Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.39 C 0.36 A 0.23 C Shift Assignments>> C :: 172.364 CA :: 54.863 CB :: 33.551 CG :: 30.432 CE :: 17.275 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.055 HB2 :: 2.125 HB3 :: 2.188 HG2 :: 2.609 HG3 :: 2.516 HE1 :: 2.008 HE2 :: 2.008 HE3 :: 2.008 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.R2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.38 K 0.15 G 0.06 HN Overlap>> 1.A38 1.A38 C Shift Assignments>> C :: 174.129 CA :: 56.525 CB :: 31.985 CG :: 26.980 CD :: 43.305 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 :: 7.517 HA :: 4.216 HB2 :: 1.731 HB3 :: 0.762(S) HG2 :: 1.657 HG3 :: 1.533 HD2 :: 3.152 HD3 :: 2.391(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.273 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.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.983 CA :: 56.445 CB :: 65.428 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.516 HA :: 4.594 HB2 :: 3.958 HB3 :: 4.395 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 :: 115.037 Ave N Shift Values>> N :: 116.3(3.95) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.36 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 179.276 CA :: 55.280 CB :: 18.669 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.930 HA :: 3.740 HB1 :: 1.167 HB2 :: 1.167 HB3 :: 1.167 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.198 Ave N Shift Values>> N :: 123.23(3.7) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.694 CA :: 65.834 CB :: 68.030 CG2 :: 21.971 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 :: 8.122 HA :: 3.782 HB :: 4.101 HG21 :: 1.259 HG22 :: 1.259 HG23 :: 1.259 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.845 Ave N Shift Values>> N :: 115.7(5.05) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.17 F 0.15 C 0.12 Y 0.12 D 0.11 R 0.06 I 0.02 N 0.01 C Shift Assignments>> C :: 178.683 CA :: 56.750 CB :: 41.375 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 :: 7.289 HA :: 4.318 HB2 :: 2.749 HB3 :: 2.792 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 :: 122.943 Ave N Shift Values>> N :: 120.73(4.2) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.29 L 0.21 G 0.03 A 0.02 C Shift Assignments>> C :: 178.327 CA :: 57.581 CB :: 42.472 CG :: 26.078 CD1 :: 27.619 CD2 :: 21.565 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 :: 7.959 HA :: 3.761 HB2 :: 1.803 HB3 :: 0.937 HG :: 1.388 HD11 :: 0.377 HD12 :: 0.377 HD13 :: 0.377 HD21 :: -0.036 HD22 :: -0.036 HD23 :: -0.036 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.912 Ave N Shift Values>> N :: 121.98(4.07) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.05 C Shift Assignments>> C :: 178.161 CA :: 58.015 CB :: 41.714 CG :: 27.073 CD1 :: 24.946 CD2 :: 24.946 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 :: 8.363 HA :: 3.676 HB2 :: 1.603 HB3 :: 1.603 HG :: 1.560 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 HD21 :: 0.717 HD22 :: 0.717 HD23 :: 0.717 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.623 Ave N Shift Values>> N :: 121.98(4.07) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.05 N 0.03 K 0.03 E 0.01 HN Overlap>> 1.R79 1.R79 C Shift Assignments>> C :: 179.256 CA :: 57.082 CB :: 39.823 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 :: 8.003 HA :: 4.378 HB2 :: 2.608 HB3 :: 2.828 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.218 Ave N Shift Values>> N :: 120.73(4.2) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.31 E 0.24 K 0.06 Q 0.01 C Shift Assignments>> C :: 178.683 CA :: 59.903 CB :: 28.343 CG :: 36.391 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 :: 7.670 HA :: 4.035 HB2 :: 1.985 HB3 :: 1.841 HG2 :: 2.282 HG3 :: 1.967 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.141 Ave N Shift Values>> N :: 120.68(3.68) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.01 C Shift Assignments>> C :: 178.782 CA :: 57.389 CB :: 41.107 CG :: 26.356 CD1 :: 25.137 CD2 :: 22.774 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 :: 8.250 HA :: 3.757 HB2 :: 0.701 HB3 :: 1.508 HG :: 1.254 HD11 :: 0.203 HD12 :: 0.203 HD13 :: 0.203 HD21 :: 0.218 HD22 :: 0.218 HD23 :: 0.218 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.582 Ave N Shift Values>> N :: 121.98(4.07) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.21 C 0.16 Y 0.13 F 0.11 L 0.06 E 0.01 I 0.01 C Shift Assignments>> C :: 175.837 CA :: 54.554 CB :: 39.203 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.917 HA :: 5.093 HB2 :: 2.987 HB3 :: 2.855 HD21 :: 7.628 HD22 :: 7.354 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.818 ND2 :: 111.031 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.25 L 0.05 C 0.05 C Shift Assignments>> C :: 177.995 CA :: 53.222 CB :: 20.420 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.917 HA :: 4.536 HB1 :: 1.553 HB2 :: 1.553 HB3 :: 1.553 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.597 Ave N Shift Values>> N :: 123.23(3.7) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.884 CA :: 60.841 CB :: 33.645 CG1 :: 21.187 CG2 :: 19.447 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.824 HA :: 4.450 HB :: 2.282 HG11 :: 0.988 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 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 :: 114.138 Ave N Shift Values>> N :: 121.02(4.96) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.16 F 0.16 Y 0.14 C 0.13 K 0.13 N 0.04 R 0.02 I 0.01 HN Overlap>> 1.D141 1.D141 C Shift Assignments>> C :: 176.311 CA :: 56.110 CB :: 40.781 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 :: 8.390 HA :: 4.575 HB2 :: 2.739 HB3 :: 2.851 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 :: 122.040 Ave N Shift Values>> N :: 120.73(4.2) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 M 0.2 Q 0.07 K 0.05 I 0.01 HN Overlap>> 1.Y134 1.Y134 C Shift Assignments>> C :: 175.149 CA :: 55.823 CB :: 31.038 CG :: 35.768 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.133 HA :: 4.394 HB2 :: 2.017 HB3 :: 1.930 HG2 :: 2.204 HG3 :: 2.204 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.877 Ave N Shift Values>> N :: 120.68(3.68) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.983 CA :: 57.368 CB :: 63.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.654 HA :: 4.565 HB2 :: 3.766 HB3 :: 3.732 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 :: 118.147 Ave N Shift Values>> N :: 116.3(3.95) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.3 C 0.03 L 0.01 C Shift Assignments>> C :: 178.341 CA :: 53.622 CB :: 19.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.768 HA :: 4.356 HB1 :: 1.473 HB2 :: 1.473 HB3 :: 1.473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.534 Ave N Shift Values>> N :: 123.23(3.7) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 G 0.13 K 0.1 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 174.001 CA :: 55.812 CB :: 31.029 CG :: 28.246 CD :: 43.833 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.279 HA :: 4.540 HB2 :: 1.702 HB3 :: 2.238 HG2 :: 1.747 HG3 :: 1.629 HD2 :: 3.413 HD3 :: 3.284 HE :: 7.086 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 :: 113.972 NE :: 86.703 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.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.37 C Shift Assignments>> C :: 174.722 CA :: 60.442 CB :: 41.650 CG1 :: 26.564 CG2 :: 18.136 CD1 :: 15.284 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 :: 7.230 HA :: 5.121 HB :: 1.448 HG12 :: 1.456 HG13 :: 0.683 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 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 :: 117.054 Ave N Shift Values>> N :: 121.6(4.72) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.35 E 0.14 Q 0.04 C Shift Assignments>> C :: 174.532 CA :: 54.459 CB :: 33.025 CG :: 35.455 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.157 HA :: 4.737 HB2 :: 1.939 HB3 :: 1.821 HG2 :: 2.249 HG3 :: 2.133 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.424 Ave N Shift Values>> N :: 120.68(3.68) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.11 C 0.07 L 0.07 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 176.406 CA :: 50.805 CB :: 21.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.678 HA :: 4.928 HB1 :: 1.212 HB2 :: 1.212 HB3 :: 1.212 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.192 Ave N Shift Values>> N :: 123.23(3.7) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.24 R 0.16 G 0.06 C Shift Assignments>> C :: 176.026 CA :: 53.210 CB :: 36.385 CG :: 24.802 CD :: 28.205 CE :: 42.656 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 :: 8.825 HA :: 5.215 HB2 :: 1.973 HB3 :: 1.804 HG2 :: 1.310 HG3 :: 1.310 HD2 :: 1.551 HD3 :: 2.187 HE2 :: 2.646 HE3 :: 2.785 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.635 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.32 K 0.2 G 0.05 C Shift Assignments>> C :: 178.422 CA :: 55.187 CB :: 31.416 CG :: 27.625 CD :: 43.088 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.611 HA :: 4.781 HB2 :: 1.583 HB3 :: 1.999 HG2 :: 1.673 HG3 :: 1.599 HD2 :: 2.882 HD3 :: 2.778 HE :: 7.267 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 :: 124.812 NE :: 85.164 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.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.26 I 0.06 C 0.03 V 0.01 C Shift Assignments>> C :: 179.940 CA :: 55.781 CB :: 18.209 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.234 HA :: 3.936 HB1 :: 1.561 HB2 :: 1.561 HB3 :: 1.561 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.276 Ave N Shift Values>> N :: 123.23(3.7) 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 :: 174.793 CA :: 59.241 CB :: 62.401 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.917 HA :: 4.271 HB2 :: 3.824 HB3 :: 4.094 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 :: 108.596 Ave N Shift Values>> N :: 116.3(3.95) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.19 D 0.16 R 0.1 C 0.1 F 0.09 Y 0.07 N 0.02 C Shift Assignments>> C :: 177.639 CA :: 55.501 CB :: 41.874 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 :: 7.862 HA :: 4.863 HB2 :: 2.982 HB3 :: 2.982 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 :: 120.096 Ave N Shift Values>> N :: 120.73(4.2) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.45 A 0.08 C Shift Assignments>> C :: 176.358 CA :: 56.448 CB :: 31.139 CG :: 32.447 CE :: 17.148 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.607 HA :: 4.337 HB2 :: 2.144 HB3 :: 2.228 HG2 :: 2.808 HG3 :: 2.685 HE1 :: 2.111 HE2 :: 2.111 HE3 :: 2.111 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.486 Ave N Shift Values>> N :: 120.1(3.88) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.906 CA :: 45.172 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.679 HA2 :: 4.278 HA3 :: 3.814 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.357 Ave N Shift Values>> N :: 109.91(4.29) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.13 M 0.02 HN Overlap>> 1.Y123 1.V145 1.Y123 1.V145 C Shift Assignments>> C :: 177.165 CA :: 58.319 CB :: 34.023 CG :: 24.494 CD :: 29.188 CE :: 42.038 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 :: 8.258 HA :: 4.395 HB2 :: 1.898 HB3 :: 1.898 HG2 :: 1.480 HG3 :: 1.372 HD2 :: 1.741 HD3 :: 1.741 HE2 :: 3.033 HE3 :: 3.033 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.437 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.704 CA :: 59.575 CB :: 63.776 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.594 HA :: 4.677 HB2 :: 3.943 HB3 :: 4.177 HG :: 4.850 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.111 Ave N Shift Values>> N :: 116.3(3.95) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.117 CA :: 67.666 CB :: 31.688 CG1 :: 21.888 CG2 :: 23.644 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 :: 7.764 HA :: 3.522 HB :: 2.346 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 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 :: 123.335 Ave N Shift Values>> N :: 121.02(4.96) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.36 A 0.05 C Shift Assignments>> C :: 178.303 CA :: 55.981 CB :: 29.182 CG :: 32.004 CE :: 15.732 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.613 HA :: 4.457 HB2 :: 2.104 HB3 :: 1.822 HG2 :: 2.509 HG3 :: 2.689 HE1 :: 1.955 HE2 :: 1.955 HE3 :: 1.955 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.979 Ave N Shift Values>> N :: 120.1(3.88) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.33 E 0.23 K 0.03 C Shift Assignments>> C :: 179.327 CA :: 59.890 CB :: 28.555 CG :: 36.986 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.373 HA :: 3.883 HB2 :: 1.948 HB3 :: 2.075 HG2 :: 2.336 HG3 :: 2.336 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.219 Ave N Shift Values>> N :: 120.68(3.68) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.570 CA :: 66.492 CB :: 68.656 CG2 :: 23.215 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 :: 7.421 HA :: 3.744 HB :: 4.037 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 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 :: 118.213 Ave N Shift Values>> N :: 115.7(5.05) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 176.833 CA :: 67.378 CB :: 31.387 CG1 :: 21.992 CG2 :: 20.751 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 :: 7.863 HA :: 3.415 HB :: 2.438 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 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 :: 121.979 Ave N Shift Values>> N :: 121.02(4.96) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.925 CA :: 65.844 CB :: 38.579 CG1 :: 30.145 CG2 :: 17.900 CD1 :: 14.432 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 :: 8.127 HA :: 3.202 HB :: 1.730 HG12 :: 1.775 HG13 :: 0.662 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 117.019 Ave N Shift Values>> N :: 121.6(4.72) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.29 I 0.05 C 0.03 HN Overlap>> 1.R2 1.R2 C Shift Assignments>> C :: 181.410 CA :: 55.468 CB :: 17.871 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.604 HA :: 4.157 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.250 Ave N Shift Values>> N :: 123.23(3.7) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 F 0.26 C Shift Assignments>> C :: 177.544 CA :: 57.331 CB :: 37.950 CD1 :: 129.026 CD2 :: 129.026 CE1 :: 131.611 CE2 :: 131.611 CZ :: 129.155 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 :: 8.248 HA :: 4.581 HB2 :: 2.921 HB3 :: 2.812 HD1 :: 6.812 HD2 :: 6.812 HE1 :: 7.182 HE2 :: 7.182 HZ :: 6.872 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 :: 116.635 Ave N Shift Values>> N :: 120.69(4.18) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.37 C 0.02 I 0.01 HN Overlap>> 1.A57 1.A57 C Shift Assignments>> C :: 179.598 CA :: 53.938 CB :: 18.534 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.207 HA :: 4.515 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.795 Ave N Shift Values>> N :: 123.23(3.7) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.17 C 0.11 K 0.1 N 0.1 F 0.1 Y 0.08 R 0.02 C Shift Assignments>> C :: 179.181 CA :: 54.621 CB :: 40.876 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 :: 7.794 HA :: 4.740 HB2 :: 2.864 HB3 :: 2.759 HD21 :: 7.319 HD22 :: 7.719 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 :: 110.705 ND2 :: 112.583 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 K 0.17 Q 0.11 I 0.03 M 0.03 C Shift Assignments>> C :: 175.685 CA :: 55.812 CB :: 28.857 CG :: 35.746 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 :: 7.886 HA :: 4.478 HB2 :: 2.109 HB3 :: 2.266 HG2 :: 2.103 HG3 :: 2.491 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 :: 125.152 Ave N Shift Values>> N :: 120.68(3.68) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.602 CA :: 63.940 CB :: 31.852 CG :: 27.635 CD :: 51.732 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 :: 4.260 HB2 :: 2.028 HB3 :: 2.278 HG2 :: 2.197 HG3 :: 1.960 HD2 :: 4.180 HD3 :: 3.632 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.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.200 CA :: 46.103 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.999 HA2 :: 4.064 HA3 :: 3.912 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.639 Ave N Shift Values>> N :: 109.91(4.29) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.26 R 0.02 G 0.02 A 0.02 C Shift Assignments>> C :: 176.762 CA :: 54.864 CB :: 42.335 CG :: 26.358 CD1 :: 23.540 CD2 :: 24.581 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.925 HA :: 4.206 HB2 :: 2.261 HB3 :: 1.187 HG :: 1.954 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.895 HD22 :: 0.895 HD23 :: 0.895 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 :: 121.677 Ave N Shift Values>> N :: 121.98(4.07) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 C 0.14 N 0.13 F 0.13 Y 0.12 L 0.12 K 0.04 I 0.01 C Shift Assignments>> C :: 177.331 CA :: 55.022 CB :: 40.156 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 :: 8.936 HA :: 4.490 HB2 :: 2.445 HB3 :: 3.268 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.582 Ave N Shift Values>> N :: 120.73(4.2) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.682 CA :: 44.595 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.920 HA2 :: 3.448 HA3 :: 4.472 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.643 Ave N Shift Values>> N :: 109.91(4.29) 1.G48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.050 CA :: 44.227 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.502 HA2 :: 3.665 HA3 :: 1.930(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.118 Ave N Shift Values>> N :: 109.91(4.29) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.39 G 0.08 HN Overlap>> 1.C85 1.C85 C Shift Assignments>> C :: 175.599 CA :: 56.624 CB :: 42.927 CD1 :: 133.521 CD2 :: 133.521 CE1 :: 117.823 CE2 :: 117.823 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 :: 8.352 HA :: 5.629 HB2 :: 2.599 HB3 :: 2.783 HD1 :: 6.966 HD2 :: 6.966 HE1 :: 6.693 HE2 :: 6.693 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.408 Ave N Shift Values>> N :: 120.79(4.69) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.3 R 0.17 C Shift Assignments>> C :: 175.030 CA :: 54.128 CB :: 45.010 CG :: 29.488 CD1 :: 26.681 CD2 :: 28.249 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.737 HA :: 5.562 HB2 :: 1.498 HB3 :: 1.545 HG :: 1.718 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 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 :: 120.524 Ave N Shift Values>> N :: 121.98(4.07) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.28 C 0.15 R 0.02 C Shift Assignments>> C :: 174.309 CA :: 52.708 CB :: 44.840 CG :: 26.953 CD1 :: 25.125 CD2 :: 26.376 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 :: 8.293 HA :: 5.158 HB2 :: 1.154 HB3 :: 1.537 HG :: 1.380 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.746 HD22 :: 0.746 HD23 :: 0.746 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.160 Ave N Shift Values>> N :: 121.98(4.07) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 G 0.16 L 0.06 K 0.01 C Shift Assignments>> C :: 176.240 CA :: 55.159 CB :: 43.913 CG :: 29.814 CD1 :: 26.214 CD2 :: 26.214 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 :: 9.319 HA :: 4.999 HB2 :: 1.899 HB3 :: 1.601 HG :: 1.607 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.939 Ave N Shift Values>> N :: 121.98(4.07) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 173.370 CA :: 44.878 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.798 HA2 :: 3.694 HA3 :: 4.458 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.520 Ave N Shift Values>> N :: 109.91(4.29) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 172.232 CA :: 60.199 CB :: 35.398 CG1 :: 23.369 CG2 :: 22.487 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 :: 7.792 HA :: 4.916 HB :: 2.139 HG11 :: 1.101 HG12 :: 1.101 HG13 :: 1.101 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 120.542 Ave N Shift Values>> N :: 121.02(4.96) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.05 L 0.05 R 0.01 C Shift Assignments>> C :: 174.200 CA :: 51.755 CB :: 45.296 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 :: 8.768 HA :: 4.918 HB2 :: 2.472 HB3 :: 2.472 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 :: 121.268 Ave N Shift Values>> N :: 120.73(4.2) 1.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.44 H 0.02 C Shift Assignments>> C :: 174.319 CA :: 55.493 CB :: 31.534 CD1 :: 126.399 CE3 :: 119.846 CZ2 :: 114.414 CZ3 :: 122.220 CH2 :: 124.399 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 :: 8.489 HA :: 5.601 HB2 :: 2.045 HB3 :: 2.818 HD1 :: 6.751 HE1 :: 9.996 HE3 :: 7.130 HZ2 :: 7.517 HZ3 :: 6.860 HH2 :: 7.299 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.512 NE1 :: 129.231 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.25 C 0.15 M 0.11 K 0.01 HN Overlap>> 1.A40 1.A40 C Shift Assignments>> C :: 175.386 CA :: 50.793 CB :: 22.287 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.197 HA :: 4.514 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.785 Ave N Shift Values>> N :: 123.23(3.7) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 177.141 CA :: 60.026 CB :: 38.325 CG1 :: 27.608 CG2 :: 17.267 CD1 :: 12.887 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 :: 4.868 HB :: 1.720 HG12 :: 1.494 HG13 :: 1.205 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 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 :: 121.462 Ave N Shift Values>> N :: 121.6(4.72) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.16 D 0.15 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 177.085 CA :: 51.026 CB :: 38.770 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 :: 8.830 HA :: 4.867 HB2 :: 3.582 HB3 :: 2.896 HD21 :: 7.569 HD22 :: 7.657 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.423 ND2 :: 111.627 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.19 C 0.17 D 0.16 L 0.1 N 0.07 K 0.03 I 0.03 C Shift Assignments>> C :: 176.925 CA :: 56.181 CB :: 39.825 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 :: 8.452 HA :: 4.331 HB2 :: 2.727 HB3 :: 2.727 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 :: 116.932 Ave N Shift Values>> N :: 120.73(4.2) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.33 R 0.22 M 0.03 C Shift Assignments>> C :: 176.880 CA :: 55.341 CB :: 32.549 CG :: 24.493 CD :: 28.568 CE :: 42.030 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.518 HA :: 4.401 HB2 :: 1.988 HB3 :: 1.804 HG2 :: 1.464 HG3 :: 1.406 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 3.002 HE3 :: 3.002 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.519 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 173.987 CA :: 44.900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.001 HA2 :: 4.293 HA3 :: 3.510 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.971 Ave N Shift Values>> N :: 109.91(4.29) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 K 0.11 N 0.1 C 0.1 F 0.06 Y 0.05 R 0.04 C Shift Assignments>> C :: 175.125 CA :: 53.570 CB :: 41.408 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 :: 7.930 HA :: 4.782 HB2 :: 2.453 HB3 :: 2.664 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 :: 121.761 Ave N Shift Values>> N :: 120.73(4.2) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.702 CA :: 63.647 CB :: 68.196 CG2 :: 21.977 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 :: 8.733 HA :: 4.405 HB :: 3.948 HG21 :: 0.602 HG22 :: 0.602 HG23 :: 0.602 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 :: 119.395 Ave N Shift Values>> N :: 115.7(5.05) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 175.481 CA :: 60.989 CB :: 33.726 CG1 :: 21.005 CG2 :: 20.582 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 :: 8.736 HA :: 4.496 HB :: 1.931 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 128.111 Ave N Shift Values>> N :: 121.02(4.96) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.358 CA :: 57.439 CB :: 40.135 CD1 :: 133.332 CD2 :: 133.332 CE1 :: 118.151 CE2 :: 118.151 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 :: 10.289 HA :: 5.228 HB2 :: 2.544 HB3 :: 2.771 HD1 :: 6.912 HD2 :: 6.912 HE1 :: 6.294 HE2 :: 6.294 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 :: 128.555 Ave N Shift Values>> N :: 120.79(4.69) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.35 K 0.15 G 0.11 C Shift Assignments>> C :: 172.659 CA :: 52.350 CB :: 32.010 CG :: 26.376 CD :: 42.989 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.443 HA :: 5.134 HB2 :: 1.776 HB3 :: 1.674 HG2 :: 1.353 HG3 :: 1.578 HD2 :: 3.067 HD3 :: 3.114 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.137 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.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.545 CA :: 62.799 CB :: 32.323 CG :: 27.358 CD :: 50.313 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 :: 4.560 HB2 :: 1.951 HB3 :: 1.951 HG2 :: 2.309 HG3 :: 1.895 HD2 :: 3.837 HD3 :: 3.759 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.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.704 CA :: 62.711 CB :: 33.861 CG1 :: 21.972 CG2 :: 20.294 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 :: 8.421 HA :: 4.423 HB :: 2.140 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.449 Ave N Shift Values>> N :: 121.02(4.96) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.161 CA :: 43.913 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.379 HA2 :: 4.550 HA3 :: 4.005 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.832 Ave N Shift Values>> N :: 109.91(4.29) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.33 C 0.09 A 0.01 C Shift Assignments>> C :: 174.580 CA :: 50.805 CB :: 44.200 CG :: 26.327 CD1 :: 25.979 CD2 :: 24.070 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 :: 8.028 HA :: 4.906 HB2 :: 1.404 HB3 :: 1.452 HG :: 1.791 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.911 HD22 :: 0.911 HD23 :: 0.911 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 :: 121.046 Ave N Shift Values>> N :: 121.98(4.07) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.396 CA :: 63.639 CB :: 31.688 CG :: 27.235 CD :: 50.751 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 :: 4.405 HB2 :: 2.341 HB3 :: 1.918 HG2 :: 2.095 HG3 :: 2.009 HD2 :: 3.919 HD3 :: 3.682 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.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.27 C 0.12 L 0.11 F 0.04 Y 0.04 K 0.03 C Shift Assignments>> C :: 173.821 CA :: 52.115 CB :: 40.664 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 :: 8.398 HA :: 4.779 HB2 :: 2.950 HB3 :: 2.473 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 :: 116.070 Ave N Shift Values>> N :: 120.73(4.2) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 177.677 CA :: 65.299 CB :: 32.323 CG :: 27.275 CD :: 49.880 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 :: 3.966 HB2 :: 2.094 HB3 :: 2.094 HG2 :: 2.217 HG3 :: 2.090 HD2 :: 3.919 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.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.14 K 0.13 L 0.13 D 0.11 I 0.03 R 0.02 N 0.02 C Shift Assignments>> C :: 178.208 CA :: 57.067 CB :: 40.741 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 :: 8.251 HA :: 4.366 HB2 :: 2.626 HB3 :: 2.626 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.891 Ave N Shift Values>> N :: 120.73(4.2) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.17 M 0.01 C Shift Assignments>> C :: 178.009 CA :: 59.149 CB :: 32.626 CG :: 24.822 CD :: 28.956 CE :: 42.025 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.441 HA :: 3.882 HB2 :: 1.837 HB3 :: 1.837 HG2 :: 1.355 HG3 :: 1.421 HD2 :: 1.697 HD3 :: 1.641 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.964 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.687 CA :: 66.456 CB :: 31.373 CG1 :: 21.866 CG2 :: 23.226 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 :: 7.559 HA :: 3.710 HB :: 2.057 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 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 :: 117.996 Ave N Shift Values>> N :: 121.02(4.96) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.2 Q 0.19 E 0.13 I 0.07 R 0.04 P 0.01 M 0.01 C Shift Assignments>> C :: 177.236 CA :: 59.909 CB :: 28.628 CG :: 34.194 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 :: 8.004 HA :: 3.795 HB2 :: 2.085 HB3 :: 2.217 HG2 :: 2.496 HG3 :: 2.380 HE21 :: 6.807 HE22 :: 6.646 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 :: 117.724 NE2 :: 108.117 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 179.707 CA :: 59.505 CB :: 30.134 CG :: 27.659 CD :: 43.568 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 :: 7.944 HA :: 4.018 HB2 :: 1.950 HB3 :: 1.877 HG2 :: 1.644 HG3 :: 1.855 HD2 :: 3.239 HD3 :: 3.165 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.235 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.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.05 K 0.03 N 0.03 E 0.01 C Shift Assignments>> C :: 178.517 CA :: 57.073 CB :: 39.834 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 :: 8.864 HA :: 4.420 HB2 :: 2.537 HB3 :: 2.828 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 :: 122.022 Ave N Shift Values>> N :: 120.73(4.2) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.39 R 0.11 K 0.01 HN Overlap>> 1.M97 1.M97 C Shift Assignments>> C :: 179.418 CA :: 58.000 CB :: 41.403 CG :: 27.467 CD1 :: 24.510 CD2 :: 26.068 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 :: 8.586 HA :: 4.100 HB2 :: 1.538 HB3 :: 1.761 HG :: 1.514 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 121.061 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>> M 0.63 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 180.983 CA :: 55.756 CB :: 17.896 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.483 HA :: 3.897 HB1 :: 1.541 HB2 :: 1.541 HB3 :: 1.541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 123.23(3.7) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R19 1.R19 C Shift Assignments>> C :: 178.256 CA :: 61.308 CB :: 62.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.280 HA :: 4.298 HB2 :: 4.101 HB3 :: 4.101 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 :: 114.000 Ave N Shift Values>> N :: 116.3(3.95) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.18 E 0.18 Q 0.17 I 0.08 R 0.02 M 0.01 C Shift Assignments>> C :: 179.442 CA :: 59.876 CB :: 28.856 CG :: 34.519 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 :: 8.687 HA :: 4.072 HB2 :: 2.281 HB3 :: 2.281 HG2 :: 2.774 HG3 :: 2.424 HE21 :: 7.181 HE22 :: 6.523 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 :: 122.986 NE2 :: 108.378 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.4 C 0.04 HN Overlap>> 1.Y49 1.Y49 C Shift Assignments>> C :: 175.671 CA :: 64.587 CB :: 26.639 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.402 HA :: 4.060 HB2 :: 3.036 HB3 :: 2.773 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.410 Ave N Shift Values>> N :: 119.95(4.79) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.34 C 0.03 C Shift Assignments>> C :: 178.693 CA :: 53.893 CB :: 19.156 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.665 HA :: 4.358 HB1 :: 1.557 HB2 :: 1.557 HB3 :: 1.557 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.482 Ave N Shift Values>> N :: 123.23(3.7) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 T 0.23 HN Overlap>> 1.T127 1.T127 C Shift Assignments>> C :: 175.505 CA :: 59.796 CB :: 66.156 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.747 HA :: 4.786 HB2 :: 3.850 HB3 :: 3.884 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 :: 110.328 Ave N Shift Values>> N :: 116.3(3.95) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.44 A 0.05 C Shift Assignments>> C :: 176.406 CA :: 57.082 CB :: 33.911 CG :: 33.235 CE :: 17.287 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.399 HA :: 4.556 HB2 :: 2.193 HB3 :: 2.154 HG2 :: 2.634 HG3 :: 2.799 HE1 :: 2.115 HE2 :: 2.115 HE3 :: 2.115 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.674 Ave N Shift Values>> N :: 120.1(3.88) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.18 A 0.05 R 0.02 G 0.01 C Shift Assignments>> C :: 175.789 CA :: 52.388 CB :: 41.710 CG :: 26.991 CD1 :: 25.428 CD2 :: 23.240 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 :: 8.756 HA :: 5.169 HB2 :: 1.430 HB3 :: 2.270 HG :: 1.630 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.622 HD22 :: 0.622 HD23 :: 0.622 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.824 Ave N Shift Values>> N :: 121.98(4.07) 1.N90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 E 0.26 M 0.13 K 0.08 Y 0.07 Q 0.05 F 0.02 N 0.02 I 0.02 V 0.01 W 0.01 C Shift Assignments>> C :: 174.366 CA :: 56.415 CB :: 35.761 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 :: 8.956 HA :: 3.844 HB2 :: 2.518 HB3 :: 1.465(S) HD21 :: 7.457 HD22 :: 6.726 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 :: 117.523 ND2 :: 116.352 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.32 C Shift Assignments>> C :: 174.058 CA :: 59.234 CB :: 34.837 CG1 :: 20.680 CG2 :: 19.385 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.838 HA :: 4.112 HB :: 1.649 HG11 :: 0.536 HG12 :: 0.536 HG13 :: 0.536 HG21 :: 0.539 HG22 :: 0.539 HG23 :: 0.539 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 :: 114.035 Ave N Shift Values>> N :: 121.02(4.96) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 C 0.01 C Shift Assignments>> C :: 176.524 CA :: 52.374 CB :: 18.479 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.227 HA :: 4.342 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.038 Ave N Shift Values>> N :: 123.23(3.7) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.36 C 0.17 A 0.03 R 0.02 C Shift Assignments>> C :: 175.860 CA :: 53.610 CB :: 44.676 CG :: 26.950 CD1 :: 25.600 CD2 :: 23.222 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 :: 7.647 HA :: 4.454 HB2 :: 1.333 HB3 :: 1.333 HG :: 1.610 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.302 Ave N Shift Values>> N :: 121.98(4.07) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.3 G 0.13 K 0.05 L 0.02 C Shift Assignments>> C :: 172.350 CA :: 52.718 CB :: 30.282 CG :: 26.805 CD :: 43.277 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.725 HA :: 4.677 HB2 :: 1.784 HB3 :: 1.619 HG2 :: 1.484 HG3 :: 1.484 HD2 :: 3.166 HD3 :: 3.166 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.990 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.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.637 CA :: 62.539 CB :: 32.637 CG :: 27.152 CD :: 50.177 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 :: 4.608 HB2 :: 1.667 HB3 :: 2.017 HG2 :: 1.800 HG3 :: 1.970 HD2 :: 3.317 HD3 :: 3.634 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.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 M 0.22 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 175.694 CA :: 55.824 CB :: 31.521 CG :: 36.129 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 :: 8.791 HA :: 4.544 HB2 :: 2.313 HB3 :: 2.140 HG2 :: 2.415 HG3 :: 2.354 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 :: 123.111 Ave N Shift Values>> N :: 120.68(3.68) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 A 0.38 M 0.17 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> C :: 175.315 CA :: 54.546 CB :: 37.337 CG :: 33.234 CE :: 17.597 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.620 HA :: 5.805 HB2 :: 2.073 HB3 :: 1.849 HG2 :: 2.556 HG3 :: 2.459 HE1 :: 2.073 HE2 :: 2.073 HE3 :: 2.073 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.036 Ave N Shift Values>> N :: 120.1(3.88) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.38 Q 0.11 E 0.05 K 0.01 C Shift Assignments>> C :: 174.082 CA :: 55.207 CB :: 32.923 CG :: 33.567 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 :: 8.950 HA :: 4.595 HB2 :: 2.065 HB3 :: 2.018 HG2 :: 2.229 HG3 :: 2.386 HE21 :: 7.821 HE22 :: 6.847 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 :: 120.448 NE2 :: 113.093 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.22 G 0.06 R 0.05 C Shift Assignments>> C :: 177.283 CA :: 54.113 CB :: 42.923 CG :: 26.379 CD1 :: 25.736 CD2 :: 25.223 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 :: 8.692 HA :: 5.240 HB2 :: 1.275 HB3 :: 1.793 HG :: 1.668 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.352 Ave N Shift Values>> N :: 121.98(4.07) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 M 0.03 E 0.02 C Shift Assignments>> C :: 174.200 CA :: 55.511 CB :: 35.293 CG :: 37.325 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.028 HA :: 4.665 HB2 :: 1.933 HB3 :: 1.741 HG2 :: 2.199 HG3 :: 2.199 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 :: 123.134 Ave N Shift Values>> N :: 120.68(3.68) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 M 0.18 K 0.16 E 0.12 R 0.01 C Shift Assignments>> C :: 176.311 CA :: 54.537 CB :: 30.279 CG :: 34.132 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 :: 8.693 HA :: 5.240 HB2 :: 1.984 HB3 :: 1.784 HG2 :: 2.268 HG3 :: 2.153 HE21 :: 7.359 HE22 :: 6.767 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 :: 121.443 NE2 :: 111.178 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.548 CA :: 61.489 CB :: 34.266 CG1 :: 21.052 CG2 :: 21.668 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.098 HA :: 4.187 HB :: 1.770 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 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 :: 124.994 Ave N Shift Values>> N :: 121.02(4.96) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.18 L 0.03 C Shift Assignments>> C :: 175.837 CA :: 47.035 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.209 HA2 :: 3.890 HA3 :: 3.826 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.439 Ave N Shift Values>> N :: 109.91(4.29) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.441 CA :: 44.829 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.645 HA2 :: 3.640 HA3 :: 4.145 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.856 Ave N Shift Values>> N :: 109.91(4.29) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.35 R 0.15 G 0.02 A 0.01 M 0.01 C Shift Assignments>> C :: 175.244 CA :: 53.190 CB :: 33.717 CG :: 24.057 CD :: 27.929 CE :: 42.351 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.706 HA :: 4.643 HB2 :: 1.888 HB3 :: 1.325 HG2 :: 1.163 HG3 :: 1.348 HD2 :: 1.488 HD3 :: 1.441 HE2 :: 2.971 HE3 :: 2.971 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.056 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.587 CA :: 63.953 CB :: 68.679 CG2 :: 23.540 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 :: 8.949 HA :: 4.598 HB :: 4.098 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 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 :: 118.922 Ave N Shift Values>> N :: 115.7(5.05) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.29 C 0.21 R 0.08 C Shift Assignments>> C :: 174.414 CA :: 53.149 CB :: 44.535 CG :: 28.367 CD1 :: 25.422 CD2 :: 25.422 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.235 HA :: 4.921 HB2 :: 1.531 HB3 :: 1.489 HG :: 1.834 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.593 Ave N Shift Values>> N :: 121.98(4.07) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.19 L 0.17 A 0.04 R 0.01 C Shift Assignments>> C :: 173.916 CA :: 53.580 CB :: 45.475 CG :: 26.992 CD1 :: 23.158 CD2 :: 26.499 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 :: 8.020 HA :: 5.110 HB2 :: 1.797 HB3 :: 1.121 HG :: 1.394 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.628 Ave N Shift Values>> N :: 121.98(4.07) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.28 C Shift Assignments>> C :: 175.078 CA :: 62.067 CB :: 32.939 CG1 :: 22.578 CG2 :: 21.344 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.020 HA :: 4.488 HB :: 2.244 HG11 :: 1.063 HG12 :: 1.063 HG13 :: 1.063 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 128.417 Ave N Shift Values>> N :: 121.02(4.96) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.48 C Shift Assignments>> C :: 174.532 CA :: 59.986 CB :: 34.819 CG1 :: 21.339 CG2 :: 20.733 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 :: 8.979 HA :: 5.003 HB :: 2.193 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.073 Ave N Shift Values>> N :: 121.02(4.96) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 173.346 CA :: 55.915 CB :: 40.229 CD1 :: 132.874 CD2 :: 132.874 CE1 :: 117.201 CE2 :: 117.201 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 :: 9.508 HA :: 4.748 HB2 :: 2.675 HB3 :: 2.717 HD1 :: 6.014 HD2 :: 6.014 HE1 :: 6.340 HE2 :: 6.340 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 :: 126.961 Ave N Shift Values>> N :: 120.79(4.69) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.36 A 0.02 C Shift Assignments>> C :: 171.283 CA :: 58.121 CB :: 33.262 CG1 :: 20.461 CG2 :: 22.289 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 :: 8.342 HA :: 3.937 HB :: 1.885 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 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 :: 129.647 Ave N Shift Values>> N :: 121.02(4.96) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 175.779 CA :: 61.097 CB :: 31.712 CG :: 26.378 CD :: 50.407 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 :: 3.992 HB2 :: 2.200 HB3 :: 1.712 HG2 :: 1.861 HG3 :: 1.861 HD2 :: 3.585 HD3 :: 3.321 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.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.14 Q 0.1 M 0.05 I 0.04 C Shift Assignments>> C :: 177.734 CA :: 56.642 CB :: 29.475 CG :: 35.779 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 :: 7.987 HA :: 4.150 HB2 :: 1.709 HB3 :: 2.169 HG2 :: 2.295 HG3 :: 2.648 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 :: 120.467 Ave N Shift Values>> N :: 120.68(3.68) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.14 C 0.02 C Shift Assignments>> C :: 176.904 CA :: 51.746 CB :: 19.492 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.516 HA :: 4.235 HB1 :: 1.285 HB2 :: 1.285 HB3 :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.249 Ave N Shift Values>> N :: 123.23(3.7) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.2 K 0.16 R 0.1 C 0.1 F 0.06 Y 0.05 N 0.04 C Shift Assignments>> C :: 178.279 CA :: 54.562 CB :: 42.021 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 :: 8.464 HA :: 4.420 HB2 :: 2.244 HB3 :: 2.535 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 :: 120.351 Ave N Shift Values>> N :: 120.73(4.2) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.473 CA :: 65.982 CB :: 31.485 CG1 :: 20.538 CG2 :: 20.967 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 :: 8.534 HA :: 3.684 HB :: 2.238 HG11 :: 1.055 HG12 :: 1.055 HG13 :: 1.055 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.535 Ave N Shift Values>> N :: 121.02(4.96) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.542 CA :: 63.960 CB :: 69.206 CG2 :: 21.672 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 :: 8.270 HA :: 4.128 HB :: 4.051 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 111.483 Ave N Shift Values>> N :: 115.7(5.05) 1.H119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.38 W 0.21 C Shift Assignments>> C :: 174.319 CA :: 55.268 CB :: 32.020 CD2 :: 118.152 CE1 :: 137.908 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.899 HA :: 4.756 HB2 :: 2.977 HB3 :: 3.150 HD2 :: 6.952 HE1 :: 7.895 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.158 ND1 :: 219.455 NE2 :: 174.552 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.31 K 0.17 M 0.06 C Shift Assignments>> C :: 174.864 CA :: 56.036 CB :: 33.590 CG :: 26.043 CD :: 31.677 CE :: 41.875 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.004 HA :: 4.152 HB2 :: 1.776 HB3 :: 1.776 HG2 :: 1.398 HG3 :: 1.767 HD2 :: 1.656 HD3 :: 2.014 HE2 :: 3.196 HE3 :: 3.246 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 :: 116.347 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.77 P 0.21 C Shift Assignments>> C :: 175.380 CA :: 61.764 CB :: 34.198 CG :: 24.792 CD :: 50.207 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 :: 4.458 HB2 :: 2.337 HB3 :: 1.959 HG2 :: 1.911 HG3 :: 2.004 HD2 :: 3.411 HD3 :: 3.776 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.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.13 A 0.05 M 0.01 C Shift Assignments>> C :: 176.662 CA :: 57.959 CB :: 35.768 CG1 :: 27.613 CG2 :: 19.157 CD1 :: 10.069 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.999 HA :: 5.046 HB :: 1.952 HG12 :: 1.559 HG13 :: 1.172 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 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 :: 124.295 Ave N Shift Values>> N :: 121.6(4.72) 1.Y123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 Y 0.41 HN Overlap>> 1.K30 1.K30 C Shift Assignments>> C :: 172.910 CA :: 55.553 CB :: 40.453 CD1 :: 134.679 CD2 :: 134.679 CE1 :: 117.507 CE2 :: 117.507 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 :: 8.308 HA :: 4.780 HB2 :: 2.983 HB3 :: 2.880 HD1 :: 6.928 HD2 :: 6.928 HE1 :: 6.769 HE2 :: 6.769 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.442 Ave N Shift Values>> N :: 120.79(4.69) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.03 C Shift Assignments>> C :: 176.619 CA :: 56.415 CB :: 32.653 CG :: 25.419 CD :: 29.590 CE :: 41.533 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 :: 8.674 HA :: 4.413 HB2 :: 1.772 HB3 :: 1.885 HG2 :: 1.300 HG3 :: 1.478 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 2.897 HE3 :: 2.897 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.582 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.16 M 0.02 C Shift Assignments>> C :: 177.212 CA :: 58.313 CB :: 32.684 CG :: 25.098 CD :: 29.485 CE :: 41.715 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 :: 8.439 HA :: 4.065 HB2 :: 1.637 HB3 :: 1.567 HG2 :: 1.108 HG3 :: 1.284 HD2 :: 1.564 HD3 :: 1.608 HE2 :: 2.943 HE3 :: 2.861 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.034 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 178.033 CA :: 53.017 CB :: 19.154 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.707 HA :: 4.336 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.183 Ave N Shift Values>> N :: 123.23(3.7) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.S87 1.S87 C Shift Assignments>> C :: 175.400 CA :: 61.791 CB :: 69.697 CG2 :: 21.674 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 :: 7.804 HA :: 4.361 HB :: 4.290 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 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 :: 110.291 Ave N Shift Values>> N :: 115.7(5.05) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 172.943 CA :: 44.890 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.169 HA2 :: 4.003 HA3 :: 3.871 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.017 Ave N Shift Values>> N :: 109.91(4.29) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.19 A 0.02 R 0.02 C Shift Assignments>> C :: 175.481 CA :: 52.980 CB :: 41.720 CG :: 26.715 CD1 :: 25.070 CD2 :: 23.798 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 :: 8.016 HA :: 4.294 HB2 :: 1.431 HB3 :: 1.371 HG :: 1.429 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 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 :: 121.964 Ave N Shift Values>> N :: 121.98(4.07) 1.P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.535 CA :: 63.342 CB :: 31.706 CG :: 27.301 CD :: 50.480 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 :: 4.384 HB2 :: 2.252 HB3 :: 1.903 HG2 :: 2.019 HG3 :: 1.967 HD2 :: 3.533 HD3 :: 3.742 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.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.793 CA :: 45.190 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.459 HA2 :: 3.942 HA3 :: 3.942 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.326 Ave N Shift Values>> N :: 109.91(4.29) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.868 CA :: 45.185 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.202 HA2 :: 3.923 HA3 :: 3.923 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.413 Ave N Shift Values>> N :: 109.91(4.29) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.260 CA :: 52.367 CB :: 19.142 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.089 HA :: 4.266 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.241 Ave N Shift Values>> N :: 123.23(3.7) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 175.386 CA :: 57.807 CB :: 38.595 CD1 :: 133.060 CD2 :: 133.060 CE1 :: 118.151 CE2 :: 118.151 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 :: 8.071 HA :: 4.504 HB2 :: 2.995 HB3 :: 2.932 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 6.789 HE2 :: 6.789 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 :: 118.922 Ave N Shift Values>> N :: 120.79(4.69) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.11 G 0.06 C Shift Assignments>> C :: 175.303 CA :: 55.498 CB :: 31.057 CG :: 26.923 CD :: 43.287 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.011 HA :: 4.262 HB2 :: 1.666 HB3 :: 1.755 HG2 :: 1.497 HG3 :: 1.497 HD2 :: 3.141 HD3 :: 3.141 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.750 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.1 G 0.06 L 0.01 C Shift Assignments>> C :: 176.098 CA :: 55.903 CB :: 30.579 CG :: 26.980 CD :: 43.284 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.318 HA :: 4.302 HB2 :: 1.828 HB3 :: 1.725 HG2 :: 1.620 HG3 :: 1.568 HD2 :: 3.168 HD3 :: 3.168 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.904 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.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.619 CA :: 61.144 CB :: 38.572 CG1 :: 27.232 CG2 :: 17.288 CD1 :: 12.637 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 :: 8.255 HA :: 4.157 HB :: 1.844 HG12 :: 1.470 HG13 :: 1.178 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.007 Ave N Shift Values>> N :: 121.6(4.72) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 174.105 CA :: 45.156 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.558 HA2 :: 4.002 HA3 :: 4.002 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.298 Ave N Shift Values>> N :: 109.91(4.29) 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 :: 174.888 CA :: 58.297 CB :: 63.838 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.238 HA :: 4.496 HB2 :: 3.850 HB3 :: 3.932 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 :: 115.629 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: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.262 CA :: 58.621 CB :: 63.692 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.483 HA :: 4.464 HB2 :: 3.863 HB3 :: 3.928 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 :: 117.629 Ave N Shift Values>> N :: 116.3(3.95) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 K 0.11 C 0.11 N 0.1 F 0.08 Y 0.07 R 0.02 HN Overlap>> 1.D15 1.D15 C Shift Assignments>> C :: 176.287 CA :: 54.298 CB :: 41.057 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 :: 8.312 HA :: 4.598 HB2 :: 2.719 HB3 :: 2.642 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 :: 121.975 Ave N Shift Values>> N :: 120.73(4.2) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.24 C 0.24 E 0.11 M 0.06 R 0.05 C Shift Assignments>> C :: 176.169 CA :: 55.996 CB :: 29.182 CG :: 33.775 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 :: 8.293 HA :: 4.284 HB2 :: 2.143 HB3 :: 1.972 HG2 :: 2.353 HG3 :: 2.353 HE21 :: 7.506 HE22 :: 6.840 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.574 NE2 :: 112.370 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.06 L 0.01 HN Overlap>> 1.E147 1.E147 C Shift Assignments>> C :: 176.264 CA :: 56.454 CB :: 30.536 CG :: 26.997 CD :: 43.279 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.336 HA :: 4.271 HB2 :: 1.814 HB3 :: 1.814 HG2 :: 1.624 HG3 :: 1.624 HD2 :: 3.164 HD3 :: 3.164 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.346 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.C144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.12 I 0.12 K 0.11 Q 0.11 W 0.1 E 0.08 H 0.08 L 0.06 C Shift Assignments>> C :: 174.603 CA :: 58.624 CB :: 27.724 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.324 HA :: 4.472 HB2 :: 2.899 HB3 :: 2.899 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.960 Ave N Shift Values>> N :: 119.95(4.79) 1.V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 1.K30 1.K30 C Shift Assignments>> C :: 175.979 CA :: 62.493 CB :: 32.450 CG1 :: 20.431 CG2 :: 21.021 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 :: 8.165 HA :: 4.069 HB :: 2.064 HG11 :: 0.908 HG12 :: 0.908 HG13 :: 0.908 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 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 :: 122.449 Ave N Shift Values>> N :: 121.02(4.96) 1.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 177.084 CA :: 55.013 CB :: 42.236 CG :: 26.832 CD1 :: 24.827 CD2 :: 23.246 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.225 HA :: 4.306 HB2 :: 1.478 HB3 :: 1.570 HG :: 1.564 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.235 Ave N Shift Values>> N :: 121.98(4.07) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.11 K 0.08 Q 0.06 I 0.03 HN Overlap>> 1.R143 1.R143 C Shift Assignments>> C :: 176.074 CA :: 56.444 CB :: 30.312 CG :: 36.068 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 :: 8.258 HA :: 4.184 HB2 :: 1.895 HB3 :: 1.849 HG2 :: 2.185 HG3 :: 2.124 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.268 Ave N Shift Values>> N :: 120.68(3.68) 1.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> H 0.15 R 0.14 Q 0.13 E 0.13 W 0.13 C 0.12 K 0.09 M 0.07 I 0.01 C Shift Assignments>> C :: 174.864 CA :: 56.167 CB :: 30.136 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) N Shift Assignments>> N :: 119.688 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 150 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 153 #Suspicious: 0 C Shift Results: #Consistent: 642 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1028 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 153 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R2 HB3 = 0.762(S), Expected = 1.78, Std = 0.2800, ChiSquare = 2.7721e-04 1.R2 HD3 = 2.391(S), Expected = 3.13, Std = 0.2200, ChiSquare = 7.8199e-04 1.G48 HA3 = 1.930(S), Expected = 3.93, Std = 0.4000, ChiSquare = 5.7330e-07 1.N90 HB3 = 1.465(S), Expected = 2.78, Std = 0.3400, ChiSquare = 1.0989e-04