Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 K 0.2 E 0.19 M 0.05 R 0.02 I 0.02 C Shift Assignments>> C :: 177.510 CA :: 57.577 CB :: 29.224 CG :: 34.522 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 :: 8.300 HA :: 4.231 HB2 :: 2.179 HB3 :: 2.179 HG2 :: 2.421 HG3 :: 2.421 HE21 :: 7.529 HE22 :: 6.982 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 :: 120.127 NE2 :: 112.341 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.39 G 0.13 K 0.06 C Shift Assignments>> C :: 177.916 CA :: 60.682 CB :: 29.910 CG :: 28.573 CD :: 43.414 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 :: 8.555 HA :: 3.580 HB2 :: 1.978 HB3 :: 1.873 HG2 :: 1.890 HG3 :: 1.584 HD2 :: 3.326 HD3 :: 3.173 HE :: 7.076 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 :: 122.482 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.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.27 K 0.05 Q 0.01 M 0.01 HN Overlap>> 1.S81 1.S81 C Shift Assignments>> C :: 178.113 CA :: 59.898 CB :: 29.326 CG :: 36.485 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 :: 8.477 HA :: 3.932 HB2 :: 2.123 HB3 :: 2.027 HG2 :: 2.335 HG3 :: 2.266 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 :: 116.995 Ave N Shift Values>> N :: 120.68(3.68) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.17 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.475 CA :: 59.039 CB :: 29.469 CG :: 36.282 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 :: 7.560 HA :: 4.033 HB2 :: 2.125 HB3 :: 2.073 HG2 :: 2.338 HG3 :: 2.234 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 :: 118.887 Ave N Shift Values>> N :: 120.68(3.68) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.47 A 0.04 HN Overlap>> 1.V23 1.V23 C Shift Assignments>> C :: 179.312 CA :: 57.570 CB :: 31.852 CG :: 31.898 CE :: 18.172 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 :: 7.650 HA :: 4.267 HB2 :: 1.760 HB3 :: 1.450 HG2 :: 2.127 HG3 :: 2.127 HE1 :: 1.870 HE2 :: 1.870 HE3 :: 1.870 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 :: 120.007 Ave N Shift Values>> N :: 120.1(3.88) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 177.686 CA :: 67.081 CB :: 31.953 CG1 :: 20.821 CG2 :: 22.958 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 :: 8.465 HA :: 3.281 HB :: 2.095 HG11 :: 0.731 HG12 :: 0.731 HG13 :: 0.731 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 121.244 Ave N Shift Values>> N :: 121.02(4.96) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.19 M 0.01 C Shift Assignments>> C :: 177.867 CA :: 59.923 CB :: 32.511 CG :: 25.633 CD :: 29.453 CE :: 41.921 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 :: 7.441 HA :: 3.850 HB2 :: 1.872 HB3 :: 1.872 HG2 :: 1.591 HG3 :: 1.388 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.927 HE3 :: 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 :: 117.948 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 179.837 CA :: 59.681 CB :: 33.052 CG :: 25.403 CD :: 29.872 CE :: 42.221 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 :: 7.923 HA :: 3.994 HB2 :: 2.064 HB3 :: 1.931 HG2 :: 1.625 HG3 :: 1.568 HD2 :: 1.786 HD3 :: 1.786 HE2 :: 3.079 HE3 :: 3.024 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 :: 122.346 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.3 C 0.1 R 0.04 W 0.02 K 0.02 V 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 178.970 CA :: 62.060 CB :: 26.256 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.679 HA :: 3.621 HB2 :: 2.603 HB3 :: 1.595 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.062 Ave N Shift Values>> N :: 119.95(4.79) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.43 R 0.09 C Shift Assignments>> C :: 176.341 CA :: 58.437 CB :: 41.417 CG :: 27.031 CD1 :: 22.983 CD2 :: 26.053 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 :: 8.829 HA :: 3.935 HB2 :: 2.015 HB3 :: 1.333 HG :: 1.515 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 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 :: 119.878 Ave N Shift Values>> N :: 121.98(4.07) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 170.417 CA :: 47.618 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.988 HA2 :: 4.037 HA3 :: 3.893 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.542 Ave N Shift Values>> N :: 109.91(4.29) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.3 E 0.27 M 0.02 C Shift Assignments>> C :: 176.310 CA :: 60.050 CB :: 30.739 CG :: 37.536 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 :: 7.904 HA :: 4.172 HB2 :: 2.389 HB3 :: 2.118 HG2 :: 2.559 HG3 :: 2.282 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 :: 122.887 Ave N Shift Values>> N :: 120.68(3.68) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 C 0.32 R 0.22 G 0.11 C Shift Assignments>> C :: 170.237 CA :: 57.653 CB :: 43.539 CG :: 26.798 CD1 :: 27.348 CD2 :: 24.416 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 :: 9.493 HA :: 4.092 HB2 :: 1.392 HB3 :: 2.084 HG :: 2.015 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.121 Ave N Shift Values>> N :: 121.98(4.07) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 179.205 CA :: 68.341 CB :: 68.359 CG2 :: 20.676 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 :: 8.442 HA :: 3.731 HB :: 4.438 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 117.225 Ave N Shift Values>> N :: 115.7(5.05) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.19 K 0.09 Q 0.04 M 0.01 C Shift Assignments>> C :: 175.811 CA :: 59.547 CB :: 29.201 CG :: 35.986 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 :: 7.662 HA :: 3.973 HB2 :: 2.164 HB3 :: 2.164 HG2 :: 2.384 HG3 :: 2.170 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 :: 120.546 Ave N Shift Values>> N :: 120.68(3.68) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 179.770 CA :: 66.504 CB :: 31.755 CG1 :: 21.766 CG2 :: 24.097 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 :: 8.295 HA :: 3.946 HB :: 2.357 HG11 :: 1.040 HG12 :: 1.040 HG13 :: 1.040 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 121.092 Ave N Shift Values>> N :: 121.02(4.96) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.42 C 0.04 C Shift Assignments>> C :: 178.575 CA :: 65.106 CB :: 26.491 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.403 HA :: 4.202 HB2 :: 3.268 HB3 :: 3.088 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.117 Ave N Shift Values>> N :: 119.95(4.79) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.22 Q 0.11 R 0.09 M 0.08 P 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 177.094 CA :: 60.569 CB :: 32.361 CD :: 29.687 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 :: 8.236 HA :: 3.886 HB2 :: 1.844 HB3 :: 1.731 HG2 :: 1.393 HG3 :: 1.393 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.920 HE3 :: 2.920 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 :: 120.574 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 180.006 CA :: 62.207 CB :: 62.374 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.161 HA :: 4.249 HB2 :: 4.114 HB3 :: 4.060 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 :: 117.786 Ave N Shift Values>> N :: 116.3(3.95) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.32 R 0.15 G 0.03 C Shift Assignments>> C :: 177.324 CA :: 57.770 CB :: 42.588 CG :: 26.876 CD1 :: 26.423 CD2 :: 23.317 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 :: 8.676 HA :: 4.244 HB2 :: 2.064 HB3 :: 1.377 HG :: 2.043 HD11 :: 1.044 HD12 :: 1.044 HD13 :: 1.044 HD21 :: 1.189 HD22 :: 1.189 HD23 :: 1.189 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 :: 123.037 Ave N Shift Values>> N :: 121.98(4.07) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.27 P 0.13 A 0.06 N 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 179.265 CA :: 47.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.655 HA2 :: 3.765 HA3 :: 3.722 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.961 Ave N Shift Values>> N :: 109.91(4.29) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 C Shift Assignments>> C :: 176.042 CA :: 59.270 CB :: 32.349 CG :: 25.304 CD :: 29.242 CE :: 42.052 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 :: 7.515 HA :: 4.172 HB2 :: 2.029 HB3 :: 2.029 HG2 :: 1.632 HG3 :: 1.487 HD2 :: 1.735 HD3 :: 1.735 HE2 :: 2.984 HE3 :: 2.984 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 :: 120.595 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.M5 1.M5 C Shift Assignments>> C :: 179.460 CA :: 66.174 CB :: 32.133 CG1 :: 22.372 CG2 :: 20.671 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 :: 7.745 HA :: 3.626 HB :: 2.086 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 0.420 HG22 :: 0.420 HG23 :: 0.420 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 :: 120.053 Ave N Shift Values>> N :: 121.02(4.96) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.28 C 0.27 C Shift Assignments>> C :: 178.243 CA :: 59.714 CB :: 39.570 CD1 :: 131.815 CE1 :: 130.499 CZ :: 132.150 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 :: 8.338 HA :: 4.518 HB2 :: 3.445 HB3 :: 2.827 HD1 :: 7.565 HD2 :: 7.565 HE1 :: 7.120 HE2 :: 7.120 HZ :: 7.299 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.484 Ave N Shift Values>> N :: 120.69(4.18) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 HN Overlap>> 1.T34 1.T34 C Shift Assignments>> C :: 175.787 CA :: 47.102 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.034 HA2 :: 3.975 HA3 :: 3.975 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.559 Ave N Shift Values>> N :: 109.91(4.29) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.09 I 0.03 A 0.02 C Shift Assignments>> C :: 174.844 CA :: 58.669 CB :: 36.119 CG1 :: 18.823 CG2 :: 21.546 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.368 HA :: 4.649 HB :: 2.107 HG11 :: 0.692 HG12 :: 0.692 HG13 :: 0.692 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 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 :: 112.575 Ave N Shift Values>> N :: 121.02(4.96) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.31 C 0.31 C Shift Assignments>> C :: 175.148 CA :: 58.058 CB :: 30.436 CD2 :: 122.030 CE1 :: 138.307 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.450 HA :: 4.544 HB2 :: 3.220 HB3 :: 3.220 HD2 :: 7.103 HE1 :: 7.973 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 :: 121.788 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.45 C Shift Assignments>> C :: 179.533 CA :: 60.821 CB :: 37.455 CD1 :: 133.725 CE1 :: 118.284 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 :: 8.323 HA :: 4.020 HB2 :: 2.958 HB3 :: 2.889 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 6.756 HE2 :: 6.756 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.373 Ave N Shift Values>> N :: 120.79(4.69) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.4 Y 0.32 F 0.25 C Shift Assignments>> CA :: 56.325 CB :: 37.034 CD1 :: 132.314 CE1 :: 130.473 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 :: 7.845 HA :: 4.739 HB2 :: 3.135 HB3 :: 2.881 HD1 :: 7.296 HD2 :: 7.296 HE1 :: 6.844 HE2 :: 6.844 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.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.19 D 0.15 Y 0.13 F 0.1 L 0.03 E 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 177.069 CA :: 54.391 CB :: 38.563 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 :: 8.079 HA :: 4.569 HB2 :: 2.878 HB3 :: 2.687 HD21 :: 7.450 HD22 :: 7.238 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.572 ND2 :: 112.526 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.932 CA :: 62.782 CB :: 35.191 CG1 :: 26.343 CG2 :: 16.396 CD1 :: 11.109 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 :: 7.494 HA :: 3.376 HB :: 2.013 HG12 :: 1.186 HG13 :: 0.671 HG21 :: -0.039 HG22 :: -0.039 HG23 :: -0.039 HD11 :: 0.216 HD12 :: 0.216 HD13 :: 0.216 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 :: 122.859 Ave N Shift Values>> N :: 121.6(4.72) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 G 0.25 F 0.21 Y 0.2 C Shift Assignments>> C :: 173.704 CA :: 56.781 CB :: 43.825 CD1 :: 133.107 CE1 :: 130.468 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 :: 7.097 HA :: 4.975 HB2 :: 2.920 HB3 :: 2.754 HD1 :: 7.343 HD2 :: 7.343 HE1 :: 7.128 HE2 :: 7.128 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.958 Ave N Shift Values>> N :: 120.69(4.18) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.17 D 0.12 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 173.330 CA :: 51.753 CB :: 38.313 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 :: 8.644 HA :: 4.620 HB2 :: 3.199 HB3 :: 2.905 HD21 :: 7.645 HD22 :: 6.908 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.815 ND2 :: 112.495 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.G25 1.G25 C Shift Assignments>> C :: 175.194 CA :: 66.897 CB :: 68.486 CG2 :: 22.422 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 :: 7.935 HA :: 3.867 HB :: 4.058 HG21 :: 1.284 HG22 :: 1.284 HG23 :: 1.284 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 :: 111.599 Ave N Shift Values>> N :: 115.7(5.05) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 176.453 CA :: 66.359 CB :: 31.400 CG1 :: 21.105 CG2 :: 22.368 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 :: 7.778 HA :: 3.683 HB :: 2.091 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.994 HG22 :: 0.994 HG23 :: 0.994 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 :: 121.704 Ave N Shift Values>> N :: 121.02(4.96) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.W79 1.W79 C Shift Assignments>> C :: 178.073 CA :: 67.653 CB :: 68.690 CG2 :: 23.010 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 :: 8.183 HA :: 3.810 HB :: 4.150 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.592 Ave N Shift Values>> N :: 115.7(5.05) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.12 G 0.02 C Shift Assignments>> C :: 176.143 CA :: 58.769 CB :: 42.345 CG :: 27.029 CD1 :: 25.862 CD2 :: 24.512 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 :: 8.741 HA :: 3.751 HB2 :: 1.946 HB3 :: 1.235 HG :: 1.767 HD11 :: 1.051 HD12 :: 1.051 HD13 :: 1.051 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.860 Ave N Shift Values>> N :: 121.98(4.07) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 177.977 CA :: 60.423 CB :: 32.196 CG :: 25.639 CD :: 29.541 CE :: 41.962 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 :: 7.794 HA :: 3.881 HB2 :: 1.992 HB3 :: 1.919 HG2 :: 1.531 HG3 :: 1.393 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.928 HE3 :: 2.928 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 :: 117.707 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.27 R 0.12 Q 0.11 I 0.02 P 0.02 V 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 178.417 CA :: 59.308 CB :: 33.316 CG :: 25.956 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 :: 7.678 HA :: 4.061 HB2 :: 1.989 HB3 :: 1.820 HG2 :: 1.685 HG3 :: 1.542 HD2 :: 1.765 HD3 :: 1.765 HE2 :: 2.935 HE3 :: 2.935 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 :: 118.297 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.32 R 0.09 G 0.05 HN Overlap>> 1.C9 1.C9 C Shift Assignments>> C :: 170.545 CA :: 58.209 CB :: 42.937 CG :: 26.820 CD1 :: 25.233 CD2 :: 25.142 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 :: 8.742 HA :: 3.774 HB2 :: 2.008 HB3 :: 0.990 HG :: 1.478 HD11 :: 0.093 HD12 :: 0.093 HD13 :: 0.093 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 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 :: 122.059 Ave N Shift Values>> N :: 121.98(4.07) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.36 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 179.239 CA :: 55.283 CB :: 18.517 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.198 HA :: 3.968 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.846 Ave N Shift Values>> N :: 123.23(3.7) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.16 K 0.04 M 0.04 Q 0.01 C Shift Assignments>> C :: 177.482 CA :: 58.477 CB :: 29.994 CG :: 36.892 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 :: 8.161 HA :: 3.937 HB2 :: 2.074 HB3 :: 1.970 HG2 :: 2.441 HG3 :: 2.295 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 112.830 Ave N Shift Values>> N :: 120.68(3.68) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S71 1.S71 C Shift Assignments>> C :: 179.077 CA :: 61.320 CB :: 63.356 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.599 HA :: 4.061 HB2 :: 3.931 HB3 :: 3.821 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.986 Ave N Shift Values>> N :: 116.3(3.95) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.43 R 0.01 A 0.01 C Shift Assignments>> C :: 174.743 CA :: 56.251 CB :: 40.147 CG :: 25.630 CD1 :: 27.032 CD2 :: 23.590 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 :: 7.382 HA :: 3.628 HB2 :: 1.897 HB3 :: 1.705 HG :: 1.862 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.703 HD22 :: 0.703 HD23 :: 0.703 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.979 Ave N Shift Values>> N :: 121.98(4.07) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.519 CA :: 57.183 CB :: 64.994 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.075 HA :: 4.591 HB2 :: 3.652 HB3 :: 3.482 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.913 Ave N Shift Values>> N :: 116.3(3.95) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.482 CA :: 56.177 CB :: 64.253 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.327 HA :: 4.522 HB2 :: 4.261 HB3 :: 3.328 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 :: 115.610 Ave N Shift Values>> N :: 116.3(3.95) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 C 0.15 N 0.11 R 0.06 K 0.05 G 0.05 F 0.02 Y 0.02 C Shift Assignments>> C :: 172.737 CA :: 50.910 CB :: 42.193 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 :: 8.190 HA :: 4.907 HB2 :: 2.873 HB3 :: 2.563 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.701 Ave N Shift Values>> N :: 120.73(4.2) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 65.844 CB :: 32.480 CG :: 27.820 CD :: 51.383 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 :: 3.944 HB2 :: 2.266 HB3 :: 2.041 HG2 :: 2.182 HG3 :: 1.914 HD2 :: 4.320 HD3 :: 4.016 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.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.25 K 0.04 M 0.01 C Shift Assignments>> C :: 176.620 CA :: 59.360 CB :: 29.584 CG :: 36.952 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 :: 8.189 HA :: 3.929 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.341 HG3 :: 2.192 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 :: 113.851 Ave N Shift Values>> N :: 120.68(3.68) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 179.674 CA :: 65.362 CB :: 32.310 CG1 :: 22.399 CG2 :: 21.005 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 :: 7.271 HA :: 3.647 HB :: 2.398 HG11 :: 0.967 HG12 :: 0.967 HG13 :: 0.967 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 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 :: 119.918 Ave N Shift Values>> N :: 121.02(4.96) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.41 R 0.02 A 0.01 C Shift Assignments>> C :: 179.363 CA :: 57.956 CB :: 41.462 CG :: 26.353 CD1 :: 24.889 CD2 :: 21.913 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 :: 8.002 HA :: 3.864 HB2 :: 1.717 HB3 :: 1.144 HG :: 1.660 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 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.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.33 R 0.13 G 0.01 C Shift Assignments>> C :: 178.429 CA :: 56.569 CB :: 42.003 CG :: 27.666 CD1 :: 23.634 CD2 :: 25.246 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 :: 8.076 HA :: 3.983 HB2 :: 1.691 HB3 :: 1.556 HG :: 1.692 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 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 :: 113.672 Ave N Shift Values>> N :: 121.98(4.07) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.11 R 0.05 M 0.04 C Shift Assignments>> C :: 177.571 CA :: 55.515 CB :: 28.903 CG :: 34.012 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 :: 7.269 HA :: 4.329 HB2 :: 2.377 HB3 :: 2.034 HG2 :: 2.541 HG3 :: 2.367 HE21 :: 7.513 HE22 :: 6.858 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 :: 115.075 NE2 :: 112.827 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.281 CA :: 61.690 CB :: 37.753 CG1 :: 28.314 CG2 :: 18.095 CD1 :: 14.169 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 :: 7.806 HA :: 3.858 HB :: 2.129 HG12 :: 1.786 HG13 :: 0.914 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 123.639 Ave N Shift Values>> N :: 121.6(4.72) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 L 0.17 F 0.14 D 0.14 C 0.12 Y 0.12 R 0.05 N 0.02 I 0.01 C Shift Assignments>> C :: 175.997 CA :: 56.444 CB :: 41.226 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 :: 8.515 HA :: 4.331 HB2 :: 2.608 HB3 :: 2.582 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.806 Ave N Shift Values>> N :: 120.73(4.2) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 176.456 CA :: 45.206 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.753 HA2 :: 4.379 HA3 :: 3.719 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.824 Ave N Shift Values>> N :: 109.91(4.29) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 174.112 CA :: 63.752 CB :: 30.395 CG1 :: 22.222 CG2 :: 22.715 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 :: 8.351 HA :: 4.121 HB :: 2.698 HG11 :: 0.623 HG12 :: 0.623 HG13 :: 0.623 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 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 :: 122.638 Ave N Shift Values>> N :: 121.02(4.96) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.44 A 0.01 C Shift Assignments>> C :: 174.411 CA :: 58.557 CB :: 72.176 CG2 :: 22.120 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 :: 6.491 HA :: 4.782 HB :: 4.674 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 1.225 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 :: 112.752 Ave N Shift Values>> N :: 115.7(5.05) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.31 E 0.18 K 0.01 C Shift Assignments>> C :: 175.071 CA :: 60.827 CB :: 29.348 CG :: 37.464 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 :: 9.551 HA :: 3.916 HB2 :: 2.108 HB3 :: 2.108 HG2 :: 2.417 HG3 :: 2.367 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 :: 122.571 Ave N Shift Values>> N :: 120.68(3.68) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 K 0.18 Y 0.15 L 0.14 C 0.13 D 0.1 R 0.04 I 0.03 N 0.01 C Shift Assignments>> C :: 178.886 CA :: 57.207 CB :: 41.091 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 :: 8.569 HA :: 4.386 HB2 :: 2.612 HB3 :: 2.550 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 :: 117.897 Ave N Shift Values>> N :: 120.73(4.2) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.39 K 0.15 G 0.02 C Shift Assignments>> C :: 178.331 CA :: 59.788 CB :: 34.191 CG :: 27.157 CD :: 29.877 CE :: 42.395 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 :: 7.593 HA :: 3.900 HB2 :: 2.037 HB3 :: 1.883 HG2 :: 1.767 HG3 :: 1.394 HD2 :: 1.775 HD3 :: 1.775 HE2 :: 3.094 HE3 :: 3.042 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 :: 117.876 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.46 R 0.02 A 0.01 C Shift Assignments>> C :: 179.129 CA :: 57.497 CB :: 40.627 CG :: 26.937 CD1 :: 22.509 CD2 :: 25.332 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 :: 8.295 HA :: 4.067 HB2 :: 1.884 HB3 :: 1.618 HG :: 1.795 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 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 :: 118.370 Ave N Shift Values>> N :: 121.98(4.07) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.844 CA :: 59.687 CB :: 29.585 CG :: 36.335 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 :: 8.271 HA :: 4.039 HB2 :: 2.154 HB3 :: 2.092 HG2 :: 2.346 HG3 :: 2.220 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 :: 121.236 Ave N Shift Values>> N :: 120.68(3.68) 1.K64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.17 M 0.01 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 178.428 CA :: 59.113 CB :: 33.149 CG :: 25.484 CD :: 29.089 CE :: 41.821 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 :: 7.485 HA :: 3.918 HB2 :: 0.839(S) HB3 :: 0.650(S) HG2 :: 1.165 HG3 :: 0.831 HD2 :: 1.187 HD3 :: 1.187 HE2 :: 2.672 HE3 :: 2.672 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 :: 117.103 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 178.271 CA :: 55.469 CB :: 40.196 CD1 :: 133.032 CE1 :: 117.832 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 :: 8.145 HA :: 5.094 HB2 :: 3.397 HB3 :: 2.641 HD1 :: 6.723 HD2 :: 6.723 HE1 :: 6.073 HE2 :: 6.073 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.677 Ave N Shift Values>> N :: 120.79(4.69) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.3 G 0.26 C 0.23 A 0.1 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 176.656 CA :: 48.228 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.922 HA2 :: 3.692 HA3 :: 4.252 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.791 Ave N Shift Values>> N :: 109.91(4.29) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.17 I 0.1 C 0.03 V 0.01 C Shift Assignments>> C :: 174.993 CA :: 56.279 CB :: 17.759 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.731 HA :: 4.072 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.336 Ave N Shift Values>> N :: 123.23(3.7) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.34 E 0.26 K 0.02 M 0.01 C Shift Assignments>> C :: 171.112 CA :: 59.935 CB :: 29.575 CG :: 37.344 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 :: 8.886 HA :: 4.179 HB2 :: 2.211 HB3 :: 2.083 HG2 :: 2.556 HG3 :: 2.416 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 :: 117.142 Ave N Shift Values>> N :: 120.68(3.68) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.349 CA :: 66.284 CB :: 32.609 CG1 :: 21.091 CG2 :: 21.984 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 :: 7.498 HA :: 3.736 HB :: 2.148 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 117.357 Ave N Shift Values>> N :: 121.02(4.96) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.681 CA :: 65.724 CB :: 36.928 CG1 :: 31.020 CG2 :: 17.803 CD1 :: 12.636 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 :: 9.315 HA :: 3.629 HB :: 2.028 HG12 :: 1.641 HG13 :: 0.985 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 HD11 :: 0.775 HD12 :: 0.775 HD13 :: 0.775 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.457 Ave N Shift Values>> N :: 121.6(4.72) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 177.428 CA :: 61.936 CB :: 62.942 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.652 HA :: 4.260 HB2 :: 4.034 HB3 :: 3.991 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.897 Ave N Shift Values>> N :: 116.3(3.95) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.858 CA :: 66.306 CB :: 32.262 CG1 :: 23.226 CG2 :: 23.428 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 :: 7.090 HA :: 3.810 HB :: 2.354 HG11 :: 1.141 HG12 :: 1.141 HG13 :: 1.141 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 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 :: 119.891 Ave N Shift Values>> N :: 121.02(4.96) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.29 R 0.24 K 0.02 G 0.01 C Shift Assignments>> C :: 177.857 CA :: 59.118 CB :: 41.972 CG :: 28.505 CD1 :: 25.686 CD2 :: 24.010 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 :: 7.800 HA :: 3.904 HB2 :: 1.684 HB3 :: 1.315 HG :: 1.527 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 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 :: 119.169 Ave N Shift Values>> N :: 121.98(4.07) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.11 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 170.542 CA :: 58.736 CB :: 28.399 CG :: 33.960 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.056 HA :: 4.040 HB2 :: 2.080 HB3 :: 2.298 HG2 :: 2.575 HG3 :: 2.521 HE21 :: 7.485 HE22 :: 6.820 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 :: 118.919 NE2 :: 111.410 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.03 HN Overlap>> 1.K64 1.K64 C Shift Assignments>> C :: 177.603 CA :: 58.451 CB :: 31.612 CG :: 24.893 CD :: 29.558 CE :: 41.755 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 :: 7.522 HA :: 4.081 HB2 :: 1.770 HB3 :: 1.613 HG2 :: 1.626 HG3 :: 1.261 HD2 :: 1.748 HD3 :: 1.748 HE2 :: 2.965 HE3 :: 2.965 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 :: 117.119 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 177.776 CA :: 59.172 CB :: 39.931 CD1 :: 134.123 CE1 :: 117.965 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 :: 7.725 HA :: 4.683 HB2 :: 3.608 HB3 :: 2.753 HD1 :: 7.269 HD2 :: 7.269 HE1 :: 6.793 HE2 :: 6.793 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 :: 116.765 Ave N Shift Values>> N :: 120.79(4.69) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.802 CA :: 61.127 CB :: 63.550 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.468 HA :: 4.566 HB2 :: 4.074 HB3 :: 3.973 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.485 Ave N Shift Values>> N :: 116.3(3.95) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.11 K 0.11 Q 0.04 M 0.02 HN Overlap>> 1.V6 1.V6 C Shift Assignments>> C :: 176.162 CA :: 57.662 CB :: 29.080 CG :: 36.303 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 :: 8.500 HA :: 4.102 HB2 :: 1.544 HB3 :: 1.379 HG2 :: 1.916 HG3 :: 1.767 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 :: 121.163 Ave N Shift Values>> N :: 120.68(3.68) 1.W79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.47 HN Overlap>> 1.T36 1.T36 C Shift Assignments>> C :: 176.850 CA :: 57.848 CB :: 30.256 CD1 :: 126.336 CE3 :: 120.306 CZ2 :: 114.981 CZ3 :: 119.826 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 :: 8.159 HA :: 4.690 HB2 :: 3.528 HB3 :: 3.280 HD1 :: 7.293 HE1 :: 10.183 HE3 :: 7.594 HZ2 :: 7.478 HZ3 :: 7.135 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 :: 118.546 NE1 :: 129.495 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.499 CA :: 65.411 CB :: 70.066 CG2 :: 21.623 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 :: 7.627 HA :: 4.006 HB :: 4.008 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 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 :: 116.186 Ave N Shift Values>> N :: 115.7(5.05) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E3 1.E3 C Shift Assignments>> C :: 175.030 CA :: 56.542 CB :: 63.146 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.373 HA :: 4.664 HB2 :: 3.876 HB3 :: 3.783 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.990 Ave N Shift Values>> N :: 116.3(3.95) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.193 CB :: 32.256 CG :: 27.602 CD :: 50.745 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 :: 4.404 HB2 :: 1.935 HB3 :: 2.277 HG2 :: 2.066 HG3 :: 2.006 HD2 :: 3.720 HD3 :: 3.845 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.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 C 0.02 L 0.01 C Shift Assignments>> C :: 176.506 CA :: 52.355 CB :: 19.546 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.450 HA :: 4.345 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.035 Ave N Shift Values>> N :: 123.23(3.7) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.16 K 0.04 Q 0.03 I 0.02 C Shift Assignments>> C :: 177.442 CA :: 56.256 CB :: 31.003 CG :: 36.309 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 :: 8.398 HA :: 4.365 HB2 :: 2.116 HB3 :: 1.910 HG2 :: 2.297 HG3 :: 2.265 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 :: 120.624 Ave N Shift Values>> N :: 120.68(3.68) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.18 R 0.18 D 0.11 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 175.326 CA :: 56.017 CB :: 42.386 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 :: 8.062 HA :: 4.397 HB2 :: 2.681 HB3 :: 2.576 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 :: 126.894 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 84 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 85 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 0 C Shift Results: #Consistent: 373 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 622 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K64 HB2 = 0.839(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.4238e-04 1.K64 HB3 = 0.650(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.3855e-05