Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.079 CA :: 62.117 CB :: 69.585 CG2 :: 21.485 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 :: 8.171 HA :: 4.243 HB :: 4.183 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 119.584 Ave N Shift Values>> N :: 115.7(5.05) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.18 Q 0.13 I 0.07 C Shift Assignments>> C :: 176.375 CA :: 56.556 CB :: 30.069 CG :: 35.997 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 :: 8.533 HA :: 4.322 HB2 :: 1.878 HB3 :: 1.967 HG2 :: 2.222 HG3 :: 2.222 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 :: 123.234 Ave N Shift Values>> N :: 120.68(3.68) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.796 CA :: 61.719 CB :: 69.617 CG2 :: 21.482 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 :: 8.110 HA :: 4.233 HB :: 4.068 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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 :: 115.274 Ave N Shift Values>> N :: 115.7(5.05) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.L141 1.L141 C Shift Assignments>> C :: 174.969 CA :: 57.578 CB :: 38.700 CD1 :: 132.878 CD2 :: 132.878 CE1 :: 118.087 CE2 :: 118.087 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 :: 8.213 HA :: 4.584 HB2 :: 2.921 HB3 :: 2.976 HD1 :: 7.054 HD2 :: 7.054 HE1 :: 6.741 HE2 :: 6.741 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.553 Ave N Shift Values>> N :: 120.79(4.69) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A125 1.A125 C Shift Assignments>> C :: 175.437 CA :: 61.866 CB :: 32.895 CG1 :: 20.791 CG2 :: 20.791 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 :: 7.967 HA :: 4.001 HB :: 1.936 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.039 Ave N Shift Values>> N :: 121.02(4.96) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 176.727 CA :: 54.838 CB :: 42.000 CG :: 26.678 CD1 :: 24.593 CD2 :: 23.536 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 :: 8.196 HA :: 4.270 HB2 :: 1.524 HB3 :: 1.524 HG :: 1.511 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 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 :: 126.825 Ave N Shift Values>> N :: 121.98(4.07) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C Shift Assignments>> C :: 177.430 CA :: 52.420 CB :: 19.231 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.117 HA :: 4.195 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.917 Ave N Shift Values>> N :: 123.23(3.7) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.18 Q 0.14 I 0.04 HN Overlap>> 1.Q69 1.Q66 1.Q69 1.Q66 C Shift Assignments>> C :: 176.023 CA :: 55.912 CB :: 30.103 CG :: 35.927 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 :: 8.185 HA :: 4.271 HB2 :: 1.981 HB3 :: 1.842 HG2 :: 2.110 HG3 :: 2.110 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 :: 119.135 Ave N Shift Values>> N :: 120.68(3.68) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E43 1.Q95 1.E43 1.Q95 C Shift Assignments>> C :: 172.926 CA :: 56.226 CB :: 63.406 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.260 HA :: 4.752 HB2 :: 3.858 HB3 :: 3.858 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 :: 117.358 Ave N Shift Values>> N :: 116.3(3.95) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.961 CA :: 63.596 CB :: 31.811 CG :: 27.290 CD :: 50.413 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 :: 4.313 HB2 :: 1.768 HB3 :: 2.114 HG2 :: 1.888 HG3 :: 1.955 HD2 :: 3.770 HD3 :: 3.703 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.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 K 0.2 Q 0.14 I 0.08 C Shift Assignments>> C :: 175.906 CA :: 56.925 CB :: 29.736 CG :: 35.917 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 :: 8.450 HA :: 4.129 HB2 :: 1.811 HB3 :: 1.869 HG2 :: 2.107 HG3 :: 2.107 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 :: 119.688 Ave N Shift Values>> N :: 120.68(3.68) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.969 CA :: 57.589 CB :: 39.589 CD1 :: 131.535 CD2 :: 131.535 CE1 :: 131.379 CE2 :: 131.379 CZ :: 129.417 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 :: 7.937 HA :: 4.467 HB2 :: 2.987 HB3 :: 2.987 HD1 :: 7.058 HD2 :: 7.058 HE1 :: 7.237 HE2 :: 7.237 HZ :: 7.210 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 :: 119.707 Ave N Shift Values>> N :: 120.69(4.18) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.086 CA :: 57.744 CB :: 38.666 CD1 :: 132.887 CD2 :: 132.887 CE1 :: 118.100 CE2 :: 118.100 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 :: 7.757 HA :: 4.524 HB2 :: 3.072 HB3 :: 2.843 HD1 :: 7.043 HD2 :: 7.043 HE1 :: 6.800 HE2 :: 6.800 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.201 Ave N Shift Values>> N :: 120.79(4.69) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.33 E 0.18 R 0.05 HN Overlap>> 1.K40 1.K40 1.W96 1.W96 C Shift Assignments>> C :: 175.203 CA :: 55.527 CB :: 29.737 CG :: 33.867 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 :: 8.255 HA :: 4.343 HB2 :: 2.225 HB3 :: 1.986 HG2 :: 2.303 HG3 :: 2.303 HE21 :: 7.466 HE22 :: 6.807 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 :: 121.491 NE2 :: 112.055 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.19 R 0.09 F 0.08 Y 0.07 N 0.04 C Shift Assignments>> C :: 176.961 CA :: 54.824 CB :: 41.773 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 :: 8.080 HA :: 4.676 HB2 :: 2.785 HB3 :: 2.604 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 :: 119.716 Ave N Shift Values>> N :: 120.73(4.2) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.2 K 0.15 F 0.14 Y 0.12 N 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 173.093 CA :: 55.500 CB :: 40.931 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.483 HA :: 5.017 HB2 :: 2.450 HB3 :: 3.807 HD21 :: 5.616 HD22 :: 6.834 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.051 ND2 :: 110.213 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.382 CA :: 60.578 CB :: 33.860 CG1 :: 21.899 CG2 :: 21.333 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 :: 7.428 HA :: 5.172 HB :: 2.092 HG11 :: 1.052 HG12 :: 1.052 HG13 :: 1.052 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 117.664 Ave N Shift Values>> N :: 121.02(4.96) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.156 CA :: 61.900 CB :: 71.144 CG2 :: 21.115 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 :: 8.709 HA :: 4.443 HB :: 3.841 HG21 :: 0.696 HG22 :: 0.696 HG23 :: 0.696 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.667 Ave N Shift Values>> N :: 115.7(5.05) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.11 N 0.09 R 0.09 F 0.04 Y 0.03 G 0.01 HN Overlap>> 1.S25 1.S25 C Shift Assignments>> C :: 176.141 CA :: 52.586 CB :: 42.117 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.252 HA :: 5.582 HB2 :: 2.757 HB3 :: 2.165 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.057 Ave N Shift Values>> N :: 120.73(4.2) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.961 CA :: 59.647 CB :: 38.322 CD1 :: 132.638 CD2 :: 132.638 CE1 :: 118.188 CE2 :: 118.188 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 :: 9.137 HA :: 4.548 HB2 :: 3.074 HB3 :: 3.370 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.805 HE2 :: 6.805 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 :: 124.172 Ave N Shift Values>> N :: 120.79(4.69) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.492 CA :: 63.100 CB :: 70.614 CG2 :: 21.530 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 :: 8.624 HA :: 4.211 HB :: 4.179 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 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 :: 111.175 Ave N Shift Values>> N :: 115.7(5.05) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 174.384 CA :: 46.078 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.136 HA2 :: 4.088 HA3 :: 3.770 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.096 Ave N Shift Values>> N :: 109.91(4.29) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 K 0.31 E 0.17 R 0.04 HN Overlap>> 1.S131 1.S131 C Shift Assignments>> C :: 176.141 CA :: 55.505 CB :: 30.399 CG :: 33.544 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 :: 8.419 HA :: 4.293 HB2 :: 2.226 HB3 :: 1.720 HG2 :: 2.230 HG3 :: 2.230 HE21 :: 7.351 HE22 :: 6.818 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.954 NE2 :: 112.295 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.51 I 0.31 V 0.16 C Shift Assignments>> C :: 176.375 CA :: 58.260 CB :: 34.542 CG1 :: 24.861 CG2 :: 17.351 CD1 :: 8.439 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 :: 7.967 HA :: 4.118 HB :: 1.571 HG12 :: 0.858 HG13 :: -0.507(S) HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 HD11 :: 0.102 HD12 :: 0.102 HD13 :: 0.102 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 :: 122.645 Ave N Shift Values>> N :: 121.6(4.72) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D19 1.D19 C Shift Assignments>> C :: 175.320 CA :: 58.276 CB :: 64.378 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.180 HA :: 4.270 HB2 :: 4.224 HB3 :: 4.051 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 :: 125.039 Ave N Shift Values>> N :: 116.3(3.95) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.313 CA :: 61.693 CB :: 62.064 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.992 HA :: 4.062 HB2 :: 3.890 HB3 :: 3.890 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.135 Ave N Shift Values>> N :: 116.3(3.95) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.375 CA :: 61.322 CB :: 62.300 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.216 HA :: 4.202 HB2 :: 3.833 HB3 :: 3.833 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 :: 116.763 Ave N Shift Values>> N :: 116.3(3.95) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 I 0.09 L 0.09 D 0.09 K 0.06 N 0.01 C Shift Assignments>> C :: 178.485 CA :: 57.744 CB :: 40.069 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 :: 7.545 HA :: 4.554 HB2 :: 2.846 HB3 :: 2.288 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.389 Ave N Shift Values>> N :: 120.73(4.2) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> C :: 177.581 CA :: 66.140 CB :: 36.631 CG1 :: 29.227 CG2 :: 16.955 CD1 :: 12.344 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 :: 8.249 HA :: 3.565 HB :: 2.078 HG12 :: 1.727 HG13 :: 0.994 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.641 Ave N Shift Values>> N :: 121.6(4.72) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N105 1.S138 1.N105 1.S138 C Shift Assignments>> C :: 177.024 CA :: 66.831 CB :: 68.600 CG2 :: 21.520 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 :: 8.253 HA :: 3.950 HB :: 4.294 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 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 :: 115.582 Ave N Shift Values>> N :: 115.7(5.05) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 E 0.24 N 0.18 F 0.15 D 0.06 I 0.05 K 0.02 L 0.01 HN Overlap>> 1.A107 1.A107 C Shift Assignments>> C :: 178.368 CA :: 55.851 CB :: 37.448 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.952 HA :: 4.577 HB2 :: 3.128 HB3 :: 2.785 HD21 :: 6.816 HD22 :: 7.937 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 :: 121.480 ND2 :: 112.595 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.196 CA :: 65.989 CB :: 38.300 CG1 :: 29.386 CG2 :: 19.101 CD1 :: 14.390 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 :: 8.787 HA :: 3.588 HB :: 1.966 HG12 :: 2.146 HG13 :: 0.817 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 1.102 HD12 :: 1.102 HD13 :: 1.102 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 :: 122.961 Ave N Shift Values>> N :: 121.6(4.72) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.34 R 0.15 E 0.1 I 0.03 C Shift Assignments>> C :: 177.313 CA :: 58.620 CB :: 28.085 CG :: 33.518 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.870 HA :: 3.675 HB2 :: 2.178 HB3 :: 2.302 HG2 :: 2.509 HG3 :: 2.296 HE21 :: 7.800 HE22 :: 7.847 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 :: 119.717 NE2 :: 117.481 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 I 0.11 V 0.01 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 180.243 CA :: 55.169 CB :: 17.722 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.171 HA :: 4.302 HB1 :: 1.564 HB2 :: 1.564 HB3 :: 1.564 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.613 Ave N Shift Values>> N :: 123.23(3.7) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 I 0.05 V 0.01 C Shift Assignments>> C :: 180.712 CA :: 54.800 CB :: 18.489 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.619 HA :: 4.250 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.755 Ave N Shift Values>> N :: 123.23(3.7) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A99 1.A99 C Shift Assignments>> C :: 179.305 CA :: 66.356 CB :: 38.322 CG1 :: 30.017 CG2 :: 16.678 CD1 :: 15.638 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 :: 8.454 HA :: 3.479 HB :: 2.016 HG12 :: 1.914 HG13 :: 0.734 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 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 :: 121.141 Ave N Shift Values>> N :: 121.6(4.72) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 I 0.13 D 0.06 L 0.05 E 0.02 N 0.02 K 0.01 C Shift Assignments>> C :: 179.540 CA :: 57.927 CB :: 39.371 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.187 HA :: 4.502 HB2 :: 2.928 HB3 :: 2.703 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 :: 124.441 Ave N Shift Values>> N :: 120.73(4.2) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 L 0.12 K 0.12 D 0.1 I 0.07 R 0.01 N 0.01 HN Overlap>> 1.A125 1.A125 C Shift Assignments>> C :: 178.836 CA :: 57.589 CB :: 40.500 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 :: 7.975 HA :: 4.598 HB2 :: 2.878 HB3 :: 2.932 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.891 Ave N Shift Values>> N :: 120.73(4.2) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.954 CA :: 66.540 CB :: 31.466 CG1 :: 22.472 CG2 :: 23.901 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 :: 7.732 HA :: 3.753 HB :: 2.391 HG11 :: 0.930 HG12 :: 0.930 HG13 :: 0.930 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 122.386 Ave N Shift Values>> N :: 121.02(4.96) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.44 G 0.02 HN Overlap>> 1.Q14 1.W96 1.Q14 1.W96 C Shift Assignments>> C :: 179.657 CA :: 60.341 CB :: 33.157 CG :: 25.662 CD :: 30.382 CE :: 42.120 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 :: 8.300 HA :: 4.211 HB2 :: 2.081 HB3 :: 1.910 HG2 :: 1.450 HG3 :: 1.736 HD2 :: 1.777 HD3 :: 1.726 HE2 :: 2.960 HE3 :: 2.828 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 :: 121.483 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 179.305 CA :: 54.494 CB :: 18.922 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.676 HA :: 4.189 HB1 :: 1.568 HB2 :: 1.568 HB3 :: 1.568 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.116 Ave N Shift Values>> N :: 123.23(3.7) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.998 CA :: 60.308 CB :: 59.985 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.389 HA :: 4.439 HB2 :: 3.966 HB3 :: 3.966 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.144 Ave N Shift Values>> N :: 116.3(3.95) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 Q 0.36 K 0.22 R 0.01 HN Overlap>> 1.S9 1.S9 1.Q95 1.Q95 C Shift Assignments>> C :: 176.023 CA :: 54.500 CB :: 30.434 CG :: 34.898 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 :: 8.341 HA :: 4.573 HB2 :: 2.119 HB3 :: 1.718 HG2 :: 2.183 HG3 :: 2.279 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 :: 117.361 Ave N Shift Values>> N :: 120.68(3.68) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 Q 0.19 R 0.09 I 0.03 E 0.03 V 0.02 C Shift Assignments>> C :: 175.086 CA :: 57.234 CB :: 25.363 CG :: 34.230 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 :: 7.669 HA :: 4.150 HB2 :: 2.246 HB3 :: 2.246 HG2 :: 2.294 HG3 :: 2.246 HE21 :: 7.294 HE22 :: 6.562 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 :: 113.441 NE2 :: 112.313 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K45 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.49 R 0.46 G 0.03 C Shift Assignments>> C :: 174.617 CA :: 54.480 CB :: 37.259 CG :: 25.620 CD :: 27.631 CE :: 41.777 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.654 HA :: 4.590 HB2 :: 0.976 HB3 :: 1.752 HG2 :: 0.979 HG3 :: 0.745 HD2 :: 0.402(S) HD3 :: 0.202(A) HE2 :: 1.675(S) HE3 :: 1.675(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.574 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HB3 : 0.9957) (HE3 > HB3 : 0.9974) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 HN Overlap>> 1.L68 1.A99 1.L68 1.A99 C Shift Assignments>> C :: 173.210 CA :: 62.211 CB :: 34.553 CG1 :: 22.804 CG2 :: 21.136 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 :: 8.354 HA :: 4.010 HB :: 1.839 HG11 :: 0.598 HG12 :: 0.598 HG13 :: 0.598 HG21 :: 0.781 HG22 :: 0.781 HG23 :: 0.781 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 :: 121.195 Ave N Shift Values>> N :: 121.02(4.96) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 174.500 CA :: 59.652 CB :: 41.444 CG1 :: 28.013 CG2 :: 16.959 CD1 :: 14.948 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 :: 7.337 HA :: 4.957 HB :: 1.578 HG12 :: 1.862 HG13 :: 1.015 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 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 :: 127.417 Ave N Shift Values>> N :: 121.6(4.72) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 174.500 CA :: 57.145 CB :: 41.769 CD1 :: 131.478 CD2 :: 131.478 CE1 :: 129.406 CE2 :: 129.406 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.045 HA :: 5.363 HB2 :: 2.898 HB3 :: 2.982 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 7.252 HE2 :: 7.252 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.673 Ave N Shift Values>> N :: 120.69(4.18) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.086 CA :: 60.340 CB :: 34.589 CG1 :: 22.043 CG2 :: 22.151 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.879 HA :: 5.196 HB :: 1.883 HG11 :: 0.439 HG12 :: 0.439 HG13 :: 0.439 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 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 :: 121.191 Ave N Shift Values>> N :: 121.02(4.96) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 173.523 CA :: 59.800 CB :: 34.877 CG1 :: 21.791 CG2 :: 20.449 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 :: 8.915 HA :: 4.964 HB :: 1.840 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 128.242 Ave N Shift Values>> N :: 121.02(4.96) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 Y 0.01 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 174.969 CA :: 55.734 CB :: 39.778 CD1 :: 131.855 CD2 :: 131.855 CE1 :: 130.458 CE2 :: 130.458 CZ :: 127.625 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 :: 8.876 HA :: 5.272 HB2 :: 3.809 HB3 :: 2.553 HD1 :: 6.944 HD2 :: 6.944 HE1 :: 6.955 HE2 :: 6.955 HZ :: 6.975 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.214 Ave N Shift Values>> N :: 120.69(4.18) 1.L52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.5 G 0.44 A 0.05 C Shift Assignments>> C :: 177.196 CA :: 53.123 CB :: 44.533 CG :: 26.291 CD1 :: 23.910 CD2 :: 23.214 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 :: 8.962 HA :: 4.410 HB2 :: 0.441(S) HB3 :: 0.759 HG :: 0.761 HD11 :: -1.267(A) HD12 :: -1.267(A) HD13 :: -1.267(A) HD21 :: 0.277 HD22 :: 0.277 HD23 :: 0.277 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.075 Ave N Shift Values>> N :: 121.98(4.07) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.500 CA :: 61.018 CB :: 62.411 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.830 HA :: 4.053 HB2 :: 3.694 HB3 :: 3.694 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.465 Ave N Shift Values>> N :: 116.3(3.95) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.328 CA :: 55.873 CB :: 64.465 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.801 HA :: 4.043 HB2 :: 3.208 HB3 :: 3.836 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 :: 110.548 Ave N Shift Values>> N :: 116.3(3.95) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 Y 0.01 C Shift Assignments>> C :: 175.906 CA :: 60.756 CB :: 38.671 CD1 :: 131.798 CD2 :: 131.798 CE1 :: 130.626 CE2 :: 130.626 CZ :: 127.729 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 :: 8.902 HA :: 3.807 HB2 :: 3.707 HB3 :: 2.532 HD1 :: 6.789 HD2 :: 6.789 HE1 :: 6.652 HE2 :: 6.652 HZ :: 6.649 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.702 Ave N Shift Values>> N :: 120.69(4.18) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.24 Y 0.18 F 0.17 L 0.09 I 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 176.023 CA :: 55.000 CB :: 39.370 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.833 HA :: 4.228 HB2 :: 2.989 HB3 :: 2.501 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.914 Ave N Shift Values>> N :: 120.73(4.2) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 174.148 CA :: 45.222 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.654 HA2 :: 4.100 HA3 :: 3.533 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.736 Ave N Shift Values>> N :: 109.91(4.29) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 175.789 CA :: 61.360 CB :: 32.841 CG1 :: 21.090 CG2 :: 21.821 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 :: 7.656 HA :: 4.039 HB :: 2.354 HG11 :: 1.217 HG12 :: 1.217 HG13 :: 1.217 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 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 :: 122.972 Ave N Shift Values>> N :: 121.02(4.96) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.2 N 0.18 K 0.09 F 0.06 Y 0.04 R 0.03 C Shift Assignments>> C :: 175.271 CA :: 52.730 CB :: 41.271 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 :: 8.594 HA :: 4.480 HB2 :: 2.697 HB3 :: 2.697 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 :: 128.300 Ave N Shift Values>> N :: 120.73(4.2) 1.P60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.188 CA :: 65.156 CB :: 32.144 CG :: 27.321 CD :: 50.356 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 :: 3.499 HB2 :: 1.322 HB3 :: 0.840 HG2 :: 1.484 HG3 :: 0.408(S) HD2 :: 3.476 HD3 :: 3.425 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.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.43 K 0.09 Q 0.03 C Shift Assignments>> C :: 178.016 CA :: 59.985 CB :: 28.966 CG :: 36.349 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.658 HA :: 3.967 HB2 :: 1.996 HB3 :: 2.059 HG2 :: 2.282 HG3 :: 2.177 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 :: 119.587 Ave N Shift Values>> N :: 120.68(3.68) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.141 CA :: 66.191 CB :: 68.238 CG2 :: 21.515 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 :: 7.612 HA :: 3.921 HB :: 4.264 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 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 :: 118.700 Ave N Shift Values>> N :: 115.7(5.05) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 180.009 CA :: 62.711 CB :: 31.780 CD1 :: 127.701 CE3 :: 120.486 CZ2 :: 115.007 CZ3 :: 120.490 CH2 :: 123.642 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 :: 8.770 HA :: 3.851 HB2 :: 3.189 HB3 :: 3.573 HD1 :: 7.232 HE1 :: 10.128 HE3 :: 7.209 HZ2 :: 7.319 HZ3 :: 6.585 HH2 :: 7.017 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 :: 122.820 NE1 :: 130.073 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.727 CA :: 66.861 CB :: 68.582 CG2 :: 24.006 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 :: 8.536 HA :: 4.034 HB :: 4.132 HG1 :: 4.643 HG21 :: 1.485 HG22 :: 1.485 HG23 :: 1.485 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.666 Ave N Shift Values>> N :: 115.7(5.05) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.31 E 0.13 R 0.11 I 0.07 P 0.03 C Shift Assignments>> C :: 178.368 CA :: 59.633 CB :: 28.020 CG :: 33.860 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 :: 8.268 HA :: 3.886 HB2 :: 2.170 HB3 :: 2.323 HG2 :: 2.438 HG3 :: 2.351 HE21 :: 7.376 HE22 :: 6.795 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 :: 123.865 NE2 :: 110.232 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.3 R 0.14 E 0.12 I 0.06 P 0.01 HN Overlap>> 1.E8 1.Q69 1.E8 1.Q69 C Shift Assignments>> C :: 178.954 CA :: 58.680 CB :: 27.327 CG :: 33.998 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 :: 8.126 HA :: 3.873 HB2 :: 1.981 HB3 :: 1.806 HG2 :: 2.467 HG3 :: 2.253 HE21 :: 7.212 HE22 :: 6.632 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 :: 119.128 NE2 :: 110.335 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 I 0.04 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> C :: 179.891 CA :: 54.500 CB :: 18.022 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.674 HA :: 3.829 HB1 :: 1.110 HB2 :: 1.110 HB3 :: 1.110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.974 Ave N Shift Values>> N :: 123.23(3.7) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.12 K 0.01 HN Overlap>> 1.A99 1.V46 1.A99 1.V46 C Shift Assignments>> C :: 179.205 CA :: 57.927 CB :: 41.440 CG :: 26.664 CD1 :: 23.573 CD2 :: 26.342 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 :: 8.312 HA :: 3.878 HB2 :: 1.402 HB3 :: 2.001 HG :: 1.523 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 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 :: 121.177 Ave N Shift Values>> N :: 121.98(4.07) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.34 E 0.13 R 0.12 I 0.03 HN Overlap>> 1.E8 1.E8 1.Q66 1.Q66 C Shift Assignments>> C :: 178.368 CA :: 58.276 CB :: 28.000 CG :: 33.812 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 :: 8.168 HA :: 3.952 HB2 :: 2.071 HB3 :: 2.071 HG2 :: 2.406 HG3 :: 2.500 HE21 :: 7.478 HE22 :: 6.802 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 :: 119.126 NE2 :: 111.613 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 I 0.02 C Shift Assignments>> C :: 178.250 CA :: 54.033 CB :: 18.022 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.712 HA :: 4.071 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.601 Ave N Shift Values>> N :: 123.23(3.7) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.16 Y 0.16 N 0.15 L 0.14 K 0.05 I 0.01 C Shift Assignments>> C :: 175.672 CA :: 55.178 CB :: 40.091 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.352 HA :: 4.524 HB2 :: 2.737 HB3 :: 2.464 HD21 :: 7.299 HD22 :: 6.724 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 :: 115.093 ND2 :: 113.200 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G72 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>> C :: 174.969 CA :: 45.569 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.147 HA2 :: 3.846 HA3 :: 4.195 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.311 Ave N Shift Values>> N :: 109.91(4.29) 1.G73 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>> C :: 175.555 CA :: 45.571 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.370 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 :: 108.180 Ave N Shift Values>> N :: 109.91(4.29) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 173.796 CA :: 47.278 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.177 HA2 :: 4.259 HA3 :: 4.060 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.470 Ave N Shift Values>> N :: 109.91(4.29) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 Y 0.07 D 0.06 E 0.06 F 0.03 K 0.01 C Shift Assignments>> C :: 175.320 CA :: 52.069 CB :: 36.978 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 :: 8.579 HA :: 4.570 HB2 :: 2.847 HB3 :: 3.374 HD21 :: 7.240 HD22 :: 6.840 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.874 ND2 :: 109.690 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.038 CA :: 62.044 CB :: 33.534 CG1 :: 22.861 CG2 :: 22.520 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 :: 7.377 HA :: 5.200 HB :: 2.066 HG11 :: 1.052 HG12 :: 1.052 HG13 :: 1.052 HG21 :: 1.173 HG22 :: 1.173 HG23 :: 1.173 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 :: 124.601 Ave N Shift Values>> N :: 121.02(4.96) 1.L77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 L 0.27 C Shift Assignments>> C :: 174.265 CA :: 53.827 CB :: 45.456 CG :: 25.957 CD1 :: 25.249 CD2 :: 26.297 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 :: 8.999 HA :: 4.843 HB2 :: 0.193(S) HB3 :: 0.962 HG :: 0.968 HD11 :: -0.491(S) HD12 :: -0.491(S) HD13 :: -0.491(S) HD21 :: 0.361 HD22 :: 0.361 HD23 :: 0.361 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.936 Ave N Shift Values>> N :: 121.98(4.07) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 HN Overlap>> 1.F51 1.F51 C Shift Assignments>> C :: 173.445 CA :: 58.600 CB :: 39.456 CG1 :: 27.332 CG2 :: 16.994 CD1 :: 11.920 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 :: 8.931 HA :: 5.066 HB :: 1.974 HG12 :: 1.480 HG13 :: 1.480 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.248 Ave N Shift Values>> N :: 121.6(4.72) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.156 CA :: 53.467 CB :: 39.706 CD1 :: 131.494 CD2 :: 131.494 CE1 :: 116.621 CE2 :: 116.621 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.034 HA :: 5.711 HB2 :: 2.671 HB3 :: 2.897 HD1 :: 7.047 HD2 :: 7.047 HE1 :: 6.391 HE2 :: 6.391 HH :: 8.419 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 128.141 Ave N Shift Values>> N :: 120.79(4.69) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 A 0.29 L 0.29 P 0.04 K 0.02 C Shift Assignments>> C :: 174.500 CA :: 48.984 CB :: 23.148 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.825 HA :: 5.278 HB1 :: 1.048 HB2 :: 1.048 HB3 :: 1.048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.167 Ave N Shift Values>> N :: 123.23(3.7) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.36 R 0.03 C Shift Assignments>> C :: 173.445 CA :: 53.944 CB :: 45.198 CG :: 27.497 CD1 :: 25.624 CD2 :: 25.272 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 :: 8.369 HA :: 5.019 HB2 :: 1.255 HB3 :: 1.378 HG :: 1.301 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.484 HD22 :: 0.484 HD23 :: 0.484 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 :: 120.831 Ave N Shift Values>> N :: 121.98(4.07) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 A 0.08 L 0.01 C Shift Assignments>> C :: 175.079 CA :: 47.384 CB :: 20.438 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.543 HA :: 5.578 HB1 :: 0.900 HB2 :: 0.900 HB3 :: 0.900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.846 Ave N Shift Values>> N :: 123.23(3.7) 1.P83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.368 CA :: 65.600 CB :: 31.475 CG :: 27.030 CD :: 50.149 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 :: 2.680(S) HB2 :: 0.252(S) HB3 :: 1.198 HG2 :: 1.190 HG3 :: 1.886 HD2 :: 3.711 HD3 :: 3.799 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.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.27 K 0.1 Q 0.03 C Shift Assignments>> C :: 177.782 CA :: 58.616 CB :: 29.736 CG :: 36.626 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 :: 8.851 HA :: 3.904 HB2 :: 1.962 HB3 :: 2.026 HG2 :: 2.291 HG3 :: 2.291 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 :: 114.238 Ave N Shift Values>> N :: 120.68(3.68) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.8 K 0.09 Q 0.04 I 0.04 C Shift Assignments>> C :: 174.969 CA :: 55.000 CB :: 30.726 CG :: 36.629 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 :: 7.103 HA :: 4.427 HB2 :: 2.003 HB3 :: 2.255 HG2 :: 2.292 HG3 :: 2.292 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 :: 113.460 Ave N Shift Values>> N :: 120.68(3.68) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.31 G 0.17 K 0.12 C Shift Assignments>> C :: 174.617 CA :: 57.000 CB :: 27.378 CG :: 28.153 CD :: 43.498 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 :: 7.966 HA :: 3.642 HB2 :: 2.147 HB3 :: 2.147 HG2 :: 1.824 HG3 :: 1.739 HD2 :: 3.399 HD3 :: 3.399 HE :: 7.492 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.468 NE :: 85.646 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.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.58 E 0.37 K 0.03 C Shift Assignments>> C :: 173.796 CA :: 54.155 CB :: 33.770 CG :: 33.497 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 :: 7.049 HA :: 5.100 HB2 :: 1.875 HB3 :: 1.928 HG2 :: 2.401 HG3 :: 2.298 HE21 :: 7.240 HE22 :: 6.910 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.314 NE2 :: 110.553 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.94 G 0.05 C Shift Assignments>> C :: 172.273 CA :: 56.252 CB :: 42.411 CD1 :: 133.265 CD2 :: 133.265 CE1 :: 117.409 CE2 :: 117.409 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 :: 8.561 HA :: 5.647 HB2 :: 3.375 HB3 :: 3.078 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.958 HE2 :: 6.958 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.555 Ave N Shift Values>> N :: 120.79(4.69) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.1 F 0.01 D 0.01 C Shift Assignments>> C :: 171.335 CA :: 44.865 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.556 HA2 :: 4.355 HA3 :: 3.401 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.123 Ave N Shift Values>> N :: 109.91(4.29) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.04 C Shift Assignments>> C :: 176.141 CA :: 60.341 CB :: 42.132 CG1 :: 30.074 CG2 :: 17.333 CD1 :: 14.280 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 :: 8.615 HA :: 5.445 HB :: 1.701 HG12 :: 1.914 HG13 :: 0.950 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 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 :: 121.690 Ave N Shift Values>> N :: 121.6(4.72) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.55 E 0.39 K 0.04 C Shift Assignments>> C :: 173.562 CA :: 54.200 CB :: 32.984 CG :: 34.203 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 :: 8.541 HA :: 4.699 HB2 :: 1.729 HB3 :: 2.052 HG2 :: 2.350 HG3 :: 2.169 HE21 :: 7.526 HE22 :: 7.177 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.743 NE2 :: 112.624 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.1 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.562 CA :: 43.489 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.024 HA2 :: 5.064 HA3 :: 3.005 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.873 Ave N Shift Values>> N :: 109.91(4.29) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.16 R 0.1 F 0.01 D 0.01 C Shift Assignments>> C :: 174.969 CA :: 44.859 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.918 HA2 :: 4.439 HA3 :: 4.305 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.268 Ave N Shift Values>> N :: 109.91(4.29) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.023 CA :: 64.595 CB :: 69.248 CG2 :: 21.989 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 :: 8.263 HA :: 4.223 HB :: 4.436 HG21 :: 1.445 HG22 :: 1.445 HG23 :: 1.445 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 :: 108.498 Ave N Shift Values>> N :: 115.7(5.05) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.26 R 0.04 I 0.02 HN Overlap>> 1.S9 1.E43 1.S9 1.E43 C Shift Assignments>> C :: 176.844 CA :: 56.562 CB :: 29.022 CG :: 34.551 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 :: 8.367 HA :: 4.256 HB2 :: 1.545 HB3 :: 2.142 HG2 :: 2.309 HG3 :: 2.240 HE21 :: 6.861 HE22 :: 7.531 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.364 NE2 :: 111.419 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 HN Overlap>> 1.K40 1.Q14 1.K40 1.Q14 C Shift Assignments>> C :: 176.141 CA :: 57.243 CB :: 28.024 CD1 :: 125.666 CE3 :: 120.671 CZ2 :: 115.344 CZ3 :: 121.161 CH2 :: 123.387 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 :: 8.198 HA :: 4.440 HB2 :: 3.362 HB3 :: 3.049 HD1 :: 7.131 HE1 :: 8.464 HE3 :: 7.443 HZ2 :: 6.969 HZ3 :: 6.920 HH2 :: 6.829 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 :: 121.487 NE1 :: 126.495 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.320 CA :: 60.314 CB :: 71.100 CG2 :: 21.585 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 :: 9.176 HA :: 4.575 HB :: 4.736 HG21 :: 1.299 HG22 :: 1.299 HG23 :: 1.299 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 :: 115.618 Ave N Shift Values>> N :: 115.7(5.05) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 I 0.1 D 0.09 L 0.08 K 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 178.602 CA :: 57.603 CB :: 39.736 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 :: 8.860 HA :: 4.408 HB2 :: 2.666 HB3 :: 2.773 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.921 Ave N Shift Values>> N :: 120.73(4.2) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 I 0.08 V 0.01 HN Overlap>> 1.L68 1.L68 1.I36 1.V46 1.I36 1.V46 C Shift Assignments>> C :: 181.415 CA :: 55.136 CB :: 18.348 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.410 HA :: 4.240 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.217 Ave N Shift Values>> N :: 123.23(3.7) 1.E100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.64 I 0.29 K 0.04 Q 0.01 C Shift Assignments>> C :: 180.243 CA :: 58.900 CB :: 30.657 CG :: 37.022 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 :: 7.932 HA :: 4.161 HB2 :: 2.787(S) HB3 :: 2.233 HG2 :: 2.421 HG3 :: 2.421 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 :: 120.115 Ave N Shift Values>> N :: 120.68(3.68) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 A 0.01 C Shift Assignments>> C :: 179.774 CA :: 57.924 CB :: 40.800 CG :: 27.277 CD1 :: 25.313 CD2 :: 22.663 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 :: 8.588 HA :: 3.955 HB2 :: 2.020 HB3 :: 1.455 HG :: 1.880 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.499 HD22 :: 0.499 HD23 :: 0.499 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 :: 121.500 Ave N Shift Values>> N :: 121.98(4.07) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.17 L 0.15 D 0.12 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 178.368 CA :: 57.279 CB :: 40.803 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 :: 8.721 HA :: 4.462 HB2 :: 2.818 HB3 :: 2.680 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.059 Ave N Shift Values>> N :: 120.73(4.2) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 I 0.1 V 0.01 C Shift Assignments>> C :: 180.712 CA :: 55.121 CB :: 17.825 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.960 HA :: 4.178 HB1 :: 1.580 HB2 :: 1.580 HB3 :: 1.580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.800 Ave N Shift Values>> N :: 123.23(3.7) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 I 0.14 C Shift Assignments>> C :: 178.485 CA :: 55.121 CB :: 16.946 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.155 HA :: 4.204 HB1 :: 1.307 HB2 :: 1.307 HB3 :: 1.307 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.225 Ave N Shift Values>> N :: 123.23(3.7) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 D 0.13 L 0.09 I 0.07 N 0.04 K 0.03 E 0.01 HN Overlap>> 1.T30 1.T30 1.S138 1.S138 C Shift Assignments>> C :: 176.844 CA :: 57.048 CB :: 39.700 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 :: 8.267 HA :: 4.181 HB2 :: 2.874 HB3 :: 2.874 HD21 :: 7.776 HD22 :: 7.249 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 :: 115.562 ND2 :: 115.862 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.24 E 0.11 N 0.1 D 0.09 I 0.07 L 0.03 C Shift Assignments>> C :: 177.202 CA :: 56.552 CB :: 38.300 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 :: 8.505 HA :: 4.424 HB2 :: 2.782 HB3 :: 2.846 HD21 :: 7.607 HD22 :: 6.909 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 :: 116.703 ND2 :: 113.650 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 I 0.03 HN Overlap>> 1.N31 1.N31 C Shift Assignments>> C :: 180.009 CA :: 54.486 CB :: 18.409 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.958 HA :: 4.052 HB1 :: 1.320 HB2 :: 1.320 HB3 :: 1.320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.485 Ave N Shift Values>> N :: 123.23(3.7) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 I 0.15 C Shift Assignments>> C :: 179.305 CA :: 55.176 CB :: 17.025 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.953 HA :: 3.982 HB1 :: 1.057 HB2 :: 1.057 HB3 :: 1.057 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.429 Ave N Shift Values>> N :: 123.23(3.7) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.250 CA :: 62.035 CB :: 39.168 CD1 :: 131.614 CD2 :: 131.614 CE1 :: 131.232 CE2 :: 131.232 CZ :: 129.775 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 :: 8.891 HA :: 3.830 HB2 :: 3.363 HB3 :: 3.057 HD1 :: 7.279 HD2 :: 7.279 HE1 :: 7.417 HE2 :: 7.417 HZ :: 7.347 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.648 Ave N Shift Values>> N :: 120.69(4.18) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 R 0.16 E 0.09 I 0.03 P 0.01 C Shift Assignments>> C :: 178.368 CA :: 58.925 CB :: 27.832 CG :: 33.525 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 :: 8.084 HA :: 3.833 HB2 :: 2.085 HB3 :: 2.151 HG2 :: 2.526 HG3 :: 2.465 HE21 :: 7.450 HE22 :: 6.874 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.654 NE2 :: 111.734 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 I 0.03 C Shift Assignments>> C :: 180.360 CA :: 54.151 CB :: 17.739 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.838 HA :: 4.230 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.886 Ave N Shift Values>> N :: 123.23(3.7) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 181.181 CA :: 57.938 CB :: 40.739 CG :: 26.186 CD1 :: 25.275 CD2 :: 23.926 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 :: 8.698 HA :: 3.485 HB2 :: 1.607 HB3 :: 1.285 HG :: 1.743 HD11 :: 0.506 HD12 :: 0.506 HD13 :: 0.506 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 121.049 Ave N Shift Values>> N :: 121.98(4.07) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.382 CA :: 61.184 CB :: 62.482 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.006 HA :: 4.007 HB2 :: 3.756 HB3 :: 3.517 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 :: 116.741 Ave N Shift Values>> N :: 116.3(3.95) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.38 R 0.11 E 0.07 C Shift Assignments>> C :: 174.617 CA :: 54.134 CB :: 28.647 CG :: 33.510 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 :: 6.923 HA :: 4.391 HB2 :: 1.826 HB3 :: 2.253 HG2 :: 2.301 HG3 :: 2.257 HE21 :: 6.734 HE22 :: 7.273 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 :: 118.366 NE2 :: 112.253 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 I 0.31 E 0.18 Q 0.03 L 0.03 R 0.01 C Shift Assignments>> C :: 173.093 CA :: 56.533 CB :: 25.597 CG :: 36.586 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 :: 7.654 HA :: 2.160(S) HB2 :: 1.981 HB3 :: 1.820 HG2 :: 2.033 HG3 :: 2.033 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 :: 113.636 Ave N Shift Values>> N :: 120.68(3.68) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.18 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 176.492 CA :: 50.702 CB :: 38.765 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 :: 7.102 HA :: 4.533 HB2 :: 2.686 HB3 :: 2.135 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.480 Ave N Shift Values>> N :: 120.73(4.2) 1.W117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.81 H 0.18 C Shift Assignments>> C :: 180.595 CA :: 58.949 CB :: 29.734 CD1 :: 129.135 CE3 :: 119.479 CZ2 :: 114.996 CZ3 :: 121.169 CH2 :: 124.572 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 :: 6.866 HA :: 4.321 HB2 :: 3.207 HB3 :: 3.315 HD1 :: 7.387 HE1 :: 10.435 HE3 :: 7.370 HZ2 :: 7.480 HZ3 :: 6.985 HH2 :: 7.195 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 :: 122.424 NE1 :: 131.159 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 I 0.11 V 0.02 C Shift Assignments>> C :: 179.657 CA :: 55.449 CB :: 18.384 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.579 HA :: 4.268 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.644 Ave N Shift Values>> N :: 123.23(3.7) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 177.313 CA :: 46.589 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.822 HA2 :: 4.089 HA3 :: 3.762 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.001 Ave N Shift Values>> N :: 109.91(4.29) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.031 CA :: 61.210 CB :: 62.386 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.173 HA :: 4.058 HB2 :: 4.060 HB3 :: 4.060 HG :: 6.847 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 :: 118.788 Ave N Shift Values>> N :: 116.3(3.95) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.08 V 0.02 T 0.01 C Shift Assignments>> C :: 178.133 CA :: 54.187 CB :: 20.112 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.080 HA :: 4.256 HB1 :: 1.733 HB2 :: 1.733 HB3 :: 1.733 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.875 Ave N Shift Values>> N :: 123.23(3.7) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 G 0.01 C Shift Assignments>> C :: 177.782 CA :: 57.949 CB :: 41.780 CG :: 26.662 CD1 :: 24.641 CD2 :: 24.641 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 :: 7.410 HA :: 3.942 HB2 :: 1.783 HB3 :: 1.540 HG :: 1.539 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 118.595 Ave N Shift Values>> N :: 121.98(4.07) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 I 0.03 C Shift Assignments>> C :: 180.595 CA :: 54.283 CB :: 17.997 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.522 HA :: 4.037 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.388 Ave N Shift Values>> N :: 123.23(3.7) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.19 K 0.04 G 0.01 C Shift Assignments>> C :: 179.422 CA :: 59.991 CB :: 41.400 CG :: 26.989 CD1 :: 26.941 CD2 :: 24.633 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 :: 7.654 HA :: 3.739 HB2 :: 1.557 HB3 :: 1.696 HG :: 1.391 HD11 :: 0.221 HD12 :: 0.221 HD13 :: 0.221 HD21 :: 0.599 HD22 :: 0.599 HD23 :: 0.599 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 :: 120.133 Ave N Shift Values>> N :: 121.98(4.07) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 I 0.16 V 0.01 HN Overlap>> 1.V5 1.V5 1.D38 1.D38 C Shift Assignments>> C :: 178.719 CA :: 55.520 CB :: 17.737 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.915 HA :: 3.878 HB1 :: 1.341 HB2 :: 1.341 HB3 :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.945 Ave N Shift Values>> N :: 123.23(3.7) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.28 K 0.1 Q 0.02 C Shift Assignments>> C :: 178.368 CA :: 58.253 CB :: 29.466 CG :: 36.868 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 :: 8.438 HA :: 4.087 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.531 HG3 :: 2.177 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 :: 114.827 Ave N Shift Values>> N :: 120.68(3.68) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.203 CA :: 60.947 CB :: 63.467 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.833 HA :: 4.180 HB2 :: 3.769 HB3 :: 3.929 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.705 Ave N Shift Values>> N :: 116.3(3.95) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.844 CA :: 63.410 CB :: 31.451 CG1 :: 22.142 CG2 :: 21.149 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 :: 7.148 HA :: 4.112 HB :: 2.289 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 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 :: 120.590 Ave N Shift Values>> N :: 121.02(4.96) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 174.734 CA :: 45.217 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.275 HA2 :: 4.015 HA3 :: 4.015 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.823 Ave N Shift Values>> N :: 109.91(4.29) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S138 1.S138 C Shift Assignments>> C :: 175.203 CA :: 58.600 CB :: 63.762 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.128 HA :: 4.501 HB2 :: 3.946 HB3 :: 3.894 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 :: 115.569 Ave N Shift Values>> N :: 116.3(3.95) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 174.972 CA :: 58.600 CB :: 63.632 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.452 HA :: 4.502 HB2 :: 3.944 HB3 :: 3.889 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 :: 117.931 Ave N Shift Values>> N :: 116.3(3.95) 1.S132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.382 CA :: 45.401 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.395 HA2 :: 4.006 HA3 :: 4.006 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.840 Ave N Shift Values>> N :: 109.91(4.29) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T30 1.N105 1.T30 1.N105 1.S130 1.S130 C Shift Assignments>> C :: 174.854 CA :: 58.423 CB :: 63.611 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.232 HA :: 4.511 HB2 :: 3.945 HB3 :: 3.882 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 :: 115.593 Ave N Shift Values>> N :: 116.3(3.95) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.851 CA :: 58.600 CB :: 63.760 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 :: 4.505 HB2 :: 3.885 HB3 :: 3.940 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 :: 117.638 Ave N Shift Values>> N :: 116.3(3.95) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.568 CB :: 63.507 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.425 HB2 :: 3.855 HB3 :: 3.911 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.08 A 0.03 G 0.01 HN Overlap>> 1.Y4 1.Y4 C Shift Assignments>> C :: 177.430 CA :: 55.380 CB :: 42.098 CG :: 26.984 CD1 :: 24.888 CD2 :: 23.236 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 :: 8.155 HA :: 4.270 HB2 :: 1.581 HB3 :: 1.530 HG :: 1.581 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 123.552 Ave N Shift Values>> N :: 121.98(4.07) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.18 Q 0.13 I 0.06 C Shift Assignments>> C :: 176.258 CA :: 56.564 CB :: 30.125 CG :: 35.937 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 :: 8.170 HA :: 4.147 HB2 :: 1.866 HB3 :: 1.866 HG2 :: 2.104 HG3 :: 2.104 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 :: 120.475 Ave N Shift Values>> N :: 120.68(3.68) 1.H143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 140 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 137 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 1 C Shift Results: #Consistent: 573 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 891 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 4 N Shift Results: #Consistent: 155 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I24 HG13 = -0.507(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.2568e-05 1.K45 HD2 = 0.402(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.3517e-06 1.K45 HD3 = 0.202(A), Expected = 1.61, Std = 0.2500, ChiSquare = 1.7813e-08 1.K45 HE2 = 1.675(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.4963e-10 1.K45 HE3 = 1.675(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.4963e-10 1.K45 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.K45 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.L52 HB2 = 0.441(S), Expected = 1.63, Std = 0.3400, ChiSquare = 4.7042e-04 1.L52 HD11 = -1.267(A), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5422e-14 1.L52 HD12 = -1.267(A), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5422e-14 1.L52 HD13 = -1.267(A), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5422e-14 1.P60 HG3 = 0.408(S), Expected = 1.92, Std = 0.3700, ChiSquare = 4.3795e-05 1.L77 HB2 = 0.193(S), Expected = 1.63, Std = 0.3400, ChiSquare = 2.3739e-05 1.L77 HD11 = -0.491(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.0066e-06 1.L77 HD12 = -0.491(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.0066e-06 1.L77 HD13 = -0.491(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.0066e-06 1.P83 HA = 2.680(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.5432e-06 1.P83 HB2 = 0.252(S), Expected = 2.05, Std = 0.3900, ChiSquare = 4.0217e-06 1.E100 HB2 = 2.787(S), Expected = 2.04, Std = 0.2200, ChiSquare = 6.8515e-04 1.E115 HA = 2.160(S), Expected = 4.26, Std = 0.4300, ChiSquare = 1.0410e-06