Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 Q 0.26 K 0.23 R 0.06 W 0.06 E 0.05 V 0.01 C Shift Assignments>> CA :: 55.355 CB :: 33.581 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.962 HA :: 4.412 HB2 :: 1.930 HB3 :: 1.930 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.525 Ave N Shift Values>> N :: 120.1(3.88) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.27 L 0.01 C Shift Assignments>> CA :: 53.215 CB :: 19.376 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.410 HA :: 4.033 HB1 :: 1.202 HB2 :: 1.202 HB3 :: 1.202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.014 Ave N Shift Values>> N :: 123.23(3.7) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.3 R 0.09 K 0.06 C Shift Assignments>> CA :: 51.817 CB :: 43.557 CG :: 27.410 CD1 :: 25.969 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 :: 8.271 HA :: 4.646 HB2 :: 1.430 HB3 :: 1.048 HG :: 1.395 HD11 :: 0.622 HD12 :: 0.622 HD13 :: 0.622 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 :: 123.255 Ave N Shift Values>> N :: 121.98(4.07) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.240 CB :: 32.070 CG :: 28.149 CD :: 50.521 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 :: 4.606 HB2 :: 2.021 HB3 :: 1.886 HG2 :: 2.000 HG3 :: 1.902 HD2 :: 3.516 HD3 :: 3.516 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.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 I 0.37 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> CA :: 60.833 CB :: 43.943 CG1 :: 27.203 CG2 :: 18.205 CD1 :: 14.599 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 :: 8.317 HA :: 4.359 HB :: 1.555 HG12 :: 1.507 HG13 :: 0.878 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 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 :: 122.161 Ave N Shift Values>> N :: 121.6(4.72) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.865 CB :: 40.264 CG1 :: 28.159 CG2 :: 18.042 CD1 :: 13.314 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 :: 8.408 HA :: 4.921 HB :: 1.545 HG12 :: 1.350 HG13 :: 0.976 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 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 :: 125.649 Ave N Shift Values>> N :: 121.6(4.72) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 M 0.15 K 0.03 I 0.02 C Shift Assignments>> CA :: 60.363 CB :: 34.759 CG1 :: 21.786 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 :: 9.155 HA :: 4.930 HB :: 1.861 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.741 Ave N Shift Values>> N :: 121.02(4.96) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.07 C Shift Assignments>> CA :: 55.275 CB :: 34.935 CG :: 25.461 CD :: 29.787 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.174 HA :: 5.232 HB2 :: 2.006 HB3 :: 1.553 HG2 :: 1.331 HG3 :: 1.286 HD2 :: 1.582 HD3 :: 1.582 HE2 :: 2.856 HE3 :: 2.784 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.098 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 W 0.17 M 0.16 K 0.16 E 0.15 Q 0.08 V 0.05 I 0.02 C Shift Assignments>> CA :: 57.734 CB :: 31.561 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 :: 8.844 HA :: 5.185 HB2 :: 3.237 HB3 :: 3.116 HD1 :: 6.949 HE1 :: 10.238 HE3 :: 7.605 HZ2 :: 7.662 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 :: 125.952 NE1 :: 128.679 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.101 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.683 HA2 :: 3.309 HA3 :: 3.132 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.044 Ave N Shift Values>> N :: 109.91(4.29) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.02 C Shift Assignments>> CA :: 45.460 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.600 HA2 :: 3.863 HA3 :: 3.749 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.364 Ave N Shift Values>> N :: 109.91(4.29) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 Q 0.16 K 0.05 E 0.03 R 0.01 C Shift Assignments>> CA :: 54.502 CB :: 32.178 CG :: 32.510 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 :: 7.865 HA :: 4.483 HB2 :: 2.124 HB3 :: 1.808 HG2 :: 2.047 HG3 :: 2.047 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 :: 119.388 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.34 I 0.05 C Shift Assignments>> CA :: 55.655 CB :: 32.306 CG :: 37.597 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 :: 8.172 HA :: 4.880 HB2 :: 1.648 HB3 :: 1.648 HG2 :: 2.118 HG3 :: 1.801 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 :: 119.756 Ave N Shift Values>> N :: 120.68(3.68) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.14 K 0.13 D 0.12 I 0.05 N 0.02 R 0.01 C Shift Assignments>> CA :: 57.246 CB :: 40.544 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 :: 9.381 HA :: 4.601 HB2 :: 2.791 HB3 :: 2.680 HD1 :: 7.111 HE1 :: 6.955 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 :: 122.812 Ave N Shift Values>> N :: 120.79(4.69) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> CA :: 58.099 CB :: 63.394 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.802 HA :: 4.747 HB2 :: 3.714 HB3 :: 3.714 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 :: 118.339 Ave N Shift Values>> N :: 116.3(3.95) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.344 CB :: 32.528 CG1 :: 20.319 CG2 :: 20.730 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 :: 9.005 HA :: 4.205 HB :: 2.022 HG11 :: 0.737 HG12 :: 0.737 HG13 :: 0.737 HG21 :: 0.465 HG22 :: 0.465 HG23 :: 0.465 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.611 Ave N Shift Values>> N :: 121.02(4.96) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.331 CB :: 70.040 CG2 :: 21.863 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 :: 8.746 HA :: 4.533 HB :: 4.389 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.170 Ave N Shift Values>> N :: 115.7(5.05) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.772 CB :: 69.121 CG2 :: 22.475 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.812 HA :: 4.173 HB :: 4.270 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.517 Ave N Shift Values>> N :: 115.7(5.05) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.24 G 0.05 A 0.04 K 0.01 C Shift Assignments>> CA :: 54.180 CB :: 42.711 CG :: 27.283 CD1 :: 27.131 CD2 :: 23.389 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>> H :: 8.388 HA :: 4.583 HB2 :: 1.579 HB3 :: 1.273 HG :: 1.189 HD11 :: 0.569 HD12 :: 0.569 HD13 :: 0.569 HD21 :: 0.555 HD22 :: 0.555 HD23 :: 0.555 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 :: 123.019 Ave N Shift Values>> N :: 121.98(4.07) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 S 0.23 C Shift Assignments>> CA :: 56.832 CB :: 67.845 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.714 HA :: 4.863 HB2 :: 3.793 HB3 :: 3.624 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.870 Ave N Shift Values>> N :: 116.3(3.95) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.43 M 0.05 K 0.01 C Shift Assignments>> CA :: 59.134 CB :: 30.854 CG :: 37.949 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 :: 8.491 HA :: 3.740 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 2.355 HG3 :: 2.046 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 :: 116.130 Ave N Shift Values>> N :: 120.68(3.68) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.21 K 0.16 D 0.15 F 0.07 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> CA :: 55.156 CB :: 42.579 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 :: 7.936 HA :: 4.650 HB2 :: 2.713 HB3 :: 2.282 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 :: 115.741 Ave N Shift Values>> N :: 120.73(4.2) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 K 0.14 D 0.14 F 0.06 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> CA :: 55.223 CB :: 42.782 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 :: 7.313 HA :: 4.841 HB2 :: 2.832 HB3 :: 2.832 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.945 Ave N Shift Values>> N :: 120.73(4.2) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.989 CB :: 74.287 CG2 :: 22.168 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 :: 9.630 HA :: 5.328 HB :: 4.574 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.918 Ave N Shift Values>> N :: 115.7(5.05) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.626 CB :: 32.149 CG1 :: 24.442 CG2 :: 21.711 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 :: 8.260 HA :: 3.334 HB :: 2.268 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.192 Ave N Shift Values>> N :: 121.02(4.96) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.15 G 0.01 C Shift Assignments>> CA :: 58.592 CB :: 41.716 CG :: 27.024 CD1 :: 25.810 CD2 :: 22.569 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 :: 8.523 HA :: 3.872 HB2 :: 1.727 HB3 :: 1.208 HG :: 1.459 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 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 :: 119.941 Ave N Shift Values>> N :: 121.98(4.07) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.23 K 0.16 I 0.1 L 0.09 D 0.04 R 0.03 C Shift Assignments>> CA :: 58.663 CB :: 40.931 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 :: 7.581 HA :: 4.273 HB2 :: 3.127 HB3 :: 2.514 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.322 Ave N Shift Values>> N :: 120.73(4.2) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.31 K 0.08 HN Overlap>> 1.A63 1.A63 C Shift Assignments>> CA :: 58.772 CB :: 41.225 CG :: 27.837 CD1 :: 23.700 CD2 :: 26.705 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 :: 7.837 HA :: 4.083 HB2 :: 2.377 HB3 :: 1.203 HG :: 1.432 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 122.021 Ave N Shift Values>> N :: 121.98(4.07) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.06 C Shift Assignments>> CA :: 59.787 CB :: 34.297 CG :: 26.295 CD :: 30.301 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 :: 8.467 HA :: 4.520 HB2 :: 1.909 HB3 :: 1.358 HG2 :: 1.501 HG3 :: 1.501 HD2 :: 1.578 HD3 :: 1.412 HE2 :: 2.627 HE3 :: 2.565 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 :: 119.086 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.3 R 0.12 E 0.12 I 0.07 P 0.04 M 0.01 C Shift Assignments>> CA :: 59.663 CB :: 27.806 CG :: 33.829 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 :: 9.049 HA :: 3.932 HB2 :: 2.130 HB3 :: 2.049 HG2 :: 2.477 HG3 :: 2.297 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 :: 119.268 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 F 0.23 Y 0.19 C Shift Assignments>> CA :: 61.967 CB :: 39.374 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.039 HA :: 4.218 HB2 :: 3.158 HB3 :: 3.158 HD1 :: 7.020 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.690 Ave N Shift Values>> N :: 120.69(4.18) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.23 A 0.02 HN Overlap>> 1.S15 1.S15 C Shift Assignments>> CA :: 57.708 CB :: 41.270 CG :: 27.568 CD1 :: 26.420 CD2 :: 22.100 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 :: 8.776 HA :: 3.637 HB2 :: 2.181 HB3 :: 0.745 HG :: 1.826 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.545 HD22 :: 0.545 HD23 :: 0.545 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 :: 118.232 Ave N Shift Values>> N :: 121.98(4.07) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> CA :: 60.116 CB :: 31.701 CG :: 24.887 CD :: 29.513 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 :: 8.237 HA :: 3.802 HB2 :: 2.010 HB3 :: 1.675 HG2 :: 1.203 HG3 :: 0.983 HD2 :: 1.497 HD3 :: 1.373 HE2 :: 2.735 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 65.749 CB :: 68.620 CG2 :: 22.068 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 :: 7.281 HA :: 3.773 HB :: 4.027 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.544 Ave N Shift Values>> N :: 115.7(5.05) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.26 R 0.1 A 0.01 C Shift Assignments>> CA :: 57.015 CB :: 44.003 CG :: 26.566 CD1 :: 25.790 CD2 :: 22.495 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 :: 6.752 HA :: 4.018 HB2 :: 1.118 HB3 :: 1.045 HG :: 1.172 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: 0.620 HD22 :: 0.620 HD23 :: 0.620 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 :: 117.590 Ave N Shift Values>> N :: 121.98(4.07) 1.T36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.756 CB :: 72.343 CG2 :: 20.417 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 :: 7.675 HA :: 3.967 HB :: 2.435(S) HG21 :: 0.126(S) HG22 :: 0.126(S) HG23 :: 0.126(S) 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 :: 104.865 Ave N Shift Values>> N :: 115.7(5.05) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.559 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.971 HA2 :: 4.039 HA3 :: 3.532 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.795 Ave N Shift Values>> N :: 109.91(4.29) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.437 CB :: 31.390 CG1 :: 22.264 CG2 :: 22.061 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 :: 7.533 HA :: 3.638 HB :: 1.175 HG11 :: 0.598 HG12 :: 0.598 HG13 :: 0.598 HG21 :: 0.041 HG22 :: 0.041 HG23 :: 0.041 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 :: 122.557 Ave N Shift Values>> N :: 121.02(4.96) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 A 0.09 R 0.03 C Shift Assignments>> CA :: 54.437 CB :: 40.557 CG :: 27.462 CD1 :: 25.515 CD2 :: 22.806 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 :: 8.634 HA :: 3.994 HB2 :: 1.588 HB3 :: 1.322 HG :: 1.748 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 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 :: 127.828 Ave N Shift Values>> N :: 121.98(4.07) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.989 CB :: 32.322 CG :: 27.880 CD :: 50.532 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 :: 3.839 HB2 :: 1.863 HB3 :: 1.863 HG2 :: 2.155 HG3 :: 1.500 HD2 :: 3.519 HD3 :: 3.519 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.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.38 K 0.09 Q 0.01 M 0.01 C Shift Assignments>> CA :: 58.938 CB :: 28.824 CG :: 36.788 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.746 HA :: 4.071 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 2.205 HG3 :: 2.205 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 :: 114.752 Ave N Shift Values>> N :: 120.68(3.68) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.37 M 0.08 Q 0.05 C Shift Assignments>> CA :: 55.448 CB :: 31.105 CG :: 28.081 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.938 HA :: 4.315 HB2 :: 2.132 HB3 :: 1.731 HG2 :: 1.620 HG3 :: 1.433 HD2 :: 3.192 HD3 :: 3.192 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 :: 118.145 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.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 Q 0.31 E 0.16 K 0.16 R 0.01 C Shift Assignments>> CA :: 56.537 CB :: 30.992 CG :: 33.714 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 :: 7.034 HA :: 4.251 HB2 :: 1.642 HB3 :: 1.642 HG2 :: 2.260 HG3 :: 1.846 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 :: 118.250 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.09 C Shift Assignments>> CA :: 55.552 CB :: 34.325 CG :: 25.132 CD :: 29.805 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 :: 8.806 HA :: 4.464 HB2 :: 1.672 HB3 :: 1.672 HG2 :: 1.351 HG3 :: 1.205 HD2 :: 1.626 HD3 :: 1.626 HE2 :: 2.868 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 :: 122.693 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.26 A 0.05 G 0.01 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> CA :: 53.542 CB :: 41.821 CD1 :: 26.893 CD2 :: 23.357 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 :: 8.704 HA :: 4.943 HB2 :: 1.810 HB3 :: 1.040 HG :: 1.444 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 HD21 :: 0.655 HD22 :: 0.655 HD23 :: 0.655 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.806 Ave N Shift Values>> N :: 121.98(4.07) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.25 G 0.03 A 0.01 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> CA :: 55.759 CB :: 42.526 CG :: 27.850 CD1 :: 25.437 CD2 :: 23.705 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 :: 8.751 HA :: 4.358 HB2 :: 1.710 HB3 :: 1.552 HG :: 1.573 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.709 Ave N Shift Values>> N :: 121.98(4.07) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.560 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.300 HA2 :: 4.167 HA3 :: 3.651 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.276 Ave N Shift Values>> N :: 109.91(4.29) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 A 0.01 C Shift Assignments>> CA :: 53.945 CB :: 41.414 CG :: 26.780 CD1 :: 26.385 CD2 :: 24.095 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 :: 7.581 HA :: 4.590 HB2 :: 1.791 HB3 :: 1.222 HG :: 1.424 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.743 HD22 :: 0.743 HD23 :: 0.743 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 :: 119.707 Ave N Shift Values>> N :: 121.98(4.07) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 M 0.09 L 0.08 C Shift Assignments>> CA :: 55.663 CB :: 37.581 CG :: 25.451 CD :: 29.855 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.606 HA :: 4.852 HB2 :: 1.543 HB3 :: 1.318 HG2 :: 1.117 HG3 :: 0.929 HD2 :: 1.373 HD3 :: 1.373 HE2 :: 2.761 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 :: 124.527 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 M 0.05 I 0.02 C Shift Assignments>> CA :: 61.865 CB :: 34.734 CG2 :: 21.316 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 :: 8.799 HA :: 4.113 HB :: 1.882 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 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 :: 119.184 Ave N Shift Values>> N :: 121.02(4.96) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> CA :: 57.407 CB :: 30.655 CG :: 25.703 CD :: 29.363 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.451 HA :: 3.824 HB2 :: 1.932 HB3 :: 1.748 HG2 :: 1.373 HG3 :: 1.373 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.907 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.069 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.810 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.512 HA2 :: 4.096 HA3 :: 3.498 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.671 Ave N Shift Values>> N :: 109.91(4.29) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> CA :: 53.616 CB :: 33.940 CG :: 24.975 CD :: 29.251 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 :: 4.829 HB2 :: 1.808 HB3 :: 1.654 HG2 :: 1.415 HG3 :: 1.364 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.944 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.307 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.817 CB :: 32.151 CG :: 28.450 CD :: 50.874 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 :: 4.376 HB2 :: 2.329 HB3 :: 1.799 HG2 :: 2.111 HG3 :: 1.911 HD2 :: 3.831 HD3 :: 3.540 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.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 L 0.02 C Shift Assignments>> CA :: 52.664 CB :: 20.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.114 HA :: 4.138 HB1 :: 1.107 HB2 :: 1.107 HB3 :: 1.107 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.654 Ave N Shift Values>> N :: 123.23(3.7) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.24 I 0.05 K 0.04 Q 0.02 C Shift Assignments>> CA :: 56.089 CB :: 31.086 CG :: 36.809 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 :: 8.179 HA :: 4.215 HB2 :: 2.264 HB3 :: 1.911 HG2 :: 2.372 HG3 :: 2.288 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 :: 122.313 Ave N Shift Values>> N :: 120.68(3.68) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.22 Y 0.2 F 0.18 L 0.08 I 0.02 E 0.02 C Shift Assignments>> CA :: 55.199 CB :: 39.227 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 :: 8.504 HA :: 4.229 HB2 :: 2.792 HB3 :: 2.631 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 :: 115.140 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.26 L 0.14 F 0.09 Y 0.08 K 0.04 C Shift Assignments>> CA :: 53.608 CB :: 40.304 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 :: 8.198 HA :: 4.488 HB2 :: 2.741 HB3 :: 2.522 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 :: 112.832 Ave N Shift Values>> N :: 120.73(4.2) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 63.840 CB :: 32.322 CG1 :: 24.794 CG2 :: 21.657 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 :: 7.353 HA :: 3.593 HB :: 2.024 HG11 :: 0.975 HG12 :: 0.975 HG13 :: 0.975 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 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 :: 122.073 Ave N Shift Values>> N :: 121.02(4.96) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.06 C Shift Assignments>> CA :: 56.185 CB :: 33.105 CG :: 26.283 CD :: 29.890 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 :: 8.339 HA :: 4.447 HB2 :: 2.066 HB3 :: 1.694 HG2 :: 1.540 HG3 :: 1.317 HD2 :: 1.626 HD3 :: 1.626 HE2 :: 2.962 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.064 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 K 0.01 A 0.01 C Shift Assignments>> CA :: 57.987 CB :: 40.832 CG :: 27.807 CD1 :: 26.090 CD2 :: 22.557 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 :: 9.423 HA :: 3.776 HB2 :: 1.754 HB3 :: 1.044 HG :: 1.392 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.509 HD22 :: 0.509 HD23 :: 0.509 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 :: 121.612 Ave N Shift Values>> N :: 121.98(4.07) 1.G62 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>> CA :: 46.772 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.107 HA2 :: 3.994 HA3 :: 3.865 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.008 Ave N Shift Values>> N :: 109.91(4.29) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.3 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> CA :: 53.421 CB :: 18.816 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.755 HA :: 4.273 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.025 Ave N Shift Values>> N :: 123.23(3.7) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.29 K 0.03 G 0.02 A 0.01 C Shift Assignments>> CA :: 55.567 CB :: 42.136 CG :: 26.740 CD1 :: 27.496 CD2 :: 23.924 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 :: 7.214 HA :: 4.068 HB2 :: 1.492 HB3 :: 1.862 HG :: 1.646 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.594 HD22 :: 0.594 HD23 :: 0.594 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.454 Ave N Shift Values>> N :: 121.98(4.07) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.05 L 0.02 C Shift Assignments>> CA :: 56.737 CB :: 29.307 CG :: 25.112 CD :: 29.560 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 :: 7.642 HA :: 3.838 HB2 :: 1.917 HB3 :: 1.745 HG2 :: 1.320 HG3 :: 1.248 HD2 :: 1.637 HD3 :: 1.596 HE2 :: 2.927 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.830 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.13 G 0.05 A 0.03 C Shift Assignments>> CA :: 54.847 CB :: 42.712 CG :: 26.925 CD1 :: 25.611 CD2 :: 23.347 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 :: 8.516 HA :: 4.163 HB2 :: 1.580 HB3 :: 1.229 HG :: 1.517 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 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 :: 119.305 Ave N Shift Values>> N :: 121.98(4.07) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.3 M 0.08 Q 0.05 C Shift Assignments>> CA :: 54.152 CB :: 31.999 CG :: 25.343 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 :: 7.955 HA :: 4.497 HB2 :: 1.720 HB3 :: 1.537 HG2 :: 1.522 HG3 :: 1.426 HE2 :: 2.936 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.389 CB :: 32.214 CG :: 28.240 CD :: 50.767 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 :: 4.169 HB2 :: 2.184 HB3 :: 1.796 HG2 :: 2.075 HG3 :: 1.956 HD2 :: 3.774 HD3 :: 3.544 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.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 E 0.23 Y 0.18 F 0.09 M 0.08 D 0.04 K 0.03 I 0.02 C Shift Assignments>> CA :: 55.021 CB :: 37.047 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 :: 8.966 HA :: 3.962 HB2 :: 2.869 HB3 :: 2.791 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 :: 115.414 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 65.247 CB :: 70.132 CG2 :: 21.760 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 :: 7.712 HA :: 3.949 HB :: 3.988 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.426 Ave N Shift Values>> N :: 115.7(5.05) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 M 0.1 C Shift Assignments>> CA :: 55.340 CB :: 33.729 CG :: 25.792 CD :: 30.205 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 :: 8.284 HA :: 5.179 HB2 :: 1.670 HB3 :: 1.398 HG2 :: 1.358 HG3 :: 1.080 HD2 :: 1.514 HD3 :: 1.450 HE2 :: 2.744 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 :: 124.603 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.636 CB :: 40.827 CG1 :: 27.209 CG2 :: 17.952 CD1 :: 14.373 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.142 HA :: 4.511 HB :: 1.957 HG12 :: 1.325 HG13 :: 1.060 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.505 Ave N Shift Values>> N :: 121.6(4.72) 1.M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.24 Q 0.1 K 0.01 C Shift Assignments>> CA :: 54.949 CB :: 35.143 CG :: 32.963 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.556 HA :: 5.122 HB2 :: 2.009 HB3 :: 2.009 HG2 :: 2.584 HG3 :: 2.487 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.090 Ave N Shift Values>> N :: 120.1(3.88) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 E 0.37 Q 0.02 C Shift Assignments>> CA :: 54.862 CB :: 36.294 CG :: 33.265 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.924 HA :: 5.288 HB2 :: 1.908 HB3 :: 1.532 HG2 :: 2.260 HG3 :: 2.087 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.481 Ave N Shift Values>> N :: 120.1(3.88) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.29 Q 0.07 K 0.01 C Shift Assignments>> CA :: 54.265 CB :: 35.566 CG :: 32.629 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 :: 9.112 HA :: 5.093 HB2 :: 2.180 HB3 :: 1.934 HG2 :: 2.583 HG3 :: 2.512 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.963 Ave N Shift Values>> N :: 120.1(3.88) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.901 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.711 HA2 :: 4.233 HA3 :: 4.233 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.773 Ave N Shift Values>> N :: 109.91(4.29) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.728 CB :: 71.481 CG2 :: 22.167 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 :: 8.280 HA :: 4.787 HB :: 4.207 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.345 Ave N Shift Values>> N :: 115.7(5.05) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 K 0.37 Q 0.11 M 0.06 C Shift Assignments>> CA :: 56.881 CB :: 31.607 CG :: 27.820 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 :: 8.852 HA :: 4.148 HB2 :: 1.864 HB3 :: 1.755 HG2 :: 1.629 HG3 :: 1.555 HD2 :: 3.263 HD3 :: 3.263 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.844 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.E79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 K 0.28 R 0.17 Q 0.04 HN Overlap>> 1.I5 1.I5 C Shift Assignments>> CA :: 57.007 CB :: 30.764 CG :: 30.878(S) 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 :: 8.300 HA :: 4.206 HB2 :: 2.027 HB3 :: 1.869 HG2 :: 2.209 HG3 :: 2.209 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 :: 122.181 Ave N Shift Values>> N :: 120.68(3.68) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 R 0.18 E 0.16 K 0.13 M 0.12 Q 0.09 V 0.06 I 0.03 C Shift Assignments>> CA :: 58.328 CB :: 31.287 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.015 HA :: 4.049 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.965 Ave N Shift Values>> N :: 120.68(3.68) 1.S81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 80 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 257 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 561 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 77 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T36 HB = 2.435(S), Expected = 4.17, Std = 0.3700, ChiSquare = 2.7429e-06 1.T36 HG21 = 0.126(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.2175e-04 1.T36 HG22 = 0.126(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.2175e-04 1.T36 HG23 = 0.126(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.2175e-04 1.E79 CG = 30.878(S), Expected = 36.01, Std = 1.5100, ChiSquare = 6.7713e-04