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.002 HA :: 4.634 HB1 :: 1.074 HB2 :: 1.074 HB3 :: 1.074 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.235 Ave N Shift Values>> N :: 123.23(3.7) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.385 CA :: 56.851 CB :: 40.290 CD1 :: 132.260 CD2 :: 132.073 CE1 :: 117.910 CE2 :: 117.756 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 :: 9.385 HA :: 5.035 HB2 :: 2.436 HB3 :: 2.437 HD1 :: 6.646 HD2 :: 6.646 HE1 :: 6.461 HE2 :: 6.461 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 :: 115.629 Ave N Shift Values>> N :: 120.79(4.69) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.32 A 0.14 R 0.09 C Shift Assignments>> C :: 176.970 CA :: 53.453 CB :: 43.924 CG :: 26.770 CD1 :: 22.535 CD2 :: 26.249 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 :: 9.132 HA :: 4.791 HB2 :: 1.237 HB3 :: 1.742 HG :: 1.196 HD11 :: 0.297 HD12 :: 0.297 HD13 :: 0.297 HD21 :: 0.621 HD22 :: 0.621 HD23 :: 0.621 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.109 Ave N Shift Values>> N :: 121.98(4.07) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.308 CA :: 61.767 CB :: 32.966 CG1 :: 20.343 CG2 :: 20.515 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 :: 9.187 HA :: 4.693 HB :: 1.920 HG11 :: 0.614 HG12 :: 0.614 HG13 :: 0.614 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 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 :: 126.901 Ave N Shift Values>> N :: 121.02(4.96) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 I 0.02 C Shift Assignments>> C :: 173.516 CA :: 53.614 CB :: 39.003 CG :: 31.630 CE :: 17.830 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 :: 9.284 HA :: 5.675 HB2 :: 2.310 HB3 :: 1.984 HG2 :: 2.883 HG3 :: 2.676 HE1 :: 1.902 HE2 :: 1.902 HE3 :: 1.902 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 :: 122.957 Ave N Shift Values>> N :: 120.1(3.88) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.15 K 0.08 R 0.05 F 0.04 Y 0.03 G 0.02 HN Overlap>> 1.Q104 1.Q104 C Shift Assignments>> C :: 175.866 CA :: 51.513 CB :: 41.911 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 :: 8.339 HA :: 4.870 HB2 :: 3.573 HB3 :: 2.744 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 :: 118.510 Ave N Shift Values>> N :: 120.73(4.2) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.45 M 0.04 K 0.02 C Shift Assignments>> C :: 176.709 CA :: 60.022 CB :: 30.340 CG :: 37.167 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 :: 8.350 HA :: 4.169 HB2 :: 2.417 HB3 :: 2.075 HG2 :: 2.296 HG3 :: 2.350 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 :: 121.140 Ave N Shift Values>> N :: 120.68(3.68) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.21 G 0.08 L 0.02 C Shift Assignments>> C :: 177.731 CA :: 58.076 CB :: 30.202 CG :: 26.612 CD :: 43.100 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 :: 8.550 HA :: 3.891 HB2 :: 1.982 HB3 :: 1.982 HG2 :: 1.142 HG3 :: 1.510 HD2 :: 3.247 HD3 :: 2.951 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 :: 121.750 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.585 CA :: 65.956 CB :: 67.568 CG2 :: 22.512 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 :: 8.257 HA :: 3.950 HB :: 4.259 HG1 :: 5.724 HG21 :: 1.410 HG22 :: 1.410 HG23 :: 1.410 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 :: 117.082 Ave N Shift Values>> N :: 115.7(5.05) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 C Shift Assignments>> C :: 176.100 CA :: 59.617 CB :: 29.452 CD1 :: 126.108 CE3 :: 121.005 CZ2 :: 112.983 CZ3 :: 119.556 CH2 :: 121.867 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 :: 8.600 HA :: 4.248 HB2 :: 2.512 HB3 :: 2.628 HD1 :: 6.283 HE1 :: 9.558 HE3 :: 7.373 HZ2 :: 7.478 HZ3 :: 6.675 HH2 :: 7.013 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.804 NE1 :: 125.521 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.31 M 0.01 G 0.01 C Shift Assignments>> C :: 178.778 CA :: 59.975 CB :: 31.827 CG :: 25.571 CD :: 28.780 CE :: 41.780 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 :: 8.567 HA :: 3.384 HB2 :: 1.702 HB3 :: 1.703 HG2 :: 1.610 HG3 :: 1.338 HD2 :: 1.613 HD3 :: 1.559 HE2 :: 2.880 HE3 :: 2.880 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 :: 115.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.42 M 0.02 C Shift Assignments>> C :: 179.135 CA :: 57.213 CB :: 31.553 CG :: 24.663 CD :: 27.938 CE :: 41.780 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 :: 6.766 HA :: 4.136 HB2 :: 1.918 HB3 :: 1.706 HG2 :: 1.481 HG3 :: 1.479 HD2 :: 1.657 HD3 :: 1.658 HE2 :: 2.916 HE3 :: 2.911 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 :: 115.040 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.300 CA :: 66.814 CB :: 30.994 CG1 :: 20.999 CG2 :: 22.774 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 :: 7.895 HA :: 3.171 HB :: 1.940 HG11 :: 0.623 HG12 :: 0.623 HG13 :: 0.623 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 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 :: 122.798 Ave N Shift Values>> N :: 121.02(4.96) 1.Y67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.275 CA :: 61.843 CB :: 36.858 CD1 :: 132.821 CD2 :: 132.872 CE1 :: 117.691 CE2 :: 117.747 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 :: 9.034 HA :: 3.130 HB2 :: 2.474 HB3 :: 1.456(S) HD1 :: 7.012 HD2 :: 7.012 HE1 :: 6.760 HE2 :: 6.760 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 :: 121.047 Ave N Shift Values>> N :: 120.79(4.69) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 D 0.14 L 0.09 I 0.06 N 0.06 K 0.02 E 0.01 C Shift Assignments>> C :: 178.982 CA :: 56.772 CB :: 39.574 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 :: 7.314 HA :: 4.154 HB2 :: 2.618 HB3 :: 2.513 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.861 Ave N Shift Values>> N :: 120.73(4.2) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.12 G 0.01 C Shift Assignments>> C :: 179.161 CA :: 57.247 CB :: 41.775 CG :: 26.770 CD1 :: 25.899 CD2 :: 23.897 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 :: 7.387 HA :: 4.141 HB2 :: 1.932 HB3 :: 1.654 HG :: 1.760 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 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 :: 119.917 Ave N Shift Values>> N :: 121.98(4.07) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 A 0.01 C Shift Assignments>> C :: 174.027 CA :: 58.201 CB :: 40.938 CG :: 25.940 CD1 :: 25.647 CD2 :: 22.475 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 :: 8.409 HA :: 4.233 HB2 :: 1.978 HB3 :: 1.147 HG :: 1.866 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 121.376 Ave N Shift Values>> N :: 121.98(4.07) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.774 CA :: 60.988 CB :: 36.257 CG1 :: 26.249 CG2 :: 16.679 CD1 :: 10.553 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 :: 7.808 HA :: 4.539 HB :: 1.980 HG12 :: 1.042 HG13 :: 1.042 HG21 :: 0.640 HG22 :: 0.640 HG23 :: 0.640 HD11 :: 0.514 HD12 :: 0.514 HD13 :: 0.514 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 :: 116.958 Ave N Shift Values>> N :: 121.6(4.72) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.01 G 0.01 HN Overlap>> 1.H139 1.H139 C Shift Assignments>> C :: 177.756 CA :: 56.962 CB :: 41.868 CG :: 26.161 CD1 :: 23.859 CD2 :: 23.952 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 :: 7.591 HA :: 4.029 HB2 :: 1.681 HB3 :: 1.522 HG :: 1.356 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 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 :: 122.292 Ave N Shift Values>> N :: 121.98(4.07) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 H 0.36 C Shift Assignments>> CA :: 61.031 CB :: 30.176 CD2 :: 119.101 CE1 :: 137.787 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 :: 7.726 HA :: 4.486 HB2 :: 2.900 HB3 :: 3.241 HD2 :: 6.755 HE1 :: 8.049 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 :: 115.557 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.23 Y 0.2 L 0.16 D 0.15 K 0.14 I 0.03 N 0.03 R 0.02 C Shift Assignments>> C :: 175.611 CA :: 56.793 CB :: 40.633 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 :: 4.359 HB2 :: 2.620 HB3 :: 2.343 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.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.490 CA :: 57.379 CB :: 40.786 CD1 :: 132.178 CD2 :: 132.274 CE1 :: 130.795 CE2 :: 130.994 CZ :: 129.532 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 :: 7.950 HA :: 5.023 HB2 :: 2.437 HB3 :: 2.947 HD1 :: 7.407 HD2 :: 7.407 HE1 :: 7.365 HE2 :: 7.365 HZ :: 7.267 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.461 Ave N Shift Values>> N :: 120.69(4.18) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.02 A 0.01 C Shift Assignments>> CA :: 58.731 CB :: 68.431 CG2 :: 21.598 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 :: 8.971 HA :: 4.809 HB :: 4.747 HG1 :: 5.749 HG21 :: 1.292 HG22 :: 1.292 HG23 :: 1.292 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 :: 112.065 Ave N Shift Values>> N :: 115.7(5.05) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.570 CA :: 65.791 CB :: 31.878 CG :: 27.835 CD :: 50.173 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 :: 4.147 HB2 :: 1.950 HB3 :: 2.452 HG2 :: 2.034 HG3 :: 2.272 HD2 :: 3.952 HD3 :: 3.855 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.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.36 K 0.07 Q 0.01 HN Overlap>> 1.V94 1.V94 C Shift Assignments>> C :: 179.135 CA :: 59.997 CB :: 28.491 CG :: 36.694 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 :: 8.677 HA :: 3.925 HB2 :: 1.901 HB3 :: 2.037 HG2 :: 2.422 HG3 :: 2.235 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.987 Ave N Shift Values>> N :: 120.68(3.68) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.34 K 0.06 M 0.03 C Shift Assignments>> C :: 178.344 CA :: 58.708 CB :: 29.730 CG :: 37.167 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 :: 8.022 HA :: 3.785 HB2 :: 1.802 HB3 :: 2.398 HG2 :: 2.307 HG3 :: 2.232 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 :: 122.528 Ave N Shift Values>> N :: 120.68(3.68) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D30 1.A102 1.D30 1.A102 C Shift Assignments>> C :: 177.628 CA :: 64.109 CB :: 37.100 CG1 :: 28.491 CG2 :: 17.827 CD1 :: 13.944 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 :: 7.932 HA :: 3.073 HB :: 1.939 HG12 :: 0.833 HG13 :: 1.565 HG21 :: 1.385 HG22 :: 1.385 HG23 :: 1.385 HD11 :: 0.419 HD12 :: 0.419 HD13 :: 0.419 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.409 Ave N Shift Values>> N :: 121.6(4.72) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.25 M 0.03 G 0.01 C Shift Assignments>> C :: 180.029 CA :: 59.792 CB :: 32.075 CG :: 24.910 CD :: 29.258 CE :: 41.780 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 :: 7.935 HA :: 4.156 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 1.552 HG3 :: 1.420 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.917 HE3 :: 2.921 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.320 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 :: 176.454 CA :: 61.157 CB :: 62.837 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.731 HA :: 4.325 HB2 :: 3.955 HB3 :: 3.955 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 :: 115.339 Ave N Shift Values>> N :: 116.3(3.95) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.015 CA :: 57.674 CB :: 36.925 CD1 :: 130.866 CD2 :: 130.496 CE1 :: 130.600 CE2 :: 130.284 CZ :: 129.039 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 :: 7.621 HA :: 4.523 HB2 :: 2.626 HB3 :: 2.288 HD1 :: 6.581 HD2 :: 6.581 HE1 :: 6.747 HE2 :: 6.747 HZ :: 6.745 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 :: 122.026 Ave N Shift Values>> N :: 120.69(4.18) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.245 CA :: 57.920 CB :: 39.531 CD1 :: 133.249 CD2 :: 133.139 CE1 :: 130.686 CE2 :: 130.600 CZ :: 129.045 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 :: 7.754 HA :: 5.008 HB2 :: 3.322 HB3 :: 3.159 HD1 :: 7.469 HD2 :: 7.469 HE1 :: 7.085 HE2 :: 7.085 HZ :: 6.439 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.265 Ave N Shift Values>> N :: 120.69(4.18) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.23 K 0.08 Q 0.06 I 0.04 C Shift Assignments>> CA :: 56.291 CB :: 30.779 CG :: 36.230 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 :: 7.679 HA :: 4.331 HB2 :: 2.133 HB3 :: 2.062 HG2 :: 2.254 HG3 :: 2.437 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 :: 120.620 Ave N Shift Values>> N :: 120.68(3.68) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.14 Y 0.08 F 0.06 E 0.03 L 0.02 M 0.01 C Shift Assignments>> CA :: 52.827 CB :: 38.061 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 :: 4.738 HB2 :: 2.756 HB3 :: 2.919 HD21 :: 7.662 HD22 :: 6.834 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 :: 111.532 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.39 M 0.03 C Shift Assignments>> CA :: 55.561 CB :: 31.754 CG :: 24.389 CD :: 28.218 CE :: 41.889 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 :: 8.660 HA :: 4.482 HB2 :: 1.702 HB3 :: 1.942 HG2 :: 1.352 HG3 :: 1.424 HD2 :: 1.666 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 :: 124.760 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 174.040 CA :: 45.171 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.127 HA3 :: 3.719 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.2 M 0.05 A 0.01 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> C :: 175.023 CA :: 55.115 CB :: 33.416 CG :: 23.969 CD :: 28.780 CE :: 41.780 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 :: 7.616 HA :: 4.413 HB2 :: 1.839 HB3 :: 1.685 HG2 :: 1.311 HG3 :: 1.308 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.945 HE3 :: 2.945 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 :: 119.812 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.16 G 0.09 L 0.05 HN Overlap>> 1.R152 1.R152 C Shift Assignments>> CA :: 54.200 CB :: 30.034 CG :: 26.800 CD :: 43.100 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 :: 8.237 HA :: 4.482 HB2 :: 1.727 HB3 :: 1.797 HG2 :: 1.652 HG3 :: 1.650 HD2 :: 3.179 HD3 :: 3.179 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 :: 121.563 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.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.654 CA :: 62.671 CB :: 32.046 CG :: 27.280 CD :: 50.718 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 :: 4.497 HB2 :: 2.031 HB3 :: 2.169 HG2 :: 2.008 HG3 :: 1.830 HD2 :: 3.802 HD3 :: 3.625 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.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 63.218 CB :: 32.593 CG1 :: 21.655 CG2 :: 21.053 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 :: 8.325 HA :: 4.024 HB :: 2.111 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.757 Ave N Shift Values>> N :: 121.02(4.96) 1.F93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> C :: 174.283 CA :: 54.341 CB :: 37.788 CD1 :: 131.117 CD2 :: 131.139 CE1 :: 130.328 CE2 :: 130.600 CZ :: 128.190 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 :: 7.399 HA :: 5.102 HB2 :: 1.731(S) HB3 :: 1.420(S) HD1 :: 6.945 HD2 :: 6.945 HE1 :: 6.964 HE2 :: 6.964 HZ :: 6.674 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) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 173.057 CA :: 59.869 CB :: 35.957 CG1 :: 21.752 CG2 :: 21.310 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 :: 8.650 HA :: 4.546 HB :: 1.893 HG11 :: 0.778 HG12 :: 0.778 HG13 :: 0.778 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 116.928 Ave N Shift Values>> N :: 121.02(4.96) 1.K95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.6 A 0.2 M 0.1 R 0.06 G 0.03 C Shift Assignments>> C :: 175.432 CA :: 53.402 CB :: 35.631 CG :: 23.031 CD :: 29.125 CE :: 41.780 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 :: 8.884 HA :: 5.309 HB2 :: 1.086 HB3 :: 0.712(S) HG2 :: 0.861 HG3 :: 0.577 HD2 :: 1.000 HD3 :: 1.037 HE2 :: 2.521 HE3 :: 2.521 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 :: 120.971 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 173.006 CA :: 45.171 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.418 HA2 :: 3.962 HA3 :: 4.114 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.231 Ave N Shift Values>> N :: 109.91(4.29) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.976 CA :: 58.138 CB :: 63.779 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.237 HA :: 5.026 HB2 :: 4.393 HB3 :: 4.083 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 :: 115.460 Ave N Shift Values>> N :: 116.3(3.95) 1.L98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 A 0.26 R 0.06 V 0.01 C Shift Assignments>> C :: 177.654 CA :: 58.665 CB :: 40.094 CG :: 25.389 CD1 :: 20.780 CD2 :: 26.375 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 :: 9.187 HA :: 3.281 HB2 :: 1.316 HB3 :: 0.828 HG :: 0.854 HD11 :: -0.289(S) HD12 :: -0.289(S) HD13 :: -0.289(S) HD21 :: 0.353 HD22 :: 0.353 HD23 :: 0.353 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.198 Ave N Shift Values>> N :: 121.98(4.07) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 E 0.37 K 0.07 Q 0.01 HN Overlap>> 1.G143 1.G143 C Shift Assignments>> C :: 178.880 CA :: 59.974 CB :: 28.579 CG :: 36.671 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 :: 8.838 HA :: 3.640 HB2 :: 1.799 HB3 :: 1.801 HG2 :: 2.183 HG3 :: 1.939 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 :: 112.768 Ave N Shift Values>> N :: 120.68(3.68) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.705 CA :: 60.117 CB :: 63.233 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.754 HA :: 4.228 HB2 :: 3.812 HB3 :: 3.956 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.040 Ave N Shift Values>> N :: 116.3(3.95) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.28 I 0.03 C Shift Assignments>> C :: 178.395 CA :: 54.669 CB :: 16.504 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.373 HA :: 3.668 HB1 :: 0.941 HB2 :: 0.941 HB3 :: 0.941 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.073 Ave N Shift Values>> N :: 123.23(3.7) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.04 HN Overlap>> 1.I80 1.D30 1.I80 1.D30 C Shift Assignments>> C :: 176.556 CA :: 55.250 CB :: 18.259 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.949 HA :: 3.397 HB1 :: 1.255 HB2 :: 1.255 HB3 :: 1.255 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.439 Ave N Shift Values>> N :: 123.23(3.7) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.22 K 0.15 Q 0.07 M 0.04 C Shift Assignments>> C :: 180.004 CA :: 58.896 CB :: 29.285 CG :: 36.010 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 :: 7.639 HA :: 3.924 HB2 :: 2.063 HB3 :: 2.063 HG2 :: 2.328 HG3 :: 2.123 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 :: 117.410 Ave N Shift Values>> N :: 120.68(3.68) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 M 0.22 Q 0.18 K 0.11 I 0.05 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 177.654 CA :: 58.566 CB :: 30.913 CG :: 35.097 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 :: 8.292 HA :: 3.936 HB2 :: 2.089 HB3 :: 2.009 HG2 :: 2.220 HG3 :: 2.641 HE21 :: 6.826 HE22 :: 6.939 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 :: 118.474 NE2 :: 111.028 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 176.070 CA :: 52.562 CB :: 19.116 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.001 HA :: 4.264 HB1 :: 1.025 HB2 :: 1.025 HB3 :: 1.025 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.219 Ave N Shift Values>> N :: 123.23(3.7) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 174.040 CA :: 45.171 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.522 HA2 :: 3.641 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 :: 104.120 Ave N Shift Values>> N :: 109.91(4.29) 1.I107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.97 A 0.02 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 175.820 CA :: 58.871 CB :: 40.554 CG1 :: 26.596 CG2 :: 17.936 CD1 :: 14.491 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 :: 7.875 HA :: 4.342 HB :: 0.875 HG12 :: -0.128(S) HG13 :: 0.529 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 HD11 :: -0.059 HD12 :: -0.059 HD13 :: -0.059 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.351 Ave N Shift Values>> N :: 121.6(4.72) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.734 CA :: 64.637 CB :: 30.612 CG1 :: 22.421 CG2 :: 21.464 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 :: 7.268 HA :: 3.566 HB :: 1.890 HG11 :: 0.979 HG12 :: 0.979 HG13 :: 0.979 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 126.128 Ave N Shift Values>> N :: 121.02(4.96) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.373 CA :: 66.946 CB :: 32.014 CG1 :: 21.175 CG2 :: 21.607 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 :: 7.947 HA :: 3.049 HB :: 1.920 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 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 :: 130.698 Ave N Shift Values>> N :: 121.02(4.96) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.29 D 0.12 I 0.07 L 0.07 N 0.06 E 0.02 K 0.01 C Shift Assignments>> C :: 179.084 CA :: 56.951 CB :: 39.333 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 :: 8.596 HA :: 4.136 HB2 :: 2.580 HB3 :: 2.517 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.932 Ave N Shift Values>> N :: 120.73(4.2) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.31 K 0.12 Q 0.02 C Shift Assignments>> C :: 177.092 CA :: 57.677 CB :: 28.150 CG :: 36.870 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 :: 6.769 HA :: 4.154 HB2 :: 1.960 HB3 :: 2.069 HG2 :: 1.941 HG3 :: 1.939 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 :: 118.670 Ave N Shift Values>> N :: 120.68(3.68) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 HN Overlap>> 1.K89 1.K89 C Shift Assignments>> C :: 178.446 CA :: 57.450 CB :: 40.210 CG :: 26.440 CD1 :: 24.772 CD2 :: 26.561 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 :: 7.639 HA :: 4.461 HB2 :: 1.735 HB3 :: 1.297 HG :: 1.297 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.532 HD22 :: 0.532 HD23 :: 0.532 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 :: 119.868 Ave N Shift Values>> N :: 121.98(4.07) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y137 1.Y137 C Shift Assignments>> C :: 178.267 CA :: 66.548 CB :: 31.299 CG1 :: 20.503 CG2 :: 22.296 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 :: 8.280 HA :: 3.302 HB :: 2.044 HG11 :: 0.828 HG12 :: 0.828 HG13 :: 0.828 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.615 Ave N Shift Values>> N :: 121.02(4.96) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 E 0.13 R 0.11 M 0.03 I 0.03 C Shift Assignments>> C :: 177.373 CA :: 58.435 CB :: 28.381 CG :: 33.720 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 :: 7.375 HA :: 3.943 HB2 :: 2.198 HB3 :: 2.118 HG2 :: 2.324 HG3 :: 2.414 HE21 :: 7.466 HE22 :: 6.924 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.096 NE2 :: 113.937 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.220 CA :: 65.678 CB :: 68.002 CG2 :: 22.366 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 :: 9.252 HA :: 3.975 HB :: 4.624 HG1 :: 6.277 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 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 :: 120.436 Ave N Shift Values>> N :: 115.7(5.05) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.632 CA :: 67.837 CB :: 30.821 CG1 :: 20.356 CG2 :: 22.622 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 :: 8.757 HA :: 3.485 HB :: 1.875 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 0.527 HG22 :: 0.527 HG23 :: 0.527 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 :: 122.741 Ave N Shift Values>> N :: 121.02(4.96) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.26 M 0.02 G 0.01 C Shift Assignments>> C :: 180.234 CA :: 60.150 CB :: 31.799 CG :: 24.910 CD :: 29.202 CE :: 41.780 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 :: 8.179 HA :: 3.952 HB2 :: 1.895 HB3 :: 1.897 HG2 :: 1.356 HG3 :: 1.542 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.906 HE3 :: 2.909 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 :: 120.902 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 N 0.24 Y 0.14 M 0.12 F 0.07 K 0.05 D 0.03 I 0.01 Q 0.01 C Shift Assignments>> C :: 177.475 CA :: 54.773 CB :: 36.607 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 :: 8.846 HA :: 4.259 HB2 :: 2.976 HB3 :: 2.379 HD21 :: 8.008 HD22 :: 6.946 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.745 ND2 :: 111.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.581 CA :: 62.063 CB :: 38.515 CD1 :: 131.989 CD2 :: 132.346 CE1 :: 121.234 CE2 :: 121.129 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 :: 8.473 HA :: 3.771 HB2 :: 3.122 HB3 :: 3.366 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.731 HE2 :: 6.731 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.081 Ave N Shift Values>> N :: 120.79(4.69) 1.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.32 E 0.16 R 0.08 M 0.05 I 0.04 C Shift Assignments>> C :: 180.310 CA :: 59.177 CB :: 29.038 CG :: 33.720 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 :: 8.879 HA :: 4.295 HB2 :: 2.148 HB3 :: 2.395 HG2 :: 2.641 HG3 :: 2.966 HE21 :: 7.564 HE22 :: 7.409 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.530 NE2 :: 110.689 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.636 CA :: 46.811 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.418 HA2 :: 3.922 HA3 :: 3.970 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.662 Ave N Shift Values>> N :: 109.91(4.29) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.83 H 0.16 C Shift Assignments>> C :: 178.957 CA :: 56.917 CB :: 35.491 CD1 :: 131.828 CD2 :: 131.762 CE1 :: 117.910 CE2 :: 118.231 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 :: 7.969 HA :: 4.749 HB2 :: 3.068 HB3 :: 3.282 HD1 :: 7.185 HD2 :: 7.185 HE1 :: 7.008 HE2 :: 7.008 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.735 Ave N Shift Values>> N :: 120.79(4.69) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.314 CA :: 66.104 CB :: 30.591 CG1 :: 21.108 CG2 :: 21.621 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 :: 8.115 HA :: 3.221 HB :: 2.006 HG11 :: 0.657 HG12 :: 0.657 HG13 :: 0.657 HG21 :: 0.383 HG22 :: 0.383 HG23 :: 0.383 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.310 Ave N Shift Values>> N :: 121.02(4.96) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 E 0.12 R 0.12 I 0.03 M 0.03 C Shift Assignments>> C :: 177.756 CA :: 58.501 CB :: 28.216 CG :: 33.720 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 :: 7.536 HA :: 3.936 HB2 :: 2.190 HB3 :: 2.188 HG2 :: 2.422 HG3 :: 2.421 HE21 :: 6.841 HE22 :: 7.490 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.179 NE2 :: 111.810 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.17 F 0.1 Y 0.08 N 0.07 R 0.05 C Shift Assignments>> C :: 176.632 CA :: 54.860 CB :: 41.331 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 :: 8.331 HA :: 4.565 HB2 :: 2.859 HB3 :: 2.941 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.281 Ave N Shift Values>> N :: 120.73(4.2) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 173.670 CA :: 45.171 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.005 HA2 :: 3.727 HA3 :: 3.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.237 Ave N Shift Values>> N :: 109.91(4.29) 1.H127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 W 0.41 Y 0.01 C Shift Assignments>> C :: 172.086 CA :: 55.574 CB :: 32.398 CD2 :: 119.128 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 :: 7.914 HA :: 4.444 HB2 :: 2.688 HB3 :: 2.518 HD2 :: 5.988 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 :: 116.518 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.32 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> C :: 175.713 CA :: 51.152 CB :: 39.901 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 :: 9.237 HA :: 4.032 HB2 :: 2.466 HB3 :: 2.857 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.208 Ave N Shift Values>> N :: 120.73(4.2) 1.H129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.5 H 0.49 C Shift Assignments>> C :: 175.190 CA :: 57.769 CB :: 30.890 CD2 :: 119.437 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 :: 5.122(S) HA :: 3.741 HB2 :: 2.450 HB3 :: 2.879 HD2 :: 6.930 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 :: 122.889 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.29 K 0.09 F 0.07 D 0.07 G 0.05 Y 0.05 C Shift Assignments>> C :: 176.410 CA :: 56.356 CB :: 43.343 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 :: 7.319 HA :: 4.458 HB2 :: 2.166 HB3 :: 2.492 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 :: 114.681 Ave N Shift Values>> N :: 120.73(4.2) 1.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.096 CA :: 58.493 CB :: 40.643 CD1 :: 131.351 CD2 :: 131.110 CE1 :: 131.149 CE2 :: 131.326 CZ :: 128.607 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 :: 7.737 HA :: 4.674 HB2 :: 3.241 HB3 :: 2.856 HD1 :: 7.081 HD2 :: 7.081 HE1 :: 7.007 HE2 :: 7.007 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 :: 113.607 Ave N Shift Values>> N :: 120.69(4.18) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.040 CA :: 46.811 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.472 HA2 :: 3.734 HA3 :: 3.734 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.432 Ave N Shift Values>> N :: 109.91(4.29) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 R 0.14 K 0.01 C Shift Assignments>> C :: 175.100 CA :: 56.950 CB :: 32.966 CG :: 25.354 CD :: 45.174 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 :: 8.967 HA :: 4.002 HB2 :: 1.910 HB3 :: 1.640 HG2 :: 1.878 HG3 :: 1.796 HD2 :: 3.144 HD3 :: 3.585 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 :: 121.938 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.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.28 R 0.12 K 0.1 N 0.07 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> CA :: 52.727 CB :: 42.434 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 :: 8.378 HA :: 4.575 HB2 :: 2.823 HB3 :: 2.824 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 :: 127.417 Ave N Shift Values>> N :: 120.73(4.2) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.858 CA :: 64.353 CB :: 31.977 CG :: 27.140 CD :: 51.538 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 :: 4.041 HB2 :: 2.222 HB3 :: 1.883 HG2 :: 2.006 HG3 :: 1.910 HD2 :: 3.677 HD3 :: 3.918 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.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.32 M 0.07 C Shift Assignments>> C :: 177.220 CA :: 58.184 CB :: 31.383 CG :: 23.628 CD :: 29.009 CE :: 41.498 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 :: 8.823 HA :: 3.925 HB2 :: 1.071 HB3 :: 1.376 HG2 :: 0.833 HG3 :: 0.650 HD2 :: 1.387 HD3 :: 1.390 HE2 :: 2.762 HE3 :: 2.762 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.478 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.V113 1.V113 C Shift Assignments>> C :: 174.078 CA :: 56.158 CB :: 39.663 CD1 :: 133.095 CD2 :: 133.229 CE1 :: 117.737 CE2 :: 117.910 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 :: 8.265 HA :: 4.721 HB2 :: 2.600 HB3 :: 3.719 HD1 :: 7.279 HD2 :: 7.279 HE1 :: 6.812 HE2 :: 6.812 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 :: 117.520 Ave N Shift Values>> N :: 120.79(4.69) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 A 0.06 C Shift Assignments>> C :: 174.819 CA :: 53.305 CB :: 41.445 CG :: 25.996 CD1 :: 24.554 CD2 :: 23.276 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 :: 6.957 HA :: 4.400 HB2 :: 1.060 HB3 :: 1.877 HG :: 1.661 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 HD21 :: 0.739 HD22 :: 0.739 HD23 :: 0.739 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.190 Ave N Shift Values>> N :: 121.98(4.07) 1.H139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.2 Q 0.12 R 0.12 H 0.11 W 0.09 E 0.07 V 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 173.746 CA :: 55.573 CB :: 32.538 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 :: 7.674 HA :: 4.365 HB2 :: 2.984 HB3 :: 2.942 HD2 :: 6.937 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 :: 122.343 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.33 E 0.17 R 0.07 M 0.04 I 0.01 C Shift Assignments>> C :: 176.964 CA :: 56.496 CB :: 28.644 CG :: 34.098 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 :: 9.006 HA :: 4.241 HB2 :: 2.014 HB3 :: 2.085 HG2 :: 2.255 HG3 :: 2.434 HE21 :: 7.484 HE22 :: 6.914 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 :: 124.360 NE2 :: 111.080 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.607 CA :: 58.017 CB :: 39.150 CD1 :: 132.157 CD2 :: 132.202 CE1 :: 130.829 CE2 :: 131.116 CZ :: 129.405 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 :: 9.566 HA :: 4.804 HB2 :: 3.081 HB3 :: 3.024 HD1 :: 7.373 HD2 :: 7.373 HE1 :: 7.293 HE2 :: 7.293 HZ :: 7.095 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 :: 121.591 Ave N Shift Values>> N :: 120.69(4.18) 1.E142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.49 M 0.34 Q 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 177.143 CA :: 55.341 CB :: 31.293 CG :: 36.010 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 :: 10.901(S) HA :: 4.606 HB2 :: 1.945 HB3 :: 2.008 HG2 :: 2.178 HG3 :: 2.379 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 :: 129.157 Ave N Shift Values>> N :: 120.68(3.68) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.24 R 0.21 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 173.133 CA :: 44.407 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.897 HA2 :: 3.934 HA3 :: 4.266 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.686 Ave N Shift Values>> N :: 109.91(4.29) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.33 Q 0.07 K 0.05 I 0.02 C Shift Assignments>> C :: 176.505 CA :: 56.162 CB :: 31.416 CG :: 36.010 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 :: 8.339 HA :: 4.574 HB2 :: 2.261 HB3 :: 1.921 HG2 :: 2.260 HG3 :: 2.260 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 :: 114.315 Ave N Shift Values>> N :: 120.68(3.68) 1.T145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.648 CA :: 62.465 CB :: 69.109 CG2 :: 22.134 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 :: 7.621 HA :: 4.354 HB :: 3.852 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 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 :: 117.080 Ave N Shift Values>> N :: 115.7(5.05) 1.F146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.97 G 0.01 C Shift Assignments>> C :: 172.903 CA :: 56.488 CB :: 42.005 CD1 :: 131.128 CD2 :: 130.791 CE1 :: 130.600 CE2 :: 130.797 CZ :: 129.431 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 :: 9.453 HA :: 5.002 HB2 :: 2.445 HB3 :: 2.380 HD1 :: 6.790 HD2 :: 6.790 HE1 :: 6.591 HE2 :: 6.591 HZ :: 7.014 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 :: 126.818 Ave N Shift Values>> N :: 120.69(4.18) 1.Y147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.666 CA :: 56.125 CB :: 40.950 CD1 :: 131.599 CD2 :: 131.846 CE1 :: 116.339 CE2 :: 116.356 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 :: 9.044 HA :: 5.083 HB2 :: 2.678 HB3 :: 2.248 HD1 :: 6.214 HD2 :: 6.214 HE1 :: 5.869 HE2 :: 5.869 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.178 Ave N Shift Values>> N :: 120.79(4.69) 1.I148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.023 CA :: 59.435 CB :: 40.389 CG1 :: 26.703 CG2 :: 17.804 CD1 :: 12.468 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 :: 8.922 HA :: 5.506 HB :: 1.390 HG12 :: 1.328 HG13 :: 0.930 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 HD11 :: 0.256 HD12 :: 0.256 HD13 :: 0.256 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 :: 120.345 Ave N Shift Values>> N :: 121.6(4.72) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 175.820 CA :: 58.986 CB :: 41.209 CG1 :: 26.292 CG2 :: 16.679 CD1 :: 13.697 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 :: 8.844 HA :: 4.834 HB :: 1.454 HG12 :: 1.190 HG13 :: 0.412 HG21 :: 0.405 HG22 :: 0.405 HG23 :: 0.405 HD11 :: 0.534 HD12 :: 0.534 HD13 :: 0.534 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 :: 125.466 Ave N Shift Values>> N :: 121.6(4.72) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.23 I 0.08 K 0.04 Q 0.02 C Shift Assignments>> C :: 174.793 CA :: 57.016 CB :: 31.225 CG :: 36.714 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 :: 8.811 HA :: 3.991 HB2 :: 2.042 HB3 :: 2.228 HG2 :: 1.797 HG3 :: 1.797 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 :: 130.618 Ave N Shift Values>> N :: 120.68(3.68) 1.Q151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 M 0.27 K 0.22 E 0.1 R 0.02 C Shift Assignments>> C :: 172.648 CA :: 53.827 CB :: 30.276 CG :: 33.720 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 :: 8.917 HA :: 4.569 HB2 :: 1.795 HB3 :: 1.692 HG2 :: 2.067 HG3 :: 2.217 HE22 :: 6.904 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 :: 126.309 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.4 G 0.09 HN Overlap>> 1.R90 1.R90 C Shift Assignments>> C :: 176.249 CA :: 54.291 CB :: 32.793 CG :: 27.925 CD :: 43.100 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 :: 8.267 HA :: 4.580 HB2 :: 1.385 HB3 :: 1.832 HG2 :: 1.468 HG3 :: 1.468 HD2 :: 3.103 HD3 :: 2.965 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 :: 121.635 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.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.06 A 0.03 G 0.01 C Shift Assignments>> C :: 176.970 CA :: 54.883 CB :: 42.025 CG :: 26.770 CD1 :: 25.072 CD2 :: 23.362 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 :: 8.573 HA :: 4.182 HB2 :: 1.443 HB3 :: 1.442 HG :: 1.445 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 122.382 Ave N Shift Values>> N :: 121.98(4.07) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.16 M 0.15 Q 0.14 I 0.04 C Shift Assignments>> CA :: 56.308 CB :: 30.092 CG :: 35.789 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 :: 8.549 HA :: 4.153 HB2 :: 1.836 HB3 :: 1.761 HG2 :: 2.034 HG3 :: 2.095 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 :: 119.407 Ave N Shift Values>> N :: 120.68(3.68) 1.H155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.44 Y 0.34 W 0.21 C Shift Assignments>> CD2 :: 119.101 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.458 HB2 :: 2.852 HB3 :: 2.916 HD2 :: 6.720 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.H156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 173.976 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) 1.H158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.826 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 :: 125.729 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 152 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 153 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 0 C Shift Results: #Consistent: 676 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1069 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 143 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N26 HB3 = 4.235(S), Expected = 2.78, Std = 0.3400, ChiSquare = 1.8739e-05 1.Y67 HB3 = 1.456(S), Expected = 2.91, Std = 0.3700, ChiSquare = 8.5041e-05 1.F93 HB2 = 1.731(S), Expected = 2.99, Std = 0.3700, ChiSquare = 6.6723e-04 1.F93 HB3 = 1.420(S), Expected = 2.97, Std = 0.3800, ChiSquare = 4.5240e-05 1.K95 HB3 = 0.712(S), Expected = 1.78, Std = 0.2600, ChiSquare = 3.9963e-05 1.L98 HD11 = -0.289(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7736e-05 1.L98 HD12 = -0.289(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7736e-05 1.L98 HD13 = -0.289(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7736e-05 1.I107 HG12 = -0.128(S), Expected = 1.30, Std = 0.4000, ChiSquare = 3.5698e-04 1.H129 H = 5.122(S), Expected = 8.25, Std = 0.7400, ChiSquare = 2.3680e-05 1.E142 H = 10.901(S), Expected = 8.34, Std = 0.6100, ChiSquare = 2.6885e-05