Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.72 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.937(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.014 HA3 :: 4.014 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 R 0.22 L 0.19 F 0.14 Y 0.1 D 0.06 I 0.02 G 0.01 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> CA :: 57.629 CB :: 42.326 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 :: 8.477 HA :: 4.079 HB2 :: 1.840 HB3 :: 1.636 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 121.911 Ave N Shift Values>> N :: 121.98(4.07) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 59.050 CB :: 63.240 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.341 HB2 :: 3.894 HB3 :: 3.828 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.32 L 0.18 N 0.15 F 0.11 Y 0.1 K 0.09 R 0.01 C Shift Assignments>> C :: 176.663 CA :: 54.380(D) CB :: 40.673(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.599 HB2 :: 2.693 HB3 :: 2.693 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 R 0.03 A 0.01 C Shift Assignments>> C :: 178.032(D) CA :: 55.649(D) CB :: 41.040(D) CG :: 26.991 CD1 :: 25.017 CD2 :: 23.540 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 :: 7.983(D) HA :: 4.220 HB2 :: 1.704 HB3 :: 1.624 HG :: 1.635 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 121.525(D) Ave N Shift Values>> N :: 121.98(4.07) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.993 CA :: 45.573(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.241(D) HA2 :: 3.907 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.867(D) Ave N Shift Values>> N :: 109.91(4.29) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 174.501 CA :: 45.298(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.086(D) HA2 :: 3.936 HA3 :: 3.936 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.442(D) Ave N Shift Values>> N :: 109.91(4.29) 1.R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.65 K 0.2 G 0.08 L 0.05 C Shift Assignments>> C :: 176.518 CA :: 56.092(D) CB :: 29.995(D) CG :: 26.731 CD :: 43.187 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 :: 7.965(D) HA :: 4.336 HB2 :: 1.859 HB3 :: 1.783 HG2 :: 1.644 HG3 :: 1.644 HD2 :: 3.175 HD3 :: 3.175 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 :: 120.077(D) 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.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.M44 1.M44 C Shift Assignments>> C :: 175.952 CA :: 62.222(D) CB :: 31.634(D) CG1 :: 21.468 CG2 :: 20.933 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 :: 7.911(D) HA :: 4.082 HB :: 2.078 HG11 :: 0.897 HG12 :: 0.897 HG13 :: 0.897 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.482(D) Ave N Shift Values>> N :: 121.02(4.96) 1.R12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 E 0.15 W 0.15 Q 0.14 K 0.09 M 0.08 I 0.01 C Shift Assignments>> C :: 176.036 CA :: 56.275(D) CB :: 30.226(D) 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 :: 8.405(D) HA :: 4.328 HB2 :: 1.840 HB3 :: 1.773 HG2 :: 1.643 HG3 :: 1.643 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 :: 123.794(D) 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.N13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.64 D 0.35 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> C :: 175.827 CA :: 52.742(D) CB :: 39.126(D) CG :: 176.971 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 :: 8.199(D) HA :: 4.798 HB2 :: 2.930 HB3 :: 2.845 HD21 :: 6.802(D) HD22 :: 7.597(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.195(D) ND2 :: 113.453(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.812 CA :: 62.289(D) CB :: 39.060(D) CG1 :: 28.493 CG2 :: 17.948 CD1 :: 13.522 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 :: 8.341(D) HA :: 3.989 HB :: 1.913 HG12 :: 1.497 HG13 :: 1.240 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.723(D) Ave N Shift Values>> N :: 121.6(4.72) 1.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.591 CA :: 46.252(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.463(D) HA2 :: 3.950 HA3 :: 3.794 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.784(D) Ave N Shift Values>> N :: 109.91(4.29) 1.D16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.18 F 0.16 Y 0.14 K 0.12 N 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 177.662 CA :: 55.494(D) CB :: 40.630(D) 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 :: 7.791(D) HA :: 4.493 HB2 :: 2.780 HB3 :: 2.780 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.798(D) Ave N Shift Values>> N :: 120.73(4.2) 1.V17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 63.803(D) CB :: 31.629(D) CG1 :: 21.369 CG2 :: 21.608 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 :: 7.521(D) HA :: 3.922 HB :: 2.144 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 117.871(D) Ave N Shift Values>> N :: 121.02(4.96) 1.M18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.84 A 0.12 I 0.03 C Shift Assignments>> C :: 176.676 CA :: 54.822(D) CE :: 15.268 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 :: 7.799(D) HA :: 4.369 HB2 :: 2.292 HB3 :: 2.121 HG2 :: 1.658 HG3 :: 1.277 HE1 :: 1.856 HE2 :: 1.856 HE3 :: 1.856 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.784(D) Ave N Shift Values>> N :: 120.1(3.88) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.59 K 0.18 Q 0.07 M 0.07 I 0.06 C Shift Assignments>> C :: 176.192 CA :: 55.214(D) CB :: 29.214 CG :: 36.436 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 :: 7.678(D) HA :: 4.393 HB2 :: 2.206 HB3 :: 1.887 HG2 :: 2.321 HG3 :: 2.278 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.127(D) Ave N Shift Values>> N :: 120.68(3.68) 1.H20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.54 W 0.45 C Shift Assignments>> CA :: 55.621 CB :: 31.654 CD2 :: 119.095 CE1 :: 138.652 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 :: 7.799(D) HA :: 4.647 HB2 :: 3.275 HB3 :: 3.118 HD2 :: 7.049 HE1 :: 7.739 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 :: 123.218(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.5 P 0.41 I 0.05 W 0.01 C Shift Assignments>> CA :: 65.097 CB :: 32.074 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 :: 2.295 HB3 :: 1.875 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.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.99 C Shift Assignments>> C :: 179.381 CA :: 57.444 CG :: 27.366 CD1 :: 25.173 CD2 :: 23.703 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 :: 8.147 HA :: 4.260 HB2 :: 1.932 HB3 :: 1.611 HG :: 1.840 HD11 :: 0.987 HD12 :: 0.987 HD13 :: 0.987 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.500 CA :: 66.238(D) CB :: 31.218 CG1 :: 21.280 CG2 :: 23.519 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 :: 7.686(D) HA :: 3.629 HB :: 2.414 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 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 :: 120.396(D) Ave N Shift Values>> N :: 121.02(4.96) 1.E24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.42 I 0.27 K 0.17 Q 0.09 M 0.01 R 0.01 HN Overlap>> 1.R119 1.R119 C Shift Assignments>> C :: 180.029 CA :: 59.488(D) CB :: 28.789 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 :: 8.221(D) HA :: 4.054 HB2 :: 2.085 HB3 :: 2.085 HG2 :: 2.368 HG3 :: 2.323 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.291(D) Ave N Shift Values>> N :: 120.68(3.68) 1.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.39 L 0.33 R 0.09 I 0.04 M 0.04 Q 0.02 V 0.02 H 0.01 W 0.01 C Shift Assignments>> C :: 178.763 CA :: 57.191 CD1 :: 24.402 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 :: 8.078(D) HA :: 4.095 HB2 :: 1.771 HB3 :: 1.771 HG :: 1.640 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 1.024 HD22 :: 1.024 HD23 :: 1.024 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 :: 120.200(D) Ave N Shift Values>> N :: 121.98(4.07) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> CA :: 47.501(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.299(D) HA2 :: 3.758 HA3 :: 3.758 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.552(D) Ave N Shift Values>> N :: 109.91(4.29) 1.V27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.041 CA :: 66.745 CB :: 31.292 CG1 :: 20.965 CG2 :: 22.875 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 :: 8.773(D) HA :: 3.530 HB :: 2.192 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 122.413(D) Ave N Shift Values>> N :: 121.02(4.96) 1.S28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.438 CA :: 62.847(D) CB :: 62.690 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.979(D) HA :: 3.828 HB2 :: 4.162 HB3 :: 4.162 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 :: 117.074(D) Ave N Shift Values>> N :: 116.3(3.95) 1.Y29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 178.160 CA :: 60.159(D) CB :: 37.356(D) CD1 :: 131.970 CE1 :: 118.393 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 :: 8.409(D) HA :: 4.334 HB2 :: 3.214 HB3 :: 3.075 HD1 :: 6.930 HE1 :: 6.632 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 :: 122.022(D) Ave N Shift Values>> N :: 120.79(4.69) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.1 H 0.09 Q 0.07 R 0.07 K 0.06 N 0.06 A 0.05 W 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 179.483 CA :: 55.043 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.654(D) HA :: 4.070 HB1 :: 1.579 HB2 :: 1.579 HB3 :: 1.579 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.169(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.37 I 0.03 C Shift Assignments>> CA :: 54.646(D) CB :: 17.212 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.808(D) HA :: 4.104 HB1 :: 1.623 HB2 :: 1.623 HB3 :: 1.623 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.414(D) Ave N Shift Values>> N :: 123.23(3.7) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.98 C Shift Assignments>> C :: 179.080(D) CA :: 57.889 CG :: 26.719 CD1 :: 24.929 CD2 :: 22.965 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 :: 8.251(D) HA :: 3.858 HB2 :: 1.932 HB3 :: 1.788 HG :: 1.525 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 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 :: 121.083(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 K 0.12 C Shift Assignments>> C :: 178.095 CA :: 57.577 CB :: 41.000 CD1 :: 25.234 CD2 :: 24.579 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 :: 8.677(D) HA :: 3.855 HB2 :: 1.818 HB3 :: 1.445 HG :: 1.714 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 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 :: 119.096(D) Ave N Shift Values>> N :: 121.98(4.07) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 62.325 CB :: 62.306 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.087 HB2 :: 3.832 HB3 :: 3.832 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.L111 1.L111 C Shift Assignments>> C :: 176.926 CA :: 65.865 CB :: 31.471 CG1 :: 21.118 CG2 :: 22.984 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.537(D) HA :: 3.666 HB :: 2.347 HG11 :: 0.785 HG12 :: 0.785 HG13 :: 0.785 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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 :: 122.668(D) Ave N Shift Values>> N :: 121.02(4.96) 1.I36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> CA :: 65.055 CB :: 36.823 CG1 :: 28.874 CG2 :: 17.148 CD1 :: 11.955 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 :: 7.521(D) HA :: 3.431 HB :: 2.111 HG12 :: 1.632 HG13 :: 1.083 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.341(D) Ave N Shift Values>> N :: 121.6(4.72) 1.V37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 66.987(D) CB :: 31.253 CG1 :: 22.125 CG2 :: 20.666 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 :: 8.362(D) HA :: 3.474 HB :: 2.176 HG11 :: 1.072 HG12 :: 1.072 HG13 :: 1.072 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.305(D) Ave N Shift Values>> N :: 121.02(4.96) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.007 CA :: 64.572 CB :: 31.360 CG1 :: 22.384 CG2 :: 22.849 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 :: 7.543 HA :: 4.192 HB :: 2.248 HG11 :: 1.167 HG12 :: 1.167 HG13 :: 1.167 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 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 :: 123.550 Ave N Shift Values>> N :: 121.02(4.96) 1.V39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 179.365 CA :: 66.790 CB :: 31.002(D) CG1 :: 21.750 CG2 :: 22.964 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 :: 7.832(D) HA :: 3.674 HB :: 2.270 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.995 HG22 :: 0.995 HG23 :: 0.995 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 :: 121.119(D) Ave N Shift Values>> N :: 121.02(4.96) 1.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> C :: 177.155 CA :: 66.675(D) CB :: 30.408(D) CG1 :: 22.173 CG2 :: 23.217 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 :: 8.550(D) HA :: 3.478 HB :: 2.254 HG11 :: 0.877 HG12 :: 0.877 HG13 :: 0.877 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 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 :: 121.874(D) Ave N Shift Values>> N :: 121.02(4.96) 1.E41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 K 0.14 I 0.14 E 0.13 Q 0.12 R 0.11 H 0.1 L 0.02 M 0.01 V 0.01 C Shift Assignments>> C :: 177.820 CA :: 59.088(D) CB :: 28.674 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 :: 8.134(D) HA :: 3.662 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.415 HG3 :: 2.151 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 :: 120.039(D) Ave N Shift Values>> N :: 120.68(3.68) 1.Y42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 177.155 CA :: 60.030(D) CB :: 39.764 CD1 :: 133.160 CE1 :: 118.567 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.772(D) HA :: 4.340 HB2 :: 3.127 HB3 :: 3.127 HD1 :: 7.090 HE1 :: 6.729 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.765(D) Ave N Shift Values>> N :: 120.79(4.69) 1.T43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.592 CA :: 63.191(D) CB :: 70.910 CG2 :: 22.349 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 :: 7.846(D) HA :: 4.310 HB :: 4.162 HG21 :: 1.317 HG22 :: 1.317 HG23 :: 1.317 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 :: 106.985(D) Ave N Shift Values>> N :: 115.7(5.05) 1.M44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.26 I 0.01 HN Overlap>> 1.V11 1.V11 C Shift Assignments>> C :: 175.042 CA :: 55.334(D) CB :: 32.875(D) CE :: 17.193 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 :: 7.968(D) HA :: 4.599 HB2 :: 2.613 HB3 :: 2.524 HG2 :: 3.174 HG3 :: 3.174 HE1 :: 1.998 HE2 :: 1.998 HE3 :: 1.998 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.555(D) Ave N Shift Values>> N :: 120.1(3.88) 1.Q45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.79 E 0.2 C Shift Assignments>> C :: 175.402 CA :: 55.297(D) CB :: 27.683 CG :: 33.376(D) CD :: 180.796 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 :: 8.267(D) HA :: 4.282 HB2 :: 2.052 HB3 :: 1.948 HG2 :: 2.245 HG3 :: 2.245 HE21 :: 6.666(D) HE22 :: 7.386(D) 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 :: 120.335(D) NE2 :: 112.253(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 G 0.32 A 0.04 K 0.01 C Shift Assignments>> C :: 176.395 CA :: 53.989(D) CB :: 44.052 CD1 :: 26.226 CD2 :: 23.319 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 :: 8.111(D) HA :: 4.428 HB2 :: 1.663 HB3 :: 1.302 HG :: 1.524 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 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 :: 122.962(D) Ave N Shift Values>> N :: 121.98(4.07) 1.S47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.209 CA :: 56.868(D) CB :: 64.649(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.171(D) HA :: 4.535 HB2 :: 4.084 HB3 :: 3.915 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 :: 114.752(D) Ave N Shift Values>> N :: 116.3(3.95) 1.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.559 CA :: 47.221(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.870(D) HA2 :: 4.023 HA3 :: 3.791 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.495(D) Ave N Shift Values>> N :: 109.91(4.29) 1.E49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.49 I 0.24 K 0.15 Q 0.07 M 0.03 C Shift Assignments>> C :: 178.541 CA :: 59.008(D) CB :: 29.220 CG :: 36.044 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 :: 8.898(D) HA :: 3.972 HB2 :: 1.949 HB3 :: 1.836 HG2 :: 2.058 HG3 :: 2.058 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 :: 121.960(D) Ave N Shift Values>> N :: 120.68(3.68) 1.Y50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.98 HN Overlap>> 1.I102 1.I102 C Shift Assignments>> C :: 177.540 CA :: 60.347(D) CB :: 37.310(D) CD1 :: 132.417 CE1 :: 119.009 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.741(D) HA :: 4.225 HB2 :: 3.159 HB3 :: 2.952 HD1 :: 7.072 HE1 :: 6.816 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 :: 118.511(D) Ave N Shift Values>> N :: 120.79(4.69) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.98 C Shift Assignments>> C :: 177.764 CA :: 57.137(D) CB :: 40.504 CG :: 26.598 CD1 :: 23.790 CD2 :: 24.384 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 :: 7.763(D) HA :: 3.794 HB2 :: 1.644 HB3 :: 1.436 HG :: 1.390 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.898 HD22 :: 0.898 HD23 :: 0.898 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 :: 121.528(D) Ave N Shift Values>> N :: 121.98(4.07) 1.V52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.D78 1.D78 1.D142 1.D142 C Shift Assignments>> C :: 177.835 CA :: 67.079(D) CB :: 30.540(D) CG1 :: 21.475 CG2 :: 23.097 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.771(D) HA :: 3.600 HB :: 2.184 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.624(D) Ave N Shift Values>> N :: 121.02(4.96) 1.R53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.5 G 0.25 K 0.11 I 0.08 L 0.03 C Shift Assignments>> C :: 177.779 CA :: 60.013(D) CB :: 29.366(D) CD :: 43.681 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 :: 7.461(D) HA :: 3.868 HB2 :: 2.002 HB3 :: 1.559 HG2 :: 1.769 HG3 :: 1.769 HD2 :: 3.115 HD3 :: 2.957 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.740(D) 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.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 178.828 CA :: 58.516(D) CB :: 40.782 CG :: 26.613 CD1 :: 24.863 CD2 :: 24.801 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 :: 7.957(D) HA :: 3.798 HB2 :: 1.871 HB3 :: 1.871 HG :: 1.429 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 HD21 :: 0.625 HD22 :: 0.625 HD23 :: 0.625 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 :: 120.427(D) Ave N Shift Values>> N :: 121.98(4.07) 1.Y55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.82 H 0.15 W 0.01 C Shift Assignments>> C :: 179.668 CA :: 58.283(D) CB :: 35.587 CD1 :: 131.451 CE1 :: 118.085 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 :: 8.311(D) HA :: 4.650 HB2 :: 3.133 HB3 :: 2.979 HD1 :: 6.796 HE1 :: 6.525 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.695(D) Ave N Shift Values>> N :: 120.79(4.69) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 177.988 CA :: 57.783(D) CB :: 40.736(D) CG :: 26.922 CD1 :: 25.047 CD2 :: 23.564 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 :: 8.433(D) HA :: 4.283 HB2 :: 1.980 HB3 :: 1.627 HG :: 1.899 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.646(D) Ave N Shift Values>> N :: 121.98(4.07) 1.V57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.A141 1.A141 C Shift Assignments>> C :: 177.540 CA :: 66.940(D) CB :: 30.164(D) CG1 :: 20.992 CG2 :: 23.551 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 :: 8.175(D) HA :: 3.511 HB :: 2.318 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.714(D) Ave N Shift Values>> N :: 121.02(4.96) 1.D58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.28 K 0.19 L 0.18 F 0.14 Y 0.1 D 0.04 I 0.02 G 0.02 C Shift Assignments>> C :: 176.369 CA :: 58.065(D) CB :: 42.653(D) 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 :: 8.444(D) HA :: 4.269 HB2 :: 2.876 HB3 :: 2.746 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 :: 118.064(D) Ave N Shift Values>> N :: 120.73(4.2) 1.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.75 K 0.23 C Shift Assignments>> CA :: 57.861(D) CB :: 41.001(D) CD1 :: 24.053 CD2 :: 25.741 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 :: 7.724(D) HA :: 4.039 HB2 :: 2.195 HB3 :: 1.736 HG :: 1.646 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.345(D) Ave N Shift Values>> N :: 121.98(4.07) 1.I60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 64.980 CB :: 36.949 CG1 :: 28.974 CG2 :: 17.053 CD1 :: 12.530 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 :: 7.740(D) HA :: 3.551 HB :: 2.088 HG12 :: 1.758 HG13 :: 1.183 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 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 :: 117.213(D) Ave N Shift Values>> N :: 121.6(4.72) 1.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.8 V 0.17 I 0.01 C Shift Assignments>> CD1 :: 24.913 CD2 :: 22.049 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 :: 8.013(D) HA :: 3.974 HB2 :: 2.238 HB3 :: 2.153 HG :: 1.263 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.362(D) Ave N Shift Values>> N :: 121.98(4.07) 1.V62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.649 CA :: 66.270 CB :: 31.249 CG1 :: 22.601 CG2 :: 23.616 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 :: 8.747(D) HA :: 3.701 HB :: 2.285 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.751(D) Ave N Shift Values>> N :: 121.02(4.96) 1.I63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CB :: 36.807 CG2 :: 17.007 CD1 :: 13.081 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 :: 8.084(D) HA :: 3.537 HB :: 2.082 HG12 :: 2.070 HG13 :: 1.799 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 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 :: 121.694(D) Ave N Shift Values>> N :: 121.6(4.72) 1.I64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> CA :: 65.933 CB :: 37.147 CG1 :: 29.042 CG2 :: 17.106 CD1 :: 13.243 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 :: 7.564(D) HA :: 3.542 HB :: 2.237 HG12 :: 1.936 HG13 :: 0.957 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.428(D) Ave N Shift Values>> N :: 121.6(4.72) 1.L65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.74 V 0.22 I 0.01 A 0.01 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> CA :: 58.629 CD1 :: 24.821 CD2 :: 22.187 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 :: 8.082(D) HA :: 4.189 HB2 :: 2.020 HB3 :: 2.020 HG :: 1.542 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.286(D) Ave N Shift Values>> N :: 121.98(4.07) 1.W66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 C Shift Assignments>> C :: 178.158 CA :: 60.421 CB :: 32.202 CD1 :: 126.270 CE3 :: 120.667 CZ2 :: 114.223 CZ3 :: 121.518 CH2 :: 123.512 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 :: 9.662(D) HA :: 3.764 HB2 :: 3.189 HB3 :: 3.189 HD1 :: 7.145 HE1 :: 10.236(D) HE3 :: 7.497 HZ2 :: 7.032 HZ3 :: 6.844 HH2 :: 6.827 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 :: 124.059(D) NE1 :: 127.938(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.22 I 0.05 C Shift Assignments>> C :: 178.810 CA :: 55.346(D) CB :: 16.792(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.297(D) HA :: 4.013 HB1 :: 1.543 HB2 :: 1.543 HB3 :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.805(D) Ave N Shift Values>> N :: 123.23(3.7) 1.D68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.24 K 0.11 F 0.09 Y 0.06 G 0.05 D 0.04 C Shift Assignments>> C :: 176.605 CA :: 57.377(D) CB :: 43.238(D) 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 :: 7.771(D) HA :: 4.435 HB2 :: 2.744 HB3 :: 2.744 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.246(D) Ave N Shift Values>> N :: 120.73(4.2) 1.Y69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 177.119 CA :: 61.900(D) CB :: 39.518 CD1 :: 132.855 CE1 :: 117.738 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 :: 8.262(D) HA :: 4.037 HB2 :: 3.165 HB3 :: 2.981 HD1 :: 6.904 HE1 :: 6.517 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 :: 120.892(D) Ave N Shift Values>> N :: 120.79(4.69) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.41 I 0.02 C Shift Assignments>> C :: 179.298 CA :: 54.503(D) CB :: 17.434(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.115(D) HA :: 3.870 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.861(D) Ave N Shift Values>> N :: 123.23(3.7) 1.Y71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 177.262 CA :: 61.717(D) CB :: 37.626 CD1 :: 133.515 CE1 :: 118.575 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 :: 8.360(D) HA :: 4.123 HB2 :: 3.274 HB3 :: 3.156 HD1 :: 7.041 HE1 :: 6.747 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 :: 118.186(D) Ave N Shift Values>> N :: 120.79(4.69) 1.R72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 W 0.15 K 0.12 Q 0.1 E 0.1 H 0.08 R 0.05 L 0.04 P 0.02 V 0.01 C Shift Assignments>> C :: 179.322 CA :: 59.686(D) CB :: 27.937 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 :: 8.165(D) HA :: 3.345 HB2 :: 1.781 HB3 :: 1.781 HG2 :: 1.466 HG3 :: 1.466 HD2 :: 3.163 HD3 :: 2.976 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.408(D) 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.A73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.3 I 0.02 C Shift Assignments>> C :: 180.987 CA :: 54.225(D) CB :: 16.212(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.106(D) HA :: 2.925 HB1 :: 1.074 HB2 :: 1.074 HB3 :: 1.074 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.026(D) Ave N Shift Values>> N :: 123.23(3.7) 1.Y74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 178.912 CA :: 61.462(D) CB :: 37.523(D) CD1 :: 133.303 CE1 :: 119.586 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 :: 8.403(D) HA :: 3.919 HB2 :: 2.995 HB3 :: 2.943 HD1 :: 6.999 HE1 :: 6.885 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 :: 120.196(D) Ave N Shift Values>> N :: 120.79(4.69) 1.K75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.53 R 0.41 M 0.02 L 0.01 C Shift Assignments>> C :: 177.804 CA :: 57.175(D) CB :: 30.233(D) CG :: 24.223 CD :: 28.482 CE :: 41.522 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 :: 8.591(D) HA :: 3.607 HB2 :: 1.381 HB3 :: 1.333 HG2 :: 1.112 HG3 :: 1.058 HD2 :: 1.444 HD3 :: 1.385 HE2 :: 2.853 HE3 :: 2.792 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.661(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.495 CA :: 60.323(D) CB :: 63.702(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.089(D) HA :: 4.013 HB2 :: 3.709 HB3 :: 3.709 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.542(D) Ave N Shift Values>> N :: 116.3(3.95) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 173.328 CA :: 44.928(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.265(D) HA2 :: 4.279 HA3 :: 3.695 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.521(D) Ave N Shift Values>> N :: 109.91(4.29) 1.D78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.3 L 0.06 F 0.04 Y 0.04 HN Overlap>> 1.V52 1.D142 1.V52 1.D142 C Shift Assignments>> CA :: 51.192(D) CB :: 39.791(D) 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 :: 7.736(D) HA :: 4.854 HB2 :: 2.637 HB3 :: 2.637 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 :: 116.612(D) Ave N Shift Values>> N :: 120.73(4.2) 1.P79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.467 CA :: 65.097(D) CB :: 30.968(D) CG :: 27.331 CD :: 49.719 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 :: 3.993 HB2 :: 1.817 HB3 :: 1.635 HG2 :: 2.064 HG3 :: 1.716 HD2 :: 3.885 HD3 :: 3.386 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.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.35 I 0.04 HN Overlap>> 1.N13 1.L65 1.N13 1.L65 C Shift Assignments>> C :: 180.295 CA :: 55.005(D) CB :: 17.584(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.168(D) HA :: 4.002 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.273(D) Ave N Shift Values>> N :: 123.23(3.7) 1.G81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.532 CA :: 46.810(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.694(D) HA2 :: 3.857 HA3 :: 3.745 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.781(D) Ave N Shift Values>> N :: 109.91(4.29) 1.Y82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 179.467 CA :: 62.086(D) CB :: 38.263(D) CD1 :: 132.876 CE1 :: 119.007 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 :: 8.605(D) HA :: 3.829 HB2 :: 3.203 HB3 :: 2.921 HD1 :: 6.653 HE1 :: 6.447 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.586(D) Ave N Shift Values>> N :: 120.79(4.69) 1.V83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.L125 1.L125 C Shift Assignments>> C :: 177.434 CA :: 64.823(D) CB :: 30.864(D) CG1 :: 21.179 CG2 :: 22.314 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 :: 8.099(D) HA :: 3.730 HB :: 2.152 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 121.152(D) Ave N Shift Values>> N :: 121.02(4.96) 1.K84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.61 R 0.35 M 0.01 C Shift Assignments>> C :: 178.465 CA :: 59.375(D) CB :: 31.444(D) CG :: 25.776 CD :: 29.199 CE :: 41.752 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 :: 7.231(D) HA :: 3.799 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 1.647 HG3 :: 1.427 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.923 HE3 :: 2.923 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.366(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.64 R 0.28 M 0.05 C Shift Assignments>> C :: 177.599 CA :: 57.151(D) CB :: 32.342(D) CG :: 24.927 CD :: 29.214 CE :: 41.753 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 :: 7.323(D) HA :: 4.315 HB2 :: 1.841 HB3 :: 1.805 HG2 :: 1.486 HG3 :: 1.455 HD2 :: 1.594 HD3 :: 1.594 HE2 :: 2.882 HE3 :: 2.882 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.808(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 S 0.03 C Shift Assignments>> C :: 175.212 CA :: 60.374(D) CB :: 67.994(D) CG2 :: 20.517 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 :: 7.520(D) HA :: 4.308 HB :: 4.545 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 :: 110.103(D) Ave N Shift Values>> N :: 115.7(5.05) 1.L87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.68 R 0.25 K 0.04 G 0.01 C Shift Assignments>> C :: 177.919 CA :: 57.806(D) CB :: 41.599(D) CG :: 26.377 CD1 :: 27.300 CD2 :: 25.341 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 :: 7.186(D) HA :: 3.927 HB2 :: 1.791 HB3 :: 1.414 HG :: 1.959 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 122.360(D) Ave N Shift Values>> N :: 121.98(4.07) 1.Y88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.94 H 0.05 C Shift Assignments>> C :: 175.882 CA :: 58.755(D) CB :: 36.343(D) CD1 :: 133.382 CD2 :: 133.382 CE1 :: 118.549 CE2 :: 118.549 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.223(D) HA :: 4.116 HB2 :: 3.137 HB3 :: 2.891 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 6.751 HE2 :: 6.751 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 :: 110.812(D) Ave N Shift Values>> N :: 120.79(4.69) 1.E89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.51 I 0.41 M 0.03 K 0.02 HN Overlap>> 1.V115 1.V115 C Shift Assignments>> C :: 177.047 CA :: 57.942(D) CB :: 29.997(D) CG :: 38.220 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 :: 7.838(D) HA :: 4.020 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 1.996 HG3 :: 1.996 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 :: 120.109(D) Ave N Shift Values>> N :: 120.68(3.68) 1.I90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 64.666(D) CB :: 33.777(D) CG1 :: 28.893 CG2 :: 17.263 CD1 :: 11.693 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 :: 7.274(D) HA :: 3.466 HB :: 2.082 HG12 :: 1.490 HG13 :: 1.173 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 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 :: 117.284(D) Ave N Shift Values>> N :: 121.6(4.72) 1.P91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.26 S 0.24 T 0.18 P 0.15 I 0.13 C Shift Assignments>> C :: 175.514 CA :: 65.418(D) 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 :: 3.981 HB2 :: 1.986 HB3 :: 1.909 HG2 :: 1.684 HG3 :: 1.558 HD2 :: 3.762 HD3 :: 3.600 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.A92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.31 L 0.01 C Shift Assignments>> CA :: 53.641(D) CB :: 19.616 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.050(D) HA :: 4.009 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 :: 112.531(D) Ave N Shift Values>> N :: 123.23(3.7) 1.L93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.8 A 0.19 C Shift Assignments>> C :: 175.819 CA :: 53.571(D) CG :: 25.352 CD1 :: 24.492 CD2 :: 22.548 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 :: 7.548(D) HA :: 3.989 HB2 :: 1.545 HB3 :: 1.545 HG :: 1.472 HD11 :: -0.215(S) HD12 :: -0.215(S) HD13 :: -0.215(S) HD21 :: 0.343 HD22 :: 0.343 HD23 :: 0.343 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.448(D) Ave N Shift Values>> N :: 121.98(4.07) 1.V94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 59.645 CB :: 32.170(D) CG1 :: 20.951 CG2 :: 22.110 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 :: 7.055(D) HA :: 4.122 HB :: 2.154 HG11 :: 0.849 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.556(D) Ave N Shift Values>> N :: 121.02(4.96) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.022 CG :: 27.726 CD :: 50.296 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 :: 4.534 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 4.392 HD3 :: 3.518 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.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.32 I 0.04 C Shift Assignments>> C :: 180.405 CA :: 54.959(D) CB :: 17.247 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.888(D) HA :: 3.836 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.456(D) Ave N Shift Values>> N :: 123.23(3.7) 1.G97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.901 CA :: 45.065(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.540(D) HA2 :: 2.824 HA3 :: 2.505(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.054(D) Ave N Shift Values>> N :: 109.91(4.29) 1.L98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.46 K 0.45 R 0.03 I 0.03 C Shift Assignments>> C :: 177.920(D) CA :: 56.930(D) CB :: 41.395(D) CD1 :: 23.661 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 :: 7.071(D) HA :: 4.062 HB2 :: 1.912 HB3 :: 1.324 HG :: 1.554 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.446(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.66 I 0.19 K 0.1 A 0.02 M 0.01 C Shift Assignments>> C :: 178.209 CA :: 57.653 CB :: 39.520(D) CD2 :: 22.816 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 :: 6.837(D) HA :: 3.891 HB2 :: 1.907 HB3 :: 1.518 HG :: 1.647 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 116.742(D) Ave N Shift Values>> N :: 121.98(4.07) 1.A100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.38 I 0.03 C Shift Assignments>> C :: 180.462 CA :: 54.773(D) CB :: 17.516(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.574(D) HA :: 4.077 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.338(D) Ave N Shift Values>> N :: 123.23(3.7) 1.L101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.4 L 0.28 R 0.11 I 0.06 M 0.03 Q 0.03 V 0.01 H 0.01 W 0.01 C Shift Assignments>> C :: 178.955 CA :: 57.512(D) CD2 :: 24.633 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.603(D) HA :: 4.130 HB2 :: 1.881 HB3 :: 1.707 HG :: 1.771 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 119.161(D) Ave N Shift Values>> N :: 121.98(4.07) 1.I102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.Y50 1.Y50 C Shift Assignments>> C :: 177.604 CA :: 64.958(D) CB :: 37.847 CG2 :: 17.812 CD1 :: 13.261 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 :: 7.793(D) HA :: 3.688 HB :: 1.911 HG12 :: 1.558 HG13 :: 1.281 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.433(D) Ave N Shift Values>> N :: 121.6(4.72) 1.E103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 E 0.36 K 0.04 M 0.01 C Shift Assignments>> C :: 178.449 CA :: 60.387(D) CB :: 29.199(D) CG :: 36.953 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 :: 8.625(D) HA :: 3.697 HB2 :: 2.269 HB3 :: 2.097 HG2 :: 2.266 HG3 :: 2.266 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.763(D) Ave N Shift Values>> N :: 120.68(3.68) 1.G104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.772 CA :: 46.781 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.116(D) HA2 :: 3.978 HA3 :: 3.978 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.583(D) Ave N Shift Values>> N :: 109.91(4.29) 1.H105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.56 H 0.43 C Shift Assignments>> C :: 177.993 CA :: 59.177(D) CB :: 31.136 CD2 :: 119.317 CE1 :: 139.664 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(D) HA :: 4.436 HB2 :: 3.225 HB3 :: 3.101 HD2 :: 7.157 HE1 :: 7.701 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.627(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.68 K 0.26 M 0.01 A 0.01 HN Overlap>> 1.Y71 1.Y71 C Shift Assignments>> C :: 179.199 CA :: 57.251 CD1 :: 26.630 CD2 :: 23.032 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 :: 8.327(D) HA :: 3.897 HB2 :: 2.074 HB3 :: 1.917 HG :: 1.376 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.265(D) Ave N Shift Values>> N :: 121.98(4.07) 1.A107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.35 I 0.03 C Shift Assignments>> C :: 181.636 CA :: 54.803(D) CB :: 17.260(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.562(D) HA :: 3.666 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.346(D) Ave N Shift Values>> N :: 123.23(3.7) 1.G108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 175.342 CA :: 46.227(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.881(D) HA2 :: 4.021 HA3 :: 3.893 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.483(D) Ave N Shift Values>> N :: 109.91(4.29) 1.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.8 A 0.15 K 0.02 C Shift Assignments>> C :: 177.360 CA :: 54.476(D) CD1 :: 25.592 CD2 :: 22.399 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 :: 7.149(D) HA :: 4.314 HB2 :: 1.680 HB3 :: 1.680 HG :: 1.552 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 119.171(D) Ave N Shift Values>> N :: 121.98(4.07) 1.G110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 175.588 CA :: 45.177(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.737(D) HA2 :: 4.018 HA3 :: 3.440 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.626(D) Ave N Shift Values>> N :: 109.91(4.29) 1.L111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 HN Overlap>> 1.V35 1.V35 C Shift Assignments>> C :: 178.041 CG :: 26.036 CD1 :: 26.463 CD2 :: 22.777 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 :: 7.548(D) HA :: 4.685 HB2 :: 1.688 HB3 :: 1.688 HG :: 1.514 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 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 :: 122.567(D) Ave N Shift Values>> N :: 121.98(4.07) 1.F112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.99 C Shift Assignments>> CA :: 61.194(D) CB :: 37.959(D) CD1 :: 131.921 CD2 :: 131.921 CE1 :: 132.306 CE2 :: 132.306 CZ :: 131.005 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.570(D) HA :: 4.110 HB2 :: 3.262 HB3 :: 3.053 HD1 :: 7.247 HD2 :: 7.247 HE1 :: 7.465 HE2 :: 7.465 HZ :: 7.406 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.946(D) Ave N Shift Values>> N :: 120.69(4.18) 1.R113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.13 F 0.12 Y 0.11 W 0.1 I 0.08 E 0.07 T 0.06 V 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 178.521 CA :: 59.404(D) 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>> HA :: 4.112 HG2 :: 1.579 HG3 :: 1.579 HD2 :: 3.203 HD3 :: 3.203 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) 1.L114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.89 K 0.08 A 0.01 C Shift Assignments>> C :: 178.906 CA :: 56.677 CD1 :: 25.524 CD2 :: 23.523 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 :: 7.312(D) HA :: 4.184 HB2 :: 1.979 HB3 :: 1.569 HG :: 1.749 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.674(D) Ave N Shift Values>> N :: 121.98(4.07) 1.V115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.E89 1.E89 C Shift Assignments>> C :: 177.650 CA :: 67.068 CB :: 31.236 CG1 :: 21.293 CG2 :: 23.629 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 :: 7.807(D) HA :: 3.479 HB :: 2.311 HG11 :: 0.995 HG12 :: 0.995 HG13 :: 0.995 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 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 :: 120.141(D) Ave N Shift Values>> N :: 121.02(4.96) 1.R116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.72 G 0.15 K 0.07 L 0.04 C Shift Assignments>> C :: 178.466 CA :: 59.521(D) CB :: 29.103(D) CG :: 27.681 CD :: 43.308 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 :: 7.672(D) HA :: 3.935 HB2 :: 1.992 HB3 :: 1.872 HG2 :: 1.842 HG3 :: 1.631 HD2 :: 3.197 HD3 :: 3.197 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 :: 118.048(D) 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.L117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.95 R 0.03 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> C :: 178.300(D) CA :: 57.825(D) CB :: 40.713(D) CG :: 27.244 CD1 :: 24.296 CD2 :: 24.869 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 :: 7.452(D) HA :: 4.171 HB2 :: 1.970 HB3 :: 1.788 HG :: 1.760 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.674(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 R 0.1 K 0.01 A 0.01 C Shift Assignments>> CA :: 57.222(D) CB :: 40.708 CG :: 28.116 CD1 :: 25.454 CD2 :: 23.289 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 :: 8.073(D) HA :: 3.985 HB2 :: 2.042 HB3 :: 1.798 HG :: 1.832 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.916(D) Ave N Shift Values>> N :: 121.98(4.07) 1.R119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 I 0.07 E 0.07 R 0.06 T 0.05 V 0.05 K 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 179.065 CA :: 59.349(D) 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 :: 8.283(D) HA :: 3.858 HB2 :: 1.965 HB3 :: 1.965 HG2 :: 2.021 HG3 :: 2.021 HD2 :: 3.350 HD3 :: 3.184 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.331(D) 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.F120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.57 Y 0.42 C Shift Assignments>> C :: 177.458 CA :: 60.398(D) CB :: 38.583 CD1 :: 132.046 CD2 :: 132.046 CE1 :: 131.166 CE2 :: 131.166 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 :: 8.000(D) HA :: 4.370 HB2 :: 3.312 HB3 :: 3.312 HD1 :: 7.148 HD2 :: 7.148 HE1 :: 7.092 HE2 :: 7.092 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.695(D) Ave N Shift Values>> N :: 120.69(4.18) 1.L121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.69 K 0.29 R 0.01 C Shift Assignments>> C :: 178.615 CA :: 57.538 CB :: 41.394 CD1 :: 24.349 CD2 :: 25.869 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 :: 8.315(D) HA :: 3.861 HB2 :: 2.027 HB3 :: 1.639 HG :: 1.624 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.651(D) Ave N Shift Values>> N :: 121.98(4.07) 1.R122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.12 S 0.12 I 0.11 Y 0.1 W 0.09 T 0.08 V 0.08 E 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 178.174 CA :: 59.820(D) 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 :: 8.076(D) HA :: 3.888 HB2 :: 1.877 HB3 :: 1.877 HD2 :: 3.204 HD3 :: 3.204 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 :: 118.448(D) 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.I123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 64.286(D) CB :: 36.818 CG1 :: 28.967 CG2 :: 17.009 CD1 :: 12.685 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 :: 7.681(D) HA :: 3.587 HB :: 1.980 HG12 :: 1.677 HG13 :: 1.064 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.362(D) Ave N Shift Values>> N :: 121.6(4.72) 1.L124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 L 0.45 R 0.03 M 0.02 V 0.01 HN Overlap>> 1.L117 1.L117 C Shift Assignments>> C :: 178.465 CA :: 57.661 CG :: 27.992 CD2 :: 23.349 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 :: 7.484(D) HA :: 3.893 HG :: 1.835 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.609(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 R 0.2 K 0.14 W 0.07 L 0.06 Q 0.06 H 0.04 P 0.03 E 0.03 HN Overlap>> 1.V83 1.V83 C Shift Assignments>> CA :: 59.682 CD1 :: 26.137 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 :: 8.066(D) HA :: 3.842 HB2 :: 1.916 HB3 :: 1.916 HG :: 1.811 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 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 :: 121.058(D) Ave N Shift Values>> N :: 121.98(4.07) 1.I126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CB :: 37.860 CG1 :: 28.927 CG2 :: 17.183 CD1 :: 13.766 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 :: 8.049(D) HA :: 3.591 HB :: 1.976 HG12 :: 1.808 HG13 :: 1.036 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.402(D) Ave N Shift Values>> N :: 121.6(4.72) 1.I127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 64.934(D) CB :: 37.652 CG1 :: 29.668 CG2 :: 17.215 CD1 :: 13.241 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 :: 8.085(D) HA :: 3.635 HB :: 1.865 HG12 :: 1.866 HG13 :: 1.028 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.538(D) Ave N Shift Values>> N :: 121.6(4.72) 1.S128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.056 CA :: 62.106 CB :: 62.858(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558(D) HA :: 3.866 HB2 :: 4.167 HB3 :: 4.167 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 :: 115.960(D) Ave N Shift Values>> N :: 116.3(3.95) 1.R129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.51 K 0.19 I 0.14 G 0.12 L 0.01 C Shift Assignments>> C :: 178.929 CA :: 60.531 CB :: 29.681 CD :: 43.073 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 :: 8.682(D) HA :: 4.055 HB2 :: 1.993 HB3 :: 1.894 HG2 :: 1.714 HG3 :: 1.714 HD2 :: 3.146 HD3 :: 3.146 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 :: 120.571(D) 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.G130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.841 CA :: 47.114(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.666(D) HA2 :: 3.633 HA3 :: 3.745 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.484(D) Ave N Shift Values>> N :: 109.91(4.29) 1.S131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.581 CA :: 61.905(D) CB :: 62.251 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.492(D) HA :: 4.028 HB2 :: 4.191 HB3 :: 4.191 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 :: 117.624(D) Ave N Shift Values>> N :: 116.3(3.95) 1.K132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.59 L 0.32 R 0.07 C Shift Assignments>> C :: 178.785 CA :: 58.558 CG :: 24.167 CD :: 28.340 CE :: 41.692 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 :: 8.034(D) HA :: 4.023 HB2 :: 1.988 HB3 :: 1.988 HG2 :: 1.552 HG3 :: 1.468 HD2 :: 1.763 HD3 :: 1.667 HE2 :: 2.860 HE3 :: 2.860 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 :: 122.378(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.99 C Shift Assignments>> C :: 175.809 CA :: 60.457(D) CD1 :: 132.812 CD2 :: 132.812 CE1 :: 131.366 CE2 :: 131.366 CZ :: 129.419 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.940(D) HA :: 4.344 HB2 :: 3.303 HB3 :: 3.149 HD1 :: 7.316 HD2 :: 7.316 HE1 :: 7.104 HE2 :: 7.104 HZ :: 7.042 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.228(D) Ave N Shift Values>> N :: 120.69(4.18) 1.L134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.87 K 0.1 A 0.01 C Shift Assignments>> C :: 178.939 CA :: 57.322 CB :: 41.392 CD1 :: 25.472 CD2 :: 23.111 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 :: 7.903(D) HA :: 3.637 HB2 :: 1.900 HB3 :: 1.467 HG :: 1.631 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.378(D) Ave N Shift Values>> N :: 121.98(4.07) 1.S135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.288 CA :: 61.203(D) CB :: 62.512(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.263(D) HA :: 4.104 HB2 :: 3.989 HB3 :: 3.950 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 :: 114.150(D) Ave N Shift Values>> N :: 116.3(3.95) 1.A136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 180.348 CA :: 54.468(D) CB :: 17.927 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.956(D) HA :: 4.231 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.280(D) Ave N Shift Values>> N :: 123.23(3.7) 1.I137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.045 CA :: 62.570(D) CB :: 39.769(D) CG1 :: 28.351 CG2 :: 17.863 CD1 :: 12.999 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 :: 7.860(D) HA :: 3.936 HB :: 1.700 HG12 :: 1.285 HG13 :: 1.079 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.964(D) Ave N Shift Values>> N :: 121.6(4.72) 1.A138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.09 H 0.08 A 0.08 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 179.802 CA :: 54.650(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.693(D) HA :: 3.997 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 :: 123.933(D) Ave N Shift Values>> N :: 123.23(3.7) 1.D139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.2 D 0.18 Y 0.18 L 0.17 K 0.14 N 0.04 I 0.02 R 0.02 C Shift Assignments>> C :: 178.059 CA :: 56.403(D) CB :: 40.659(D) 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 :: 7.867(D) HA :: 4.458 HB2 :: 2.777 HB3 :: 2.707 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 :: 118.233(D) Ave N Shift Values>> N :: 120.73(4.2) 1.A140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 179.302 CA :: 54.028(D) CB :: 18.191 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.903(D) HA :: 4.079 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.325(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.4 I 0.03 HN Overlap>> 1.V57 1.V57 C Shift Assignments>> C :: 179.008 CA :: 54.639(D) CB :: 17.521(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.247(D) HA :: 3.944 HB1 :: 1.456 HB2 :: 1.456 HB3 :: 1.456 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.704(D) Ave N Shift Values>> N :: 123.23(3.7) 1.D142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.2 D 0.19 K 0.18 F 0.16 Y 0.14 R 0.04 N 0.04 I 0.01 HN Overlap>> 1.D78 1.V52 1.D78 1.V52 C Shift Assignments>> C :: 177.615 CA :: 56.110(D) CB :: 41.038(D) 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 :: 7.779(D) HA :: 4.439 HB2 :: 2.789 HB3 :: 2.745 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 :: 116.554(D) Ave N Shift Values>> N :: 120.73(4.2) 1.K143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.58 R 0.36 M 0.03 G 0.01 C Shift Assignments>> C :: 177.528 CA :: 56.765(D) CB :: 32.210(D) CG :: 25.357 CD :: 28.739 CE :: 41.941 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 :: 7.555(D) HA :: 4.231 HB2 :: 1.901 HB3 :: 1.842 HG2 :: 1.589 HG3 :: 1.509 HD2 :: 1.654 HD3 :: 1.606 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.472(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.8 R 0.12 G 0.03 A 0.02 C Shift Assignments>> C :: 176.725(D) CA :: 55.331(D) CB :: 42.389(D) CG :: 26.870 CD1 :: 25.546 CD2 :: 23.289 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 :: 7.738(D) HA :: 4.303 HB2 :: 1.760 HB3 :: 1.578 HG :: 1.753 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.854(D) Ave N Shift Values>> N :: 121.98(4.07) 1.V145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 59.661(D) CB :: 31.699(D) CG1 :: 21.171 CG2 :: 20.912 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 :: 7.569(D) HA :: 4.327 HB :: 2.141 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.646(D) Ave N Shift Values>> N :: 121.02(4.96) 1.P146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.048 CA :: 63.069(D) CB :: 30.992(D) CG :: 27.376 CD :: 50.816 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 :: 4.426 HB2 :: 2.256 HB3 :: 1.944 HG2 :: 2.060 HG3 :: 1.947 HD2 :: 3.849 HD3 :: 3.638 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.R147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.64 K 0.26 G 0.09 C Shift Assignments>> CA :: 56.912(D) CB :: 31.723 CG :: 27.127 CD :: 43.257 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 :: 7.832(D) HA :: 4.183 HB2 :: 1.856 HB3 :: 1.695 HG2 :: 1.653 HG3 :: 1.653 HD2 :: 3.177 HD3 :: 3.177 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 :: 127.098(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 9 #Clerical: 136 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 0 C Shift Results: #Consistent: 403 #Duplicate: 172 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 929 #Duplicate: 137 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 2 #Duplicate: 135 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G3 CA = 44.937(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.8196e-01 1.D6 CA = 54.380(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.4685e-01 1.D6 CB = 40.673(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.8710e-01 1.L7 C = 178.032(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.1136e-01 1.L7 CA = 55.649(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.9964e-01 1.L7 CB = 41.040(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.7458e-01 1.L7 H = 7.983(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.1540e-01 1.L7 N = 121.525(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.1099e-01 1.G8 CA = 45.573(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.6412e-01 1.G8 H = 8.241(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.9357e-01 1.G8 N = 107.867(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.3391e-01 1.G9 CA = 45.298(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.8202e-01 1.G9 H = 8.086(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.3142e-01 1.G9 N = 108.442(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.3221e-01 1.R10 CA = 56.092(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.2183e-01 1.R10 CB = 29.995(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.0714e-01 1.R10 H = 7.965(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.4671e-01 1.R10 N = 120.077(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.9129e-01 1.V11 CA = 62.222(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.3237e-01 1.V11 CB = 31.634(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.9115e-01 1.V11 H = 7.911(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.9348e-01 1.V11 N = 119.482(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.5650e-01 1.R12 CA = 56.275(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.7941e-01 1.R12 CB = 30.226(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.0630e-01 1.R12 H = 8.405(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.8332e-01 1.R12 N = 123.794(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.1427e-01 1.N13 CA = 52.742(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.2286e-01 1.N13 CB = 39.126(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.9348e-01 1.N13 H = 8.199(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.9249e-01 1.N13 HD21 = 6.802(D), Expected = 7.27, Std = 0.5200, ChiSquare = 3.6812e-01 1.N13 HD22 = 7.597(D), Expected = 7.20, Std = 0.5200, ChiSquare = 4.4519e-01 1.N13 N = 118.195(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.3247e-01 1.N13 ND2 = 113.453(D), Expected = 112.83, Std = 2.6000, ChiSquare = 8.1063e-01 1.I14 CA = 62.289(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.0147e-01 1.I14 CB = 39.060(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.1835e-01 1.I14 H = 8.341(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.0917e-01 1.I14 N = 120.723(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.5260e-01 1.G15 CA = 46.252(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.1615e-01 1.G15 H = 8.463(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.6799e-01 1.G15 N = 110.784(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.3856e-01 1.D16 CA = 55.494(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.4278e-01 1.D16 CB = 40.630(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.6657e-01 1.D16 H = 7.791(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.4435e-01 1.D16 N = 119.798(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.2439e-01 1.V17 CA = 63.803(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.6342e-01 1.V17 CB = 31.629(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.8934e-01 1.V17 H = 7.521(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.7876e-01 1.V17 N = 117.871(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.2551e-01 1.M18 CA = 54.822(D), Expected = 56.16, Std = 2.3400, ChiSquare = 5.6746e-01 1.M18 H = 7.799(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.4229e-01 1.M18 N = 115.784(D), Expected = 120.10, Std = 3.8800, ChiSquare = 2.6598e-01 1.E19 CA = 55.214(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.1379e-01 1.E19 H = 7.678(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.7781e-01 1.E19 N = 116.127(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.1600e-01 1.H20 H = 7.799(D), Expected = 8.25, Std = 0.7400, ChiSquare = 5.4222e-01 1.H20 N = 123.218(D), Expected = 119.44, Std = 4.5200, ChiSquare = 4.0324e-01 1.V23 CA = 66.238(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.1639e-01 1.V23 H = 7.686(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.9493e-01 1.V23 N = 120.396(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.9989e-01 1.E24 CA = 59.488(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.4502e-01 1.E24 H = 8.221(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.4533e-01 1.E24 N = 119.291(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.0584e-01 1.L25 H = 8.078(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.2707e-01 1.L25 N = 120.200(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.6186e-01 1.G26 CA = 47.501(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.2630e-01 1.G26 H = 8.299(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.5582e-01 1.G26 N = 108.552(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.5158e-01 1.V27 H = 8.773(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.9633e-01 1.V27 N = 122.413(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.7883e-01 1.S28 CA = 62.847(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.3648e-02 1.S28 H = 7.979(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.1594e-01 1.S28 N = 117.074(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.4465e-01 1.Y29 CA = 60.159(D), Expected = 58.02, Std = 2.6400, ChiSquare = 4.1781e-01 1.Y29 CB = 37.356(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.1853e-01 1.Y29 H = 8.409(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.5853e-01 1.Y29 N = 122.022(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.9279e-01 1.A30 H = 8.654(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4925e-01 1.A30 N = 122.169(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.7430e-01 1.A31 CA = 54.646(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.7069e-01 1.A31 H = 8.808(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1090e-01 1.A31 N = 120.414(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.4661e-01 1.L32 C = 179.080(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.1270e-01 1.L32 H = 8.251(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.6196e-01 1.L32 N = 121.083(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.2556e-01 1.L33 H = 8.677(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.8201e-01 1.L33 N = 119.096(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.7857e-01 1.V35 H = 7.537(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.8889e-01 1.V35 N = 122.668(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.3969e-01 1.I36 H = 7.521(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.9795e-01 1.I36 N = 119.341(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.3222e-01 1.V37 CA = 66.987(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3819e-01 1.V37 H = 8.362(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.1923e-01 1.V37 N = 116.305(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.4181e-01 1.V39 CB = 31.002(D), Expected = 32.66, Std = 1.9100, ChiSquare = 3.8536e-01 1.V39 H = 7.832(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.1888e-01 1.V39 N = 121.119(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.8408e-01 1.V40 CA = 66.675(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.6761e-01 1.V40 CB = 30.408(D), Expected = 32.66, Std = 1.9100, ChiSquare = 2.3838e-01 1.V40 H = 8.550(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.1422e-01 1.V40 N = 121.874(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.6330e-01 1.E41 CA = 59.088(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.4627e-01 1.E41 H = 8.134(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.3559e-01 1.E41 N = 120.039(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.6172e-01 1.Y42 CA = 60.030(D), Expected = 58.02, Std = 2.6400, ChiSquare = 4.4644e-01 1.Y42 H = 7.772(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.2526e-01 1.Y42 N = 114.765(D), Expected = 120.79, Std = 4.6900, ChiSquare = 1.9892e-01 1.T43 CA = 63.191(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.0193e-01 1.T43 H = 7.846(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.9406e-01 1.T43 N = 106.985(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.4394e-02 1.M44 CA = 55.334(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.2409e-01 1.M44 CB = 32.875(D), Expected = 32.90, Std = 2.2300, ChiSquare = 9.9106e-01 1.M44 H = 7.968(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.2649e-01 1.M44 N = 119.555(D), Expected = 120.10, Std = 3.8800, ChiSquare = 8.8829e-01 1.Q45 CA = 55.297(D), Expected = 56.62, Std = 2.1900, ChiSquare = 5.4577e-01 1.Q45 CG = 33.376(D), Expected = 33.72, Std = 1.1000, ChiSquare = 7.5449e-01 1.Q45 H = 8.267(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.3957e-01 1.Q45 HE21 = 6.666(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.7323e-01 1.Q45 HE22 = 7.386(D), Expected = 7.07, Std = 0.4900, ChiSquare = 5.1899e-01 1.Q45 N = 120.335(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.1757e-01 1.Q45 NE2 = 112.253(D), Expected = 111.81, Std = 2.2000, ChiSquare = 8.4041e-01 1.L46 CA = 53.989(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.5230e-01 1.L46 H = 8.111(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.6683e-01 1.L46 N = 122.962(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.0934e-01 1.S47 CA = 56.868(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.2207e-01 1.S47 CB = 64.649(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.8867e-01 1.S47 H = 8.171(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.4779e-01 1.S47 N = 114.752(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.9513e-01 1.G48 CA = 47.221(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.8296e-01 1.G48 H = 8.870(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.7386e-01 1.G48 N = 109.495(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.2294e-01 1.E49 CA = 59.008(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.6838e-01 1.E49 H = 8.898(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.6032e-01 1.E49 N = 121.960(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.2797e-01 1.Y50 CA = 60.347(D), Expected = 58.02, Std = 2.6400, ChiSquare = 3.7808e-01 1.Y50 CB = 37.310(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.0677e-01 1.Y50 H = 7.741(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.0166e-01 1.Y50 N = 118.511(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.2702e-01 1.L51 CA = 57.137(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.0104e-01 1.L51 H = 7.763(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.8201e-01 1.L51 N = 121.528(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.1157e-01 1.V52 CA = 67.079(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3032e-01 1.V52 CB = 30.540(D), Expected = 32.66, Std = 1.9100, ChiSquare = 2.6702e-01 1.V52 H = 7.771(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.6479e-01 1.V52 N = 116.624(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.7546e-01 1.R53 CA = 60.013(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.0374e-01 1.R53 CB = 29.366(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.6473e-01 1.R53 H = 7.461(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.9417e-01 1.R53 N = 116.740(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.2105e-01 1.L54 CA = 58.516(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.9469e-01 1.L54 H = 7.957(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.8576e-01 1.L54 N = 120.427(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.0278e-01 1.Y55 CA = 58.283(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.2065e-01 1.Y55 H = 8.311(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.3730e-01 1.Y55 N = 116.695(D), Expected = 120.79, Std = 4.6900, ChiSquare = 3.8259e-01 1.L56 CA = 57.783(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3447e-01 1.L56 CB = 40.736(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.7968e-01 1.L56 H = 8.433(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.4314e-01 1.L56 N = 123.646(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.8229e-01 1.V57 CA = 66.940(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.4235e-01 1.V57 CB = 30.164(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.9128e-01 1.V57 H = 8.175(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.7133e-01 1.V57 N = 119.714(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.9231e-01 1.D58 CA = 58.065(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.1393e-02 1.D58 CB = 42.653(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.4222e-01 1.D58 H = 8.444(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.4148e-01 1.D58 N = 118.064(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.2558e-01 1.L59 CA = 57.861(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.1709e-01 1.L59 CB = 41.001(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.6172e-01 1.L59 H = 7.724(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.4542e-01 1.L59 N = 117.345(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.5478e-01 1.I60 H = 7.740(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.6393e-01 1.I60 N = 117.213(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.5266e-01 1.L61 H = 8.013(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.5013e-01 1.L61 N = 117.362(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.5652e-01 1.V62 H = 8.747(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.1979e-01 1.V62 N = 116.751(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.8941e-01 1.I63 H = 8.084(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.0422e-01 1.I63 N = 121.694(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.8411e-01 1.I64 H = 7.564(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.2695e-01 1.I64 N = 119.428(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.4539e-01 1.L65 H = 8.082(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.3187e-01 1.L65 N = 118.286(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.6408e-01 1.W66 H = 9.662(D), Expected = 8.35, Std = 0.8400, ChiSquare = 1.1831e-01 1.W66 HE1 = 10.236(D), Expected = 10.13, Std = 0.5300, ChiSquare = 8.4148e-01 1.W66 N = 124.059(D), Expected = 121.87, Std = 4.5800, ChiSquare = 6.3269e-01 1.W66 NE1 = 127.938(D), Expected = 129.48, Std = 2.5600, ChiSquare = 5.4695e-01 1.A67 CA = 55.346(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.8861e-01 1.A67 CB = 16.792(D), Expected = 18.90, Std = 1.8500, ChiSquare = 2.5451e-01 1.A67 H = 8.297(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7157e-01 1.A67 N = 121.805(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.0014e-01 1.D68 CA = 57.377(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.7368e-01 1.D68 CB = 43.238(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.2857e-01 1.D68 H = 7.771(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.2674e-01 1.D68 N = 116.246(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.8569e-01 1.Y69 CA = 61.900(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.4164e-01 1.Y69 H = 8.262(D), Expected = 8.37, Std = 0.7500, ChiSquare = 8.8550e-01 1.Y69 N = 120.892(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.8265e-01 1.A70 CA = 54.503(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.1444e-01 1.A70 CB = 17.434(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.2811e-01 1.A70 H = 9.115(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2726e-01 1.A70 N = 118.861(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.3768e-01 1.Y71 CA = 61.717(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.6140e-01 1.Y71 H = 8.360(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.8936e-01 1.Y71 N = 118.186(D), Expected = 120.79, Std = 4.6900, ChiSquare = 5.7874e-01 1.R72 CA = 59.686(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.5626e-01 1.R72 H = 8.165(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.0052e-01 1.R72 N = 119.408(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.5793e-01 1.A73 CA = 54.225(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.0516e-01 1.A73 CB = 16.212(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.4623e-01 1.A73 H = 8.106(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7551e-01 1.A73 N = 122.026(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.4487e-01 1.Y74 CA = 61.462(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.9231e-01 1.Y74 CB = 37.523(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.6290e-01 1.Y74 H = 8.403(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.6490e-01 1.Y74 N = 120.196(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.9922e-01 1.K75 CA = 57.175(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.8164e-01 1.K75 CB = 30.233(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.6716e-01 1.K75 H = 8.591(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.6213e-01 1.K75 N = 121.661(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.0298e-01 1.S76 CA = 60.323(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.0830e-01 1.S76 CB = 63.702(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.5023e-01 1.S76 H = 7.089(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.2734e-02 1.S76 N = 113.542(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.8503e-01 1.G77 CA = 44.928(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.7710e-01 1.G77 H = 7.265(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.4631e-01 1.G77 N = 109.521(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.2775e-01 1.D78 CA = 51.192(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.1302e-01 1.D78 CB = 39.791(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8623e-01 1.D78 H = 7.736(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.9736e-01 1.D78 N = 116.612(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.2685e-01 1.P79 CA = 65.097(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.7320e-01 1.P79 CB = 30.968(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.8455e-01 1.A80 CA = 55.005(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7045e-01 1.A80 CB = 17.584(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.7687e-01 1.A80 H = 8.168(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5747e-01 1.A80 N = 118.273(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.8033e-01 1.G81 CA = 46.810(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.9729e-01 1.G81 H = 7.694(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.8268e-01 1.G81 N = 106.781(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.6578e-01 1.Y82 CA = 62.086(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.2352e-01 1.Y82 CB = 38.263(D), Expected = 39.16, Std = 2.2300, ChiSquare = 6.8751e-01 1.Y82 H = 8.605(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.5403e-01 1.Y82 N = 124.586(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.1830e-01 1.V83 CA = 64.823(D), Expected = 62.48, Std = 3.0400, ChiSquare = 4.4087e-01 1.V83 CB = 30.864(D), Expected = 32.66, Std = 1.9100, ChiSquare = 3.4706e-01 1.V83 H = 8.099(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.8792e-01 1.V83 N = 121.152(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.7877e-01 1.K84 CA = 59.375(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.5988e-01 1.K84 CB = 31.444(D), Expected = 32.83, Std = 1.8800, ChiSquare = 4.6098e-01 1.K84 H = 7.231(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.2227e-01 1.K84 N = 115.366(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.5862e-01 1.K85 CA = 57.151(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.9006e-01 1.K85 CB = 32.342(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.9519e-01 1.K85 H = 7.323(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.6105e-01 1.K85 N = 115.808(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.9285e-01 1.T86 CA = 60.374(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.1379e-01 1.T86 CB = 67.994(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.3293e-01 1.T86 H = 7.520(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.2640e-01 1.T86 N = 110.103(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.6772e-01 1.L87 CA = 57.806(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.2928e-01 1.L87 CB = 41.599(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.7850e-01 1.L87 H = 7.186(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.1166e-01 1.L87 N = 122.360(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.2561e-01 1.Y88 CA = 58.755(D), Expected = 58.02, Std = 2.6400, ChiSquare = 7.8070e-01 1.Y88 CB = 36.343(D), Expected = 39.16, Std = 2.2300, ChiSquare = 2.0651e-01 1.Y88 H = 7.223(D), Expected = 8.37, Std = 0.7500, ChiSquare = 1.2618e-01 1.Y88 N = 110.812(D), Expected = 120.79, Std = 4.6900, ChiSquare = 3.3378e-02 1.E89 CA = 57.942(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.1160e-01 1.E89 CB = 29.997(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.6835e-01 1.E89 H = 7.838(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.1054e-01 1.E89 N = 120.109(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.7669e-01 1.I90 CA = 64.666(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.6852e-01 1.I90 CB = 33.777(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.1557e-02 1.I90 H = 7.274(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.6491e-01 1.I90 N = 117.284(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.6050e-01 1.P91 CA = 65.418(D), Expected = 63.30, Std = 1.6400, ChiSquare = 1.9654e-01 1.A92 CA = 53.641(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.1538e-01 1.A92 H = 7.050(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5280e-02 1.A92 N = 112.531(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.8326e-03 1.L93 CA = 53.571(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.4685e-01 1.L93 H = 7.548(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.0121e-01 1.L93 HD11 = -0.215(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6414e-04 1.L93 HD12 = -0.215(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6414e-04 1.L93 HD13 = -0.215(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6414e-04 1.L93 N = 113.448(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.6054e-02 1.V94 CB = 32.170(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.9753e-01 1.V94 H = 7.055(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.1958e-02 1.V94 N = 119.556(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.6787e-01 1.A96 CA = 54.959(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.8250e-01 1.A96 H = 9.888(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9031e-03 1.A96 N = 132.456(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.2649e-02 1.G97 CA = 45.065(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.5196e-01 1.G97 H = 9.540(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.0488e-01 1.G97 HA3 = 2.505(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.6734e-04 1.G97 N = 105.054(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.5766e-01 1.L98 C = 177.920(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.4944e-01 1.L98 CA = 56.930(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.6246e-01 1.L98 CB = 41.395(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.0014e-01 1.L98 H = 7.071(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.7112e-02 1.L98 N = 118.446(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.8523e-01 1.L99 CB = 39.520(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.2546e-01 1.L99 H = 6.837(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.3363e-02 1.L99 N = 116.742(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.9810e-01 1.A100 CA = 54.773(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.3362e-01 1.A100 CB = 17.516(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.5440e-01 1.A100 H = 7.574(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.9679e-01 1.A100 N = 120.338(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.3444e-01 1.L101 CA = 57.512(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.9949e-01 1.L101 H = 7.603(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.4250e-01 1.L101 N = 119.161(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.8854e-01 1.I102 CA = 64.958(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.2570e-01 1.I102 H = 7.793(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.1070e-01 1.I102 N = 118.433(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.0224e-01 1.E103 CA = 60.387(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.7548e-01 1.E103 CB = 29.199(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.3595e-01 1.E103 H = 8.625(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.4035e-01 1.E103 N = 120.763(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.8201e-01 1.G104 H = 8.116(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.6212e-01 1.G104 N = 104.583(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.1434e-01 1.H105 CA = 59.177(D), Expected = 56.37, Std = 2.4000, ChiSquare = 2.4217e-01 1.H105 H = 7.899(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.3527e-01 1.H105 N = 122.627(D), Expected = 119.44, Std = 4.5200, ChiSquare = 4.8076e-01 1.L106 H = 8.327(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.6925e-01 1.L106 N = 118.265(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.6136e-01 1.A107 CA = 54.803(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.2512e-01 1.A107 CB = 17.260(D), Expected = 18.90, Std = 1.8500, ChiSquare = 3.7536e-01 1.A107 H = 8.562(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4629e-01 1.A107 N = 122.346(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.1117e-01 1.G108 CA = 46.227(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.2759e-01 1.G108 H = 7.881(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.3508e-01 1.G108 N = 107.483(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.7157e-01 1.L109 CA = 54.476(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.9527e-01 1.L109 H = 7.149(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.9416e-02 1.L109 N = 119.171(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.9009e-01 1.G110 CA = 45.177(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.1420e-01 1.G110 H = 7.737(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.1515e-01 1.G110 N = 107.626(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.9445e-01 1.L111 H = 7.548(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.0121e-01 1.L111 N = 122.567(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.8532e-01 1.F112 CA = 61.194(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.8086e-01 1.F112 CB = 37.959(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.2907e-01 1.F112 H = 7.570(D), Expected = 8.42, Std = 0.7400, ChiSquare = 2.5070e-01 1.F112 N = 119.946(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.5873e-01 1.R113 CA = 59.404(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.0856e-01 1.L114 H = 7.312(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.6244e-01 1.L114 N = 117.674(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.9006e-01 1.V115 H = 7.807(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.9633e-01 1.V115 N = 120.141(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.5934e-01 1.R116 CA = 59.521(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.8606e-01 1.R116 CB = 29.103(D), Expected = 30.66, Std = 1.7700, ChiSquare = 3.7904e-01 1.R116 H = 7.672(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.4381e-01 1.R116 N = 118.048(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.1123e-01 1.L117 C = 178.300(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.2454e-01 1.L117 CA = 57.825(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.2504e-01 1.L117 CB = 40.713(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.7300e-01 1.L117 H = 7.452(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.3739e-01 1.L117 N = 118.674(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.1663e-01 1.L118 CA = 57.222(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.7689e-01 1.L118 H = 8.073(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.2108e-01 1.L118 N = 120.916(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.9376e-01 1.R119 CA = 59.349(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.1952e-01 1.R119 H = 8.283(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.4287e-01 1.R119 N = 119.331(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.4295e-01 1.F120 CA = 60.398(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.3139e-01 1.F120 H = 8.000(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.7033e-01 1.F120 N = 119.695(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.1185e-01 1.L121 H = 8.315(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.8380e-01 1.L121 N = 118.651(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.1339e-01 1.R122 CA = 59.820(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.3370e-01 1.R122 H = 8.076(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.8460e-01 1.R122 N = 118.448(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.7933e-01 1.I123 CA = 64.286(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.3215e-01 1.I123 H = 7.681(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.1479e-01 1.I123 N = 118.362(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.9270e-01 1.L124 H = 7.484(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.5751e-01 1.L124 N = 118.609(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.0753e-01 1.L125 H = 8.066(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.1272e-01 1.L125 N = 121.058(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.2078e-01 1.I126 H = 8.049(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.6633e-01 1.I126 N = 119.402(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.4145e-01 1.I127 CA = 64.934(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.2902e-01 1.I127 H = 8.085(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.0531e-01 1.I127 N = 119.538(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.6221e-01 1.S128 CB = 62.858(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.4851e-01 1.S128 H = 8.558(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.6555e-01 1.S128 N = 115.960(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.3141e-01 1.R129 H = 8.682(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.6133e-01 1.R129 N = 120.571(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.9202e-01 1.G130 CA = 47.114(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.0899e-01 1.G130 H = 8.666(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.5955e-01 1.G130 N = 107.484(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.7173e-01 1.S131 CA = 61.905(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.1569e-01 1.S131 H = 8.492(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.4457e-01 1.S131 N = 117.624(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.3748e-01 1.K132 H = 8.034(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.7134e-01 1.K132 N = 122.378(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.6696e-01 1.F133 CA = 60.457(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.1885e-01 1.F133 H = 7.940(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.1657e-01 1.F133 N = 119.228(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.2652e-01 1.L134 H = 7.903(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.2577e-01 1.L134 N = 118.378(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.7615e-01 1.S135 CA = 61.203(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.1424e-01 1.S135 CB = 62.512(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.1200e-01 1.S135 H = 8.263(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.6526e-01 1.S135 N = 114.150(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.8623e-01 1.A136 CA = 54.468(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.2546e-01 1.A136 H = 7.956(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8425e-01 1.A136 N = 124.280(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.7658e-01 1.I137 CA = 62.570(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.2445e-01 1.I137 CB = 39.769(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.6942e-01 1.I137 H = 7.860(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.7318e-01 1.I137 N = 116.964(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.2600e-01 1.A138 CA = 54.650(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.6950e-01 1.A138 H = 7.693(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9811e-01 1.A138 N = 123.933(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.4931e-01 1.D139 CA = 56.403(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.6990e-01 1.D139 CB = 40.659(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.8041e-01 1.D139 H = 7.867(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.1663e-01 1.D139 N = 118.233(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.5216e-01 1.A140 CA = 54.028(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.7349e-01 1.A140 H = 7.903(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2060e-01 1.A140 N = 121.325(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.0665e-01 1.A141 CA = 54.639(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.7278e-01 1.A141 CB = 17.521(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.5603e-01 1.A141 H = 8.247(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3756e-01 1.A141 N = 119.704(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.4060e-01 1.D142 CA = 56.110(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.4896e-01 1.D142 CB = 41.038(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.3961e-01 1.D142 H = 7.779(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.3371e-01 1.D142 N = 116.554(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.2008e-01 1.K143 CA = 56.765(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.7341e-01 1.K143 CB = 32.210(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.4156e-01 1.K143 H = 7.555(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.9878e-01 1.K143 N = 116.472(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.5402e-01 1.L144 C = 176.725(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.0668e-01 1.L144 CA = 55.331(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.8523e-01 1.L144 CB = 42.389(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.9185e-01 1.L144 H = 7.738(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.5837e-01 1.L144 N = 118.854(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.4245e-01 1.V145 CA = 59.661(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.5377e-01 1.V145 CB = 31.699(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.1486e-01 1.V145 H = 7.569(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.0987e-01 1.V145 N = 119.646(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.8177e-01 1.P146 CA = 63.069(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.8799e-01 1.P146 CB = 30.992(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.9530e-01 1.R147 CA = 56.912(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.8742e-01 1.R147 H = 7.832(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.9650e-01 1.R147 N = 127.098(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.6194e-02