Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 169.898 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.807 HA3 :: 3.807 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.3 N 0.25 D 0.13 L 0.06 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 P 0.01 E 0.01 C Shift Assignments>> C :: 177.821 CA :: 52.572 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.586(D) HA :: 4.328 HB1 :: 1.350(D) HB2 :: 1.350(D) HB3 :: 1.350(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.757 Ave N Shift Values>> N :: 123.23(3.7) 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.787 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.497 HA :: 4.304 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.525 HG3 :: 2.525 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 :: 119.836 Ave N Shift Values>> N :: 120.1(3.88) 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.273 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.382 HA2 :: 4.449 HA3 :: 3.939 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.199 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.807 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.213 HA :: 4.399 HB2 :: 3.828 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) N Shift Assignments>> N :: 115.656 Ave N Shift Values>> N :: 116.3(3.95) 1.M6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 D 0.09 Q 0.08 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.04 A 0.03 S 0.02 C Shift Assignments>> C :: 176.121 CA :: 55.517 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.408(D) HA :: 4.472 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.506 HG3 :: 2.506 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.922(D) Ave N Shift Values>> N :: 120.1(3.88) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T23 1.T23 C Shift Assignments>> C :: 174.260 CA :: 58.673 CB :: 63.791 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.135 HA :: 4.301 HB2 :: 3.749 HB3 :: 3.749 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.025 Ave N Shift Values>> N :: 116.3(3.95) 1.H8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.56 W 0.43 C Shift Assignments>> C :: 173.847(D) CA :: 55.082(D) CB :: 28.990(D) CD2 :: 119.897 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.356(D) HA :: 4.703(D) HB2 :: 3.228(D) HB3 :: 3.076(D) HD2 :: 7.217 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.944(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 2.A23 2.A23 C Shift Assignments>> C :: 174.759 CA :: 60.708(D) CB :: 38.360(D) CG1 :: 27.408(D) CG2 :: 18.209(D) CD1 :: 13.389(D) 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 :: 8.014(D) HA :: 4.045(D) HB :: 1.703(D) HG12 :: 1.378(D) HG13 :: 1.099(D) HG21 :: 0.757(D) HG22 :: 0.757(D) HG23 :: 0.757(D) HD11 :: 0.788(D) HD12 :: 0.788(D) HD13 :: 0.788(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.704(D) Ave N Shift Values>> N :: 121.6(4.72) 1.Q10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.39 Q 0.32 K 0.17 E 0.09 R 0.02 C Shift Assignments>> C :: 174.646(D) CA :: 54.182(D) CB :: 30.825 CG :: 33.475 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 :: 8.179(D) HA :: 4.410(D) HB2 :: 1.933(D) HB3 :: 1.799(D) HG2 :: 2.196(D) HG3 :: 2.196(D) HE21 :: 7.394 HE22 :: 6.793 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.923(D) NE2 :: 112.144 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.88 A 0.11 C Shift Assignments>> CA :: 57.584 CB :: 36.911(D) CG1 :: 27.176(D) CG2 :: 17.411(D) CD1 :: 11.380(D) 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 :: 8.516(D) HA :: 4.140(D) HB :: 1.966(D) HG12 :: 1.516(D) HG13 :: 1.301(D) HG21 :: 0.892(D) HG22 :: 0.892(D) HG23 :: 0.892(D) HD11 :: 0.736(D) HD12 :: 0.736(D) HD13 :: 0.736(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.850(D) Ave N Shift Values>> N :: 121.6(4.72) 1.P12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.496 CB :: 31.197 CG :: 27.515 CD :: 50.827(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 :: 4.711 HB2 :: 2.362 HB3 :: 1.821 HG2 :: 1.982 HG3 :: 1.830 HD2 :: 3.934 HD3 :: 3.364(D) 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.P13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.283(D) CA :: 63.792(D) CB :: 31.777(D) CG :: 27.607(D) CD :: 50.921 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 :: 4.356(D) HB2 :: 2.317(D) HB3 :: 1.903(D) HG2 :: 2.118(D) HG3 :: 2.021(D) HD2 :: 3.865(D) HD3 :: 3.668(D) 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.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 175.563(D) CA :: 45.422(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.645(D) HA2 :: 4.210(D) HA3 :: 3.891(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.582(D) Ave N Shift Values>> N :: 109.91(4.29) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 K 0.33 R 0.07 G 0.03 C Shift Assignments>> C :: 177.922(D) CA :: 59.384(D) CB :: 42.102 CD1 :: 26.026(D) CD2 :: 25.782(D) 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 :: 7.466(D) HA :: 4.011(D) HB2 :: 1.877(D) HB3 :: 1.535 HG :: 1.836 HD11 :: 1.093(D) HD12 :: 1.093(D) HD13 :: 1.093(D) HD21 :: 0.948(D) HD22 :: 0.948(D) HD23 :: 0.948(D) 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 :: 122.247(D) Ave N Shift Values>> N :: 121.98(4.07) 1.T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.657(D) CA :: 66.444(D) CB :: 67.714(D) CG2 :: 21.914(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.679(D) HA :: 3.668(D) HB :: 4.123(D) HG21 :: 1.210(D) HG22 :: 1.210(D) HG23 :: 1.210(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.909(D) Ave N Shift Values>> N :: 115.7(5.05) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 E 0.36 K 0.07 Q 0.02 C Shift Assignments>> C :: 179.431(D) CA :: 60.482(D) CB :: 28.861(D) CG :: 36.425 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 :: 8.903(D) HA :: 3.951(D) HB2 :: 2.061(D) HB3 :: 1.934(D) HG2 :: 2.443(D) HG3 :: 2.307 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.533(D) Ave N Shift Values>> N :: 120.68(3.68) 1.L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 R 0.29 G 0.06 K 0.01 C Shift Assignments>> C :: 180.6(D) CA :: 57.863(D) CB :: 42.719(D) CG :: 26.744 CD1 :: 25.711(D) CD2 :: 26.844(D) 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 :: 7.951(D) HA :: 4.274(D) HB2 :: 2.103(D) HB3 :: 1.929(D) HG :: 1.735(D) HD11 :: 1.107(D) HD12 :: 1.107(D) HD13 :: 1.107(D) HD21 :: 0.902(D) HD22 :: 0.902(D) HD23 :: 0.902(D) 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 :: 121.022(D) Ave N Shift Values>> N :: 121.98(4.07) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 A 0.27 I 0.13 V 0.04 M 0.02 C Shift Assignments>> C :: 180.301(D) CA :: 56.983(D) CD1 :: 25.858(D) CD2 :: 20.653(D) 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 :: 8.351(D) HA :: 4.321(D) HB2 :: 2.124 HB3 :: 2.168 HG :: 1.498 HD11 :: 1.039(D) HD12 :: 1.039(D) HD13 :: 1.039(D) HD21 :: 0.799(D) HD22 :: 0.799(D) HD23 :: 0.799(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.688(D) Ave N Shift Values>> N :: 121.98(4.07) 1.Q20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 Q 0.24 P 0.14 E 0.11 I 0.1 R 0.1 M 0.01 C Shift Assignments>> C :: 177.273(D) CA :: 60.697(D) CB :: 28.261(D) CG :: 33.713(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.381(D) HA :: 3.794(D) HB2 :: 2.353(D) HB3 :: 2.218(D) HG2 :: 2.305(D) HG3 :: 2.192(D) HE21 :: 7.014 HE22 :: 6.711 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 :: 125.573(D) NE2 :: 109.416 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 P 0.14 A 0.07 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.849(D) CA :: 47.794(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.754(D) HA2 :: 4.133(D) HA3 :: 3.831(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.719(D) Ave N Shift Values>> N :: 109.91(4.29) 1.Y22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 175.211(D) CA :: 60.260(D) CB :: 38.630 CD1 :: 132.656(D) CD2 :: 132.656(D) CE1 :: 117.778(D) CE2 :: 117.778(D) 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 :: 6.679(D) HA :: 2.782(S) HB2 :: 2.773(D) HB3 :: 2.618(D) HD1 :: 6.435(D) HD2 :: 6.435(D) HE1 :: 6.284(D) HE2 :: 6.284(D) 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 :: 119.834(D) Ave N Shift Values>> N :: 120.79(4.69) 1.T23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S7 1.S7 C Shift Assignments>> C :: 175.724(D) CA :: 68.310(D) CB :: 68.009 CG2 :: 21.355(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.045(D) HA :: 3.125(D) HB :: 3.999(D) HG21 :: 0.902(D) HG22 :: 0.902(D) HG23 :: 0.902(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.008(D) Ave N Shift Values>> N :: 115.7(5.05) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.95 I 0.04 C Shift Assignments>> C :: 177.281(D) CA :: 67.577(D) CG1 :: 24.161(D) CG2 :: 21.217(D) 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 :: 8.672(D) HA :: 3.364(D) HB :: 2.119(D) HG11 :: 1.079(D) HG12 :: 1.079(D) HG13 :: 1.079(D) HG21 :: 0.867(D) HG22 :: 0.867(D) HG23 :: 0.867(D) 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 :: 120.630(D) Ave N Shift Values>> N :: 121.02(4.96) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.43 I 0.32 K 0.15 Q 0.06 C Shift Assignments>> C :: 179.012(D) CA :: 58.844 CB :: 28.138(D) CG :: 36.169 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 :: 7.190(D) HA :: 4.181(D) HB2 :: 2.157(D) HB3 :: 1.929(D) HG2 :: 2.519(D) HG3 :: 2.519(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.037(D) Ave N Shift Values>> N :: 120.68(3.68) 1.V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 2.V27 2.V27 C Shift Assignments>> C :: 178.942(D) CA :: 66.335 CB :: 30.992 CG1 :: 22.971 CG2 :: 23.616(D) 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 :: 8.167(D) HA :: 2.701(D) HB :: 1.841(D) HG11 :: 0.576(D) HG12 :: 0.576(D) HG13 :: 0.576(D) HG21 :: 0.199(D) HG22 :: 0.199(D) HG23 :: 0.199(D) 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 :: 120.672(D) Ave N Shift Values>> N :: 121.02(4.96) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.89 R 0.08 C Shift Assignments>> C :: 178.600(D) CA :: 57.429 CB :: 41.017(D) CG :: 27.277 CD1 :: 25.623(D) CD2 :: 23.222(D) 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 :: 8.057(D) HA :: 3.858(D) HB2 :: 1.890(D) HB3 :: 1.232(D) HG :: 1.240(D) HD11 :: 0.646(D) HD12 :: 0.646(D) HD13 :: 0.646(D) HD21 :: 0.708(D) HD22 :: 0.708(D) HD23 :: 0.708(D) 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 :: 119.655(D) Ave N Shift Values>> N :: 121.98(4.07) 1.R28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.62 G 0.22 K 0.15 C Shift Assignments>> C :: 177.909(D) CA :: 59.394(D) CB :: 31.767(D) CG :: 27.847(D) CD :: 43.756(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 :: 8.225(D) HA :: 4.022(D) HB2 :: 1.868(D) HB3 :: 1.801(D) HG2 :: 1.821(D) HG3 :: 1.507(D) HD2 :: 3.083(D) HD3 :: 3.083(D) HE :: 7.165(D) 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 :: 116.431(D) NE :: 84.337(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.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.27 E 0.27 M 0.08 R 0.03 I 0.02 C Shift Assignments>> C :: 175.936(D) CA :: 57.277 CB :: 29.342 CG :: 34.548 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 :: 8.496(D) HA :: 4.154(D) HB2 :: 1.991(D) HB3 :: 1.498(D) HG2 :: 2.489(D) HG3 :: 2.253(D) HE21 :: 8.123(D) HE22 :: 6.885(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 :: 114.957(D) NE2 :: 113.118(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.35 K 0.32 R 0.24 E 0.03 M 0.03 C Shift Assignments>> CA :: 55.584 CB :: 26.626 CG :: 33.370 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 :: 8.149(D) HA :: 3.729(D) HB2 :: 2.135(D) HB3 :: 2.126 HG2 :: 2.145 HG3 :: 2.145 HE21 :: 7.521(D) HE22 :: 6.831(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 :: 113.975(D) NE2 :: 111.937(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.660 CA :: 60.659 CB :: 31.432 CG :: 25.944 CD :: 50.724(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 :: 4.525(D) HB2 :: 1.713 HB3 :: 1.664(D) HG2 :: 1.965(D) HG3 :: 1.468(D) HD2 :: 3.383(D) HD3 :: 2.891(D) 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.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.667 CA :: 63.889 CB :: 31.937 CG :: 27.279 CD :: 50.507 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 :: 4.311(D) HB2 :: 2.265(D) HB3 :: 1.937 HG2 :: 2.038 HG3 :: 2.038 HD2 :: 3.769 HD3 :: 3.730 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.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.29 R 0.12 K 0.09 N 0.08 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 177.136 CA :: 52.173 CB :: 42.480(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 :: 7.464(D) HA :: 4.941(D) HB2 :: 2.875(D) HB3 :: 2.487(D) 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 :: 116.107(D) Ave N Shift Values>> N :: 120.73(4.2) 1.L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 R 0.45 K 0.06 G 0.03 C Shift Assignments>> C :: 179.532 CA :: 58.431 CB :: 42.241 CG :: 26.943 CD1 :: 27.524(D) CD2 :: 25.876(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.018(D) HA :: 3.818 HB2 :: 1.802 HB3 :: 1.598 HG :: 1.851 HD11 :: 0.814(D) HD12 :: 0.814(D) HD13 :: 0.814(D) HD21 :: 0.818(D) HD22 :: 0.818(D) HD23 :: 0.818(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.781(D) Ave N Shift Values>> N :: 121.98(4.07) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 2.A20 2.A20 C Shift Assignments>> C :: 177.395(D) CA :: 67.209(D) CB :: 31.686 CG2 :: 22.750(D) 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 :: 8.155(D) HA :: 3.588(D) HB :: 2.286 HG11 :: 1.132(D) HG12 :: 1.132(D) HG13 :: 1.132(D) HG21 :: 0.978(D) HG22 :: 0.978(D) HG23 :: 0.978(D) 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 :: 121.292(D) Ave N Shift Values>> N :: 121.02(4.96) 1.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.33 Q 0.33 E 0.13 R 0.1 M 0.03 I 0.03 C Shift Assignments>> C :: 178.713 CA :: 58.652(D) CB :: 28.477 CG :: 33.716 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 :: 8.188(D) HA :: 3.954(D) HB2 :: 2.044(D) HB3 :: 1.825(D) HG2 :: 2.462 HG3 :: 2.340 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 :: 120.888(D) Ave N Shift Values>> N :: 120.68(3.68) 1.F37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.591 CA :: 61.657 CB :: 39.779 CD1 :: 132.270 CD2 :: 132.270 CE1 :: 130.601(D) CE2 :: 130.601(D) CZ :: 129.993(D) 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 :: 8.101(D) HA :: 4.206(D) HB2 :: 3.186(D) HB3 :: 2.760(D) HD1 :: 7.070(D) HD2 :: 7.070(D) HE1 :: 6.900(D) HE2 :: 6.900(D) HZ :: 7.138(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.842 Ave N Shift Values>> N :: 120.69(4.18) 1.A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.78 A 0.14 I 0.07 C Shift Assignments>> C :: 178.857(D) CA :: 55.730(D) CB :: 16.333(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.827(D) HA :: 3.649(D) HB1 :: 0.591(D) HB2 :: 0.591(D) HB3 :: 0.591(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.447(D) Ave N Shift Values>> N :: 123.23(3.7) 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 :: 176.500(D) CA :: 68.652(D) CB :: 31.634 CG1 :: 23.215 CG2 :: 23.286(D) 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 :: 8.161(D) HA :: 3.326(D) HB :: 2.192(D) HG11 :: 0.965(D) HG12 :: 0.965(D) HG13 :: 0.965(D) HG21 :: 0.852(D) HG22 :: 0.852(D) HG23 :: 0.852(D) 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 :: 117.758(D) Ave N Shift Values>> N :: 121.02(4.96) 1.E40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.3 K 0.25 Q 0.22 I 0.14 R 0.03 M 0.02 C Shift Assignments>> C :: 177.826(D) CA :: 59.614(D) CB :: 28.775 CG :: 34.827 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 :: 7.896(D) HA :: 3.835(D) HB2 :: 2.070(D) HB3 :: 1.934(D) HG2 :: 2.455(D) HG3 :: 2.244 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 :: 120.575(D) Ave N Shift Values>> N :: 120.68(3.68) 1.Y41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 177.928(D) CA :: 61.936(D) CB :: 39.014 CD1 :: 132.386 CD2 :: 132.386 CE1 :: 117.608 CE2 :: 117.608 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 :: 8.892(D) HA :: 3.546(D) HB2 :: 2.219(D) HB3 :: 2.190(D) HD1 :: 5.811(D) HD2 :: 5.811(D) HE1 :: 6.412(D) HE2 :: 6.412(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.002(D) Ave N Shift Values>> N :: 120.79(4.69) 1.F42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.99 C Shift Assignments>> C :: 177.310 CA :: 62.706(D) CB :: 38.002(D) CD1 :: 131.898(D) CD2 :: 131.898(D) CE1 :: 128.804(D) CE2 :: 128.804(D) CZ :: 130.371(D) 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 :: 8.726(D) HA :: 4.092(D) HB2 :: 3.145(D) HB3 :: 2.707(D) HD1 :: 7.242(D) HD2 :: 7.242(D) HE1 :: 6.520(D) HE2 :: 6.520(D) HZ :: 6.536(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.550(D) Ave N Shift Values>> N :: 120.69(4.18) 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 :: 176.204(D) CA :: 68.032 CB :: 68.192 CG2 :: 21.206 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 :: 7.985(D) HA :: 4.205(D) HB :: 3.716(D) HG21 :: 1.148(D) HG22 :: 1.148(D) HG23 :: 1.148(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.860(D) Ave N Shift Values>> N :: 115.7(5.05) 1.R44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.72 G 0.17 K 0.06 L 0.03 C Shift Assignments>> C :: 179.186(D) CA :: 59.376(D) CB :: 29.430 CG :: 27.529 CD :: 43.503 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 :: 7.671(D) HA :: 3.911(D) HB2 :: 1.710 HB3 :: 1.710 HG2 :: 1.645 HG3 :: 1.472 HD2 :: 3.527(D) HD3 :: 3.053(D) HE :: 7.137 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.751(D) NE :: 84.636 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.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 K 0.39 R 0.08 G 0.01 C Shift Assignments>> C :: 179.143 CA :: 57.698(D) CB :: 42.230 CG :: 26.896 CD2 :: 25.212 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 :: 7.325(D) HA :: 3.889(D) HB2 :: 1.539(D) HB3 :: 1.517(D) HG :: 1.378(D) HD11 :: 0.730(D) HD12 :: 0.730(D) HD13 :: 0.730(D) HD21 :: 0.731(D) HD22 :: 0.731(D) HD23 :: 0.731(D) 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 :: 119.235(D) Ave N Shift Values>> N :: 121.98(4.07) 1.R46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.65 G 0.28 K 0.04 L 0.01 C Shift Assignments>> C :: 178.364 CA :: 59.089 CB :: 30.268 CG :: 26.768 CD :: 44.012 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 :: 7.891(D) HA :: 3.871(D) HB2 :: 2.180 HB3 :: 1.727 HG2 :: 1.735 HG3 :: 1.683 HD2 :: 3.323 HD3 :: 3.002 HE :: 7.512(D) 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 :: 119.677(D) NE :: 84.115(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.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.43 K 0.22 Q 0.17 I 0.08 M 0.06 R 0.01 C Shift Assignments>> C :: 177.183 CA :: 57.549 CB :: 29.244 CG :: 35.557 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 :: 7.949(D) HA :: 4.083 HB2 :: 2.074 HB3 :: 2.030 HG2 :: 2.463 HG3 :: 2.360 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.564(D) Ave N Shift Values>> N :: 120.68(3.68) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C Shift Assignments>> C :: 177.767 CA :: 52.953 CB :: 18.757 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.664 HA :: 4.246 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.281 Ave N Shift Values>> N :: 123.23(3.7) 1.R49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.68 G 0.24 K 0.06 C Shift Assignments>> CA :: 56.346 CB :: 30.836 CG :: 26.733 CD :: 43.970 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 :: 7.533 HA :: 4.268 HB2 :: 1.929 HB3 :: 1.805 HG2 :: 1.762(D) HG3 :: 1.746(D) HD2 :: 3.180 HD3 :: 3.143 HE :: 7.394(D) 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 :: 118.381 NE :: 84.464(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.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.61 M 0.32 L 0.03 C Shift Assignments>> CA :: 53.777 CB :: 19.959 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.715 HA :: 4.099 HB1 :: 1.332(D) HB2 :: 1.332(D) HB3 :: 1.332(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.133 Ave N Shift Values>> N :: 123.23(3.7) 2.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.37 M 0.25 V 0.17 T 0.1 I 0.08 C Shift Assignments>> CB :: 19.619 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.062 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 2.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.62 Q 0.23 E 0.09 K 0.04 C Shift Assignments>> C :: 175.809 CA :: 56.311 CB :: 33.225 CG :: 32.439 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.380 HB2 :: 2.019 HB3 :: 1.962 HG2 :: 2.544 HG3 :: 2.544 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) 2.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 L 0.01 C Shift Assignments>> C :: 177.086 CA :: 52.873 CB :: 19.437 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.332 HA :: 4.252 HB1 :: 1.320 HB2 :: 1.320 HB3 :: 1.320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.658 Ave N Shift Values>> N :: 123.23(3.7) 2.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.15 F 0.09 N 0.09 Y 0.07 R 0.04 C Shift Assignments>> C :: 176.425 CA :: 54.430 CB :: 41.313 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 :: 8.152 HA :: 4.561 HB2 :: 2.663 HB3 :: 2.571 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 :: 119.388 Ave N Shift Values>> N :: 120.73(4.2) 2.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.861 CA :: 61.738 CB :: 38.920 CG1 :: 27.491 CG2 :: 17.653 CD1 :: 13.637 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.998 HA :: 4.117 HB :: 1.867 HG12 :: 1.396 HG13 :: 1.147 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 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 :: 120.499 Ave N Shift Values>> N :: 121.6(4.72) 2.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.446 CA :: 45.625 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.393 HA2 :: 3.904 HA3 :: 3.904 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.757 Ave N Shift Values>> N :: 109.91(4.29) 2.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.752 CA :: 58.560 CB :: 64.253 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.040 HA :: 4.378 HB2 :: 3.853 HB3 :: 3.804 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 :: 115.580 Ave N Shift Values>> N :: 116.3(3.95) 2.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.26 C Shift Assignments>> C :: 177.908 CA :: 53.137 CB :: 19.169 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.282 HA :: 4.290 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.815 Ave N Shift Values>> N :: 123.23(3.7) 2.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.098 CA :: 58.876 CB :: 63.881 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.084 HA :: 4.265 HB2 :: 3.766 HB3 :: 3.737 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 :: 114.144 Ave N Shift Values>> N :: 116.3(3.95) 2.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.661 CA :: 45.362 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.133 HA2 :: 3.873 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.206 Ave N Shift Values>> N :: 109.91(4.29) 2.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.230 CA :: 58.085 CB :: 38.875 CD1 :: 135.303 CD2 :: 135.303 CE1 :: 116.385 CE2 :: 116.385 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 :: 7.917 HA :: 4.502 HB2 :: 2.952 HB3 :: 2.878 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 6.743 HE2 :: 6.743 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 :: 120.211 Ave N Shift Values>> N :: 120.79(4.69) 2.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 59.533 CB :: 33.907 CG1 :: 21.765 CG2 :: 21.206 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 :: 7.982 HA :: 4.257 HB :: 2.007 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.790 Ave N Shift Values>> N :: 121.02(4.96) 2.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.793 CA :: 63.823 CB :: 32.639 CG :: 27.864 CD :: 51.187 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 :: 4.291 HB2 :: 2.517 HB3 :: 1.860 HG2 :: 1.864 HG3 :: 2.055 HD2 :: 3.803 HD3 :: 3.462 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) 2.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.38 K 0.05 M 0.04 Q 0.01 C Shift Assignments>> C :: 177.902 CA :: 59.738 CB :: 30.076 CG :: 36.843 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 :: 8.905 HA :: 4.041 HB2 :: 2.123 HB3 :: 2.025 HG2 :: 2.455 HG3 :: 2.317 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 :: 124.483 Ave N Shift Values>> N :: 120.68(3.68) 2.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 I 0.25 Y 0.19 F 0.1 V 0.05 M 0.04 K 0.03 C Shift Assignments>> C :: 179.209 CA :: 59.800 CG :: 36.414 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.041 HA :: 4.049 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.314 HG3 :: 2.314 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.331 Ave N Shift Values>> N :: 120.68(3.68) 2.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.564 CA :: 64.759 CB :: 37.396 CG1 :: 29.610 CG2 :: 18.511 CD1 :: 12.654 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 :: 7.247 HA :: 3.596 HB :: 1.928 HG12 :: 1.607 HG13 :: 1.033 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 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 :: 117.973 Ave N Shift Values>> N :: 121.6(4.72) 2.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 178.404 CA :: 61.327 CB :: 29.384 CD1 :: 128.082 CE3 :: 118.687 CZ2 :: 112.645 CZ3 :: 121.307 CH2 :: 125.199 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 :: 7.836 HA :: 3.845 HB2 :: 3.301 HB3 :: 3.158 HD1 :: 7.026 HE1 :: 10.023 HE3 :: 7.343 HZ2 :: 7.472 HZ3 :: 7.105 HH2 :: 7.235 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 :: 120.310 NE1 :: 129.777 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 2.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 M 0.02 G 0.02 C Shift Assignments>> C :: 179.497 CA :: 59.192 CB :: 32.667 CG :: 25.532 CD :: 29.207 CE :: 42.264 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 :: 8.477 HA :: 4.060 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 1.613 HG3 :: 1.511 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 2.956 HE3 :: 2.956 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 :: 116.834 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.43 M 0.02 C Shift Assignments>> C :: 178.766 CA :: 57.946 CB :: 31.370 CG :: 24.858 CD :: 28.277 CE :: 41.929 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 :: 7.622 HA :: 4.088 HB2 :: 1.854 HB3 :: 1.646 HG2 :: 1.405 HG3 :: 1.405 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.946 HE3 :: 2.946 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.846 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.02 V 0.02 L 0.01 HN Overlap>> 1.V35 1.V35 C Shift Assignments>> C :: 178.156 CA :: 55.323 CB :: 19.194 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.153 HA :: 3.855 HB1 :: 1.142 HB2 :: 1.142 HB3 :: 1.142 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.340 Ave N Shift Values>> N :: 123.23(3.7) 2.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.32 K 0.07 M 0.04 Q 0.02 C Shift Assignments>> C :: 179.158 CA :: 59.671 CB :: 29.893 CG :: 36.426 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 :: 8.096 HA :: 3.771 HB2 :: 1.986 HB3 :: 1.854 HG2 :: 2.141 HG3 :: 1.973 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.565 Ave N Shift Values>> N :: 120.68(3.68) 2.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.26 K 0.09 M 0.05 Q 0.04 C Shift Assignments>> C :: 179.457 CA :: 59.366 CB :: 29.869 CG :: 36.252 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 :: 7.818 HA :: 4.052 HB2 :: 2.194 HB3 :: 2.136 HG2 :: 2.456 HG3 :: 2.212 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 :: 119.233 Ave N Shift Values>> N :: 120.68(3.68) 2.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 179.931 CA :: 55.102 CB :: 17.889 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.973 HA :: 4.170 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.717 Ave N Shift Values>> N :: 123.23(3.7) 2.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.886 CA :: 67.664 CB :: 31.565 CG1 :: 22.737 CG2 :: 24.068 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 :: 8.592 HA :: 3.400 HB :: 2.210 HG11 :: 1.050 HG12 :: 1.050 HG13 :: 1.050 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.786 Ave N Shift Values>> N :: 121.02(4.96) 2.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.21 E 0.17 N 0.09 I 0.08 D 0.06 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 178.443 CA :: 56.649 CB :: 37.939 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 :: 8.400 HA :: 4.450 HB2 :: 2.967 HB3 :: 2.771 HD21 :: 7.559 HD22 :: 7.070 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 :: 119.566 ND2 :: 112.654 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 K 0.21 Q 0.18 I 0.15 M 0.03 R 0.01 C Shift Assignments>> C :: 178.207 CA :: 59.319 CB :: 29.128 CG :: 35.211 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 :: 7.789 HA :: 4.245 HB2 :: 2.183 HB3 :: 2.172 HG2 :: 2.374 HG3 :: 2.297 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.003 Ave N Shift Values>> N :: 120.68(3.68) 2.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V26 1.V26 C Shift Assignments>> C :: 177.918 CA :: 67.373 CB :: 31.743 CG1 :: 24.402 CG2 :: 21.661 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 :: 8.240 HA :: 3.468 HB :: 2.403 HG11 :: 1.266 HG12 :: 1.266 HG13 :: 1.266 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 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 :: 120.599 Ave N Shift Values>> N :: 121.02(4.96) 2.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.39 G 0.03 C Shift Assignments>> C :: 177.874 CA :: 61.473 CB :: 32.424 CG :: 26.287 CD :: 26.201 CE :: 41.727 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 :: 8.244 HA :: 3.663 HB2 :: 1.947 HB3 :: 1.746 HG2 :: 1.143 HG3 :: 1.143 HD2 :: 1.765 HD3 :: 1.765 HE2 :: 2.878 HE3 :: 2.878 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.273 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.24 K 0.08 C Shift Assignments>> C :: 179.959 CA :: 59.843 CB :: 30.666 CG :: 27.598 CD :: 43.780 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 :: 7.855 HA :: 3.969 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 1.706 HG3 :: 1.511 HD2 :: 3.228 HD3 :: 3.156 HE :: 7.564 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 :: 118.510 NE :: 103.709 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.3 E 0.19 R 0.07 I 0.07 M 0.01 C Shift Assignments>> C :: 179.368 CA :: 58.823 CB :: 28.128 CG :: 34.278 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 :: 8.604 HA :: 4.013 HB2 :: 2.078 HB3 :: 1.958 HG2 :: 2.515 HG3 :: 2.417 HE21 :: 7.693 HE22 :: 6.648 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.083 NE2 :: 110.772 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 L 0.02 V 0.02 I 0.01 C Shift Assignments>> C :: 178.548 CA :: 55.118 CB :: 19.534 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.691 HA :: 3.921 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.115 Ave N Shift Values>> N :: 123.23(3.7) 2.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 Q 0.24 E 0.1 K 0.08 R 0.01 C Shift Assignments>> C :: 178.786 CA :: 58.610 CB :: 32.085 CG :: 32.922 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 :: 7.886 HA :: 3.996 HB2 :: 2.171 HB3 :: 1.990 HG2 :: 2.678 HG3 :: 2.444 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 :: 114.365 Ave N Shift Values>> N :: 120.1(3.88) 2.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.532 CA :: 66.710 CB :: 69.109 CG2 :: 21.715 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 :: 7.863 HA :: 3.905 HB :: 4.236 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.189 Ave N Shift Values>> N :: 115.7(5.05) 2.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 K 0.2 I 0.17 Q 0.14 M 0.03 R 0.01 C Shift Assignments>> C :: 178.473 CA :: 59.093 CB :: 29.037 CG :: 35.477 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 :: 7.815 HA :: 3.989 HB2 :: 2.071 HB3 :: 2.071 HG2 :: 2.239 HG3 :: 2.239 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 :: 121.890 Ave N Shift Values>> N :: 120.68(3.68) 2.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 R 0.35 G 0.03 K 0.03 C Shift Assignments>> C :: 178.029 CA :: 56.468 CB :: 42.630 CG :: 27.819 CD1 :: 26.344 CD2 :: 24.202 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 :: 7.606 HA :: 4.123 HB2 :: 1.729 HB3 :: 1.645 HG :: 1.752 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 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 :: 118.246 Ave N Shift Values>> N :: 121.98(4.07) 2.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 E 0.28 K 0.26 M 0.09 R 0.02 I 0.02 C Shift Assignments>> C :: 175.920 CA :: 56.600 CB :: 29.460 CG :: 34.668 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.623 HA :: 4.232 HB2 :: 2.163 HB3 :: 2.048 HG2 :: 2.467 HG3 :: 2.334 HE21 :: 7.234 HE22 :: 6.754 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 :: 116.723 NE2 :: 110.901 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.36 M 0.04 G 0.03 C Shift Assignments>> C :: 175.332 CA :: 57.031 CB :: 33.190 CG :: 24.961 CD :: 29.517 CE :: 42.671 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 :: 7.500 HA :: 4.215 HB2 :: 1.855 HB3 :: 1.809 HG2 :: 1.490 HG3 :: 1.424 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.942 HE3 :: 2.942 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.605 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.26 L 0.04 C Shift Assignments>> CA :: 53.180 CB :: 20.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.728 HA :: 4.084 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.347 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 44 #Clerical: 43 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 84 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 88 #Suspicious: 0 C Shift Results: #Consistent: 258 #Duplicate: 106 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 349 #Duplicate: 273 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 52 #Duplicate: 41 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A2 H = 8.586(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2001e-01 1.A2 HB1 = 1.350(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.0448e-01 1.A2 HB2 = 1.350(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.0448e-01 1.A2 HB3 = 1.350(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.0448e-01 1.M6 H = 8.408(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.0517e-01 1.M6 N = 121.922(D), Expected = 120.10, Std = 3.8800, ChiSquare = 6.3865e-01 1.H8 C = 173.847(D), Expected = 175.19, Std = 2.1400, ChiSquare = 5.3029e-01 1.H8 CA = 55.082(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.9150e-01 1.H8 CB = 28.990(D), Expected = 29.95, Std = 2.1500, ChiSquare = 6.5523e-01 1.H8 H = 8.356(D), Expected = 8.25, Std = 0.7400, ChiSquare = 8.8610e-01 1.H8 HA = 4.703(D), Expected = 4.62, Std = 0.5100, ChiSquare = 8.7072e-01 1.H8 HB2 = 3.228(D), Expected = 3.12, Std = 0.4300, ChiSquare = 8.0169e-01 1.H8 HB3 = 3.076(D), Expected = 3.11, Std = 0.4500, ChiSquare = 9.3977e-01 1.H8 N = 119.944(D), Expected = 119.44, Std = 4.5200, ChiSquare = 9.1122e-01 1.I9 CA = 60.708(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.5104e-01 1.I9 CB = 38.360(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.1617e-01 1.I9 CG1 = 27.408(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.1692e-01 1.I9 CG2 = 18.209(D), Expected = 17.36, Std = 1.6000, ChiSquare = 5.9568e-01 1.I9 CD1 = 13.389(D), Expected = 13.41, Std = 1.9100, ChiSquare = 9.9123e-01 1.I9 H = 8.014(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.2898e-01 1.I9 HA = 4.045(D), Expected = 4.20, Std = 0.5600, ChiSquare = 7.8194e-01 1.I9 HB = 1.703(D), Expected = 1.80, Std = 0.3100, ChiSquare = 7.5435e-01 1.I9 HG12 = 1.378(D), Expected = 1.30, Std = 0.4000, ChiSquare = 8.4539e-01 1.I9 HG13 = 1.099(D), Expected = 1.24, Std = 0.4000, ChiSquare = 7.2446e-01 1.I9 HG21 = 0.757(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.8213e-01 1.I9 HG22 = 0.757(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.8213e-01 1.I9 HG23 = 0.757(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.8213e-01 1.I9 HD11 = 0.788(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.6927e-01 1.I9 HD12 = 0.788(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.6927e-01 1.I9 HD13 = 0.788(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.6927e-01 1.I9 N = 122.704(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.1506e-01 1.Q10 C = 174.646(D), Expected = 176.39, Std = 1.9600, ChiSquare = 3.7358e-01 1.Q10 CA = 54.182(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.6560e-01 1.Q10 H = 8.179(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.4728e-01 1.Q10 HA = 4.410(D), Expected = 4.28, Std = 0.4400, ChiSquare = 7.6765e-01 1.Q10 HB2 = 1.933(D), Expected = 2.05, Std = 0.2800, ChiSquare = 6.7605e-01 1.Q10 HB3 = 1.799(D), Expected = 2.04, Std = 0.2900, ChiSquare = 4.0595e-01 1.Q10 HG2 = 2.196(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.6895e-01 1.Q10 HG3 = 2.196(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.6895e-01 1.Q10 N = 124.923(D), Expected = 119.92, Std = 4.0100, ChiSquare = 2.1217e-01 1.I11 CB = 36.911(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.2454e-01 1.I11 CG1 = 27.176(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.3811e-01 1.I11 CG2 = 17.411(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.7457e-01 1.I11 CD1 = 11.380(D), Expected = 13.41, Std = 1.9100, ChiSquare = 2.8786e-01 1.I11 H = 8.516(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.1843e-01 1.I11 HA = 4.140(D), Expected = 4.20, Std = 0.5600, ChiSquare = 9.1468e-01 1.I11 HB = 1.966(D), Expected = 1.80, Std = 0.3100, ChiSquare = 5.9232e-01 1.I11 HG12 = 1.516(D), Expected = 1.30, Std = 0.4000, ChiSquare = 5.8920e-01 1.I11 HG13 = 1.301(D), Expected = 1.24, Std = 0.4000, ChiSquare = 8.7879e-01 1.I11 HG21 = 0.892(D), Expected = 0.80, Std = 0.2900, ChiSquare = 7.5106e-01 1.I11 HG22 = 0.892(D), Expected = 0.80, Std = 0.2900, ChiSquare = 7.5106e-01 1.I11 HG23 = 0.892(D), Expected = 0.80, Std = 0.2900, ChiSquare = 7.5106e-01 1.I11 HD11 = 0.736(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.0448e-01 1.I11 HD12 = 0.736(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.0448e-01 1.I11 HD13 = 0.736(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.0448e-01 1.I11 N = 124.850(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.9110e-01 1.P12 CD = 50.827(D), Expected = 50.28, Std = 1.0400, ChiSquare = 5.9891e-01 1.P12 HD3 = 3.364(D), Expected = 3.63, Std = 0.4000, ChiSquare = 5.0605e-01 1.P13 C = 177.283(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.3012e-01 1.P13 CA = 63.792(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.6418e-01 1.P13 CB = 31.777(D), Expected = 31.81, Std = 1.5400, ChiSquare = 9.8290e-01 1.P13 CG = 27.607(D), Expected = 27.14, Std = 1.1800, ChiSquare = 6.9228e-01 1.P13 HA = 4.356(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.8076e-01 1.P13 HB2 = 2.317(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.9359e-01 1.P13 HB3 = 1.903(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.0623e-01 1.P13 HG2 = 2.118(D), Expected = 1.93, Std = 0.3600, ChiSquare = 6.0152e-01 1.P13 HG3 = 2.021(D), Expected = 1.92, Std = 0.3700, ChiSquare = 7.8487e-01 1.P13 HD2 = 3.865(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.3197e-01 1.P13 HD3 = 3.668(D), Expected = 3.63, Std = 0.4000, ChiSquare = 9.2432e-01 1.G14 C = 175.563(D), Expected = 174.04, Std = 1.9400, ChiSquare = 4.3242e-01 1.G14 CA = 45.422(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.4834e-01 1.G14 H = 8.645(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.8022e-01 1.G14 HA2 = 4.210(D), Expected = 3.95, Std = 0.4000, ChiSquare = 5.1569e-01 1.G14 HA3 = 3.891(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.2233e-01 1.G14 N = 110.582(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.7553e-01 1.L15 C = 177.922(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.4875e-01 1.L15 CA = 59.384(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.1106e-02 1.L15 CD1 = 26.026(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.4851e-01 1.L15 CD2 = 25.782(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.4469e-01 1.L15 H = 7.466(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.4605e-01 1.L15 HA = 4.011(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.1089e-01 1.L15 HB2 = 1.877(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.6755e-01 1.L15 HD11 = 1.093(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3158e-01 1.L15 HD12 = 1.093(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3158e-01 1.L15 HD13 = 1.093(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3158e-01 1.L15 HD21 = 0.948(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.0195e-01 1.L15 HD22 = 0.948(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.0195e-01 1.L15 HD23 = 0.948(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.0195e-01 1.L15 N = 122.247(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.4769e-01 1.T16 C = 176.657(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.5313e-01 1.T16 CA = 66.444(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.1441e-01 1.T16 CB = 67.714(D), Expected = 69.64, Std = 1.7000, ChiSquare = 2.5724e-01 1.T16 CG2 = 21.914(D), Expected = 21.44, Std = 1.3900, ChiSquare = 7.3310e-01 1.T16 H = 8.679(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.0946e-01 1.T16 HA = 3.668(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.0438e-01 1.T16 HB = 4.123(D), Expected = 4.17, Std = 0.3700, ChiSquare = 8.9892e-01 1.T16 HG21 = 1.210(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.5827e-01 1.T16 HG22 = 1.210(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.5827e-01 1.T16 HG23 = 1.210(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.5827e-01 1.T16 N = 112.909(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.8049e-01 1.E17 C = 179.431(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.3590e-01 1.E17 CA = 60.482(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.6206e-01 1.E17 CB = 28.861(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.1114e-01 1.E17 H = 8.903(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.5603e-01 1.E17 HA = 3.951(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.7238e-01 1.E17 HB2 = 2.061(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.2395e-01 1.E17 HB3 = 1.934(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.4489e-01 1.E17 HG2 = 2.443(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.2652e-01 1.E17 N = 122.533(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.1459e-01 1.L18 C = 180.6(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.2415e-02 1.L18 CA = 57.863(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.1665e-01 1.L18 CB = 42.719(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.5116e-01 1.L18 CD1 = 25.711(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.6618e-01 1.L18 CD2 = 26.844(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.2318e-01 1.L18 H = 7.951(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.7899e-01 1.L18 HA = 4.274(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.2203e-01 1.L18 HB2 = 2.103(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.6417e-01 1.L18 HB3 = 1.929(D), Expected = 1.57, Std = 0.3600, ChiSquare = 3.1866e-01 1.L18 HG = 1.735(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.5458e-01 1.L18 HD11 = 1.107(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1198e-01 1.L18 HD12 = 1.107(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1198e-01 1.L18 HD13 = 1.107(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1198e-01 1.L18 HD21 = 0.902(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.1205e-01 1.L18 HD22 = 0.902(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.1205e-01 1.L18 HD23 = 0.902(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.1205e-01 1.L18 N = 121.022(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.1391e-01 1.L19 C = 180.301(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.1099e-01 1.L19 CA = 56.983(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.4640e-01 1.L19 CD1 = 25.858(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.0948e-01 1.L19 CD2 = 20.653(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.2804e-02 1.L19 H = 8.351(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.4028e-01 1.L19 HA = 4.321(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.9830e-01 1.L19 HD11 = 1.039(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1911e-01 1.L19 HD12 = 1.039(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1911e-01 1.L19 HD13 = 1.039(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1911e-01 1.L19 HD21 = 0.799(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.8922e-01 1.L19 HD22 = 0.799(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.8922e-01 1.L19 HD23 = 0.799(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.8922e-01 1.L19 N = 115.688(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.2212e-01 1.Q20 C = 177.273(D), Expected = 176.39, Std = 1.9600, ChiSquare = 6.5234e-01 1.Q20 CA = 60.697(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.2654e-02 1.Q20 CB = 28.261(D), Expected = 29.10, Std = 1.9700, ChiSquare = 6.7019e-01 1.Q20 CG = 33.713(D), Expected = 33.72, Std = 1.1000, ChiSquare = 9.9492e-01 1.Q20 H = 9.381(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.1127e-02 1.Q20 HA = 3.794(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.6936e-01 1.Q20 HB2 = 2.353(D), Expected = 2.05, Std = 0.2800, ChiSquare = 2.7919e-01 1.Q20 HB3 = 2.218(D), Expected = 2.04, Std = 0.2900, ChiSquare = 5.3935e-01 1.Q20 HG2 = 2.305(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.5875e-01 1.Q20 HG3 = 2.192(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.5894e-01 1.Q20 N = 125.573(D), Expected = 119.92, Std = 4.0100, ChiSquare = 1.5862e-01 1.G21 C = 175.849(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.5109e-01 1.G21 CA = 47.794(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.2703e-02 1.G21 H = 7.754(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.2842e-01 1.G21 HA2 = 4.133(D), Expected = 3.95, Std = 0.4000, ChiSquare = 6.4731e-01 1.G21 HA3 = 3.831(D), Expected = 3.93, Std = 0.4000, ChiSquare = 8.0452e-01 1.G21 N = 105.719(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.2861e-01 1.Y22 C = 175.211(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.2455e-01 1.Y22 CA = 60.260(D), Expected = 58.02, Std = 2.6400, ChiSquare = 3.9617e-01 1.Y22 CD1 = 132.656(D), Expected = 132.54, Std = 1.3500, ChiSquare = 9.3153e-01 1.Y22 CD2 = 132.656(D), Expected = 132.26, Std = 1.9900, ChiSquare = 8.4227e-01 1.Y22 CE1 = 117.778(D), Expected = 117.81, Std = 2.0900, ChiSquare = 9.8778e-01 1.Y22 CE2 = 117.778(D), Expected = 117.91, Std = 2.6000, ChiSquare = 9.5951e-01 1.Y22 H = 6.679(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.4154e-02 1.Y22 HA = 2.782(S), Expected = 4.63, Std = 0.5600, ChiSquare = 9.6685e-04 1.Y22 HB2 = 2.773(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.1118e-01 1.Y22 HB3 = 2.618(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.3000e-01 1.Y22 HD1 = 6.435(D), Expected = 6.87, Std = 0.6500, ChiSquare = 5.0335e-01 1.Y22 HD2 = 6.435(D), Expected = 6.86, Std = 0.6800, ChiSquare = 5.3197e-01 1.Y22 HE1 = 6.284(D), Expected = 6.64, Std = 0.5800, ChiSquare = 5.3935e-01 1.Y22 HE2 = 6.284(D), Expected = 6.63, Std = 0.6100, ChiSquare = 5.7057e-01 1.Y22 N = 119.834(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.3848e-01 1.T23 C = 175.724(D), Expected = 174.60, Std = 1.8000, ChiSquare = 5.3234e-01 1.T23 CA = 68.310(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.3531e-02 1.T23 CG2 = 21.355(D), Expected = 21.44, Std = 1.3900, ChiSquare = 9.5124e-01 1.T23 H = 8.045(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.1668e-01 1.T23 HA = 3.125(D), Expected = 4.48, Std = 0.5000, ChiSquare = 6.7283e-03 1.T23 HB = 3.999(D), Expected = 4.17, Std = 0.3700, ChiSquare = 6.4396e-01 1.T23 HG21 = 0.902(D), Expected = 1.16, Std = 0.2800, ChiSquare = 3.5683e-01 1.T23 HG22 = 0.902(D), Expected = 1.16, Std = 0.2800, ChiSquare = 3.5683e-01 1.T23 HG23 = 0.902(D), Expected = 1.16, Std = 0.2800, ChiSquare = 3.5683e-01 1.T23 N = 116.008(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.5137e-01 1.V24 C = 177.281(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.3319e-01 1.V24 CA = 67.577(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.3612e-02 1.V24 CG1 = 24.161(D), Expected = 21.38, Std = 1.5300, ChiSquare = 6.9118e-02 1.V24 CG2 = 21.217(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.5786e-01 1.V24 H = 8.672(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.9056e-01 1.V24 HA = 3.364(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.6257e-01 1.V24 HB = 2.119(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.9586e-01 1.V24 HG11 = 1.079(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.7606e-01 1.V24 HG12 = 1.079(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.7606e-01 1.V24 HG13 = 1.079(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.7606e-01 1.V24 HG21 = 0.867(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.9848e-01 1.V24 HG22 = 0.867(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.9848e-01 1.V24 HG23 = 0.867(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.9848e-01 1.V24 N = 120.630(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.3733e-01 1.E25 C = 179.012(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.2378e-01 1.E25 CB = 28.138(D), Expected = 30.07, Std = 1.8400, ChiSquare = 2.9372e-01 1.E25 H = 7.190(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.9397e-02 1.E25 HA = 4.181(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.5423e-01 1.E25 HB2 = 2.157(D), Expected = 2.04, Std = 0.2200, ChiSquare = 5.9485e-01 1.E25 HB3 = 1.929(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.2937e-01 1.E25 HG2 = 2.519(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.1962e-01 1.E25 HG3 = 2.519(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.1962e-01 1.E25 N = 117.037(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.2220e-01 1.V26 C = 178.942(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.0916e-01 1.V26 CG2 = 23.616(D), Expected = 21.31, Std = 1.7600, ChiSquare = 1.9012e-01 1.V26 H = 8.167(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.6246e-01 1.V26 HA = 2.701(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.0478e-02 1.V26 HB = 1.841(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.5162e-01 1.V26 HG11 = 0.576(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.2818e-01 1.V26 HG12 = 0.576(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.2818e-01 1.V26 HG13 = 0.576(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.2818e-01 1.V26 HG21 = 0.199(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.9566e-02 1.V26 HG22 = 0.199(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.9566e-02 1.V26 HG23 = 0.199(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.9566e-02 1.V26 N = 120.672(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.4407e-01 1.L27 C = 178.600(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.3545e-01 1.L27 CB = 41.017(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.6697e-01 1.L27 CD1 = 25.623(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.0152e-01 1.L27 CD2 = 23.222(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.2183e-01 1.L27 H = 8.057(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.0199e-01 1.L27 HA = 3.858(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.2562e-01 1.L27 HB2 = 1.890(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.4445e-01 1.L27 HB3 = 1.232(D), Expected = 1.57, Std = 0.3600, ChiSquare = 3.4779e-01 1.L27 HG = 1.240(D), Expected = 1.54, Std = 0.3300, ChiSquare = 3.6330e-01 1.L27 HD11 = 0.646(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4605e-01 1.L27 HD12 = 0.646(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4605e-01 1.L27 HD13 = 0.646(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4605e-01 1.L27 HD21 = 0.708(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5267e-01 1.L27 HD22 = 0.708(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5267e-01 1.L27 HD23 = 0.708(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5267e-01 1.L27 N = 119.655(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.6783e-01 1.R28 C = 177.909(D), Expected = 176.49, Std = 2.1600, ChiSquare = 5.1122e-01 1.R28 CA = 59.394(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.1053e-01 1.R28 CB = 31.767(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.3169e-01 1.R28 CG = 27.847(D), Expected = 27.31, Std = 1.6500, ChiSquare = 7.4484e-01 1.R28 CD = 43.756(D), Expected = 43.10, Std = 1.1000, ChiSquare = 5.5093e-01 1.R28 H = 8.225(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.8006e-01 1.R28 HA = 4.022(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.7300e-01 1.R28 HB2 = 1.868(D), Expected = 1.79, Std = 0.2800, ChiSquare = 7.8057e-01 1.R28 HB3 = 1.801(D), Expected = 1.78, Std = 0.2800, ChiSquare = 9.4021e-01 1.R28 HG2 = 1.821(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.7208e-01 1.R28 HG3 = 1.507(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.8688e-01 1.R28 HD2 = 3.083(D), Expected = 3.13, Std = 0.2300, ChiSquare = 8.3808e-01 1.R28 HD3 = 3.083(D), Expected = 3.13, Std = 0.2200, ChiSquare = 8.3083e-01 1.R28 HE = 7.165(D), Expected = 7.32, Std = 0.5200, ChiSquare = 7.6564e-01 1.R28 N = 116.431(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.8393e-01 1.R28 NE = 84.337(D), Expected = 89.80, Std = 12.8300, ChiSquare = 6.7025e-01 1.Q29 C = 175.936(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.1682e-01 1.Q29 H = 8.496(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.5620e-01 1.Q29 HA = 4.154(D), Expected = 4.28, Std = 0.4400, ChiSquare = 7.7460e-01 1.Q29 HB2 = 1.991(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.3311e-01 1.Q29 HB3 = 1.498(D), Expected = 2.04, Std = 0.2900, ChiSquare = 6.1628e-02 1.Q29 HG2 = 2.489(D), Expected = 2.32, Std = 0.2900, ChiSquare = 5.6006e-01 1.Q29 HG3 = 2.253(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.1729e-01 1.Q29 HE21 = 8.123(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.8290e-02 1.Q29 HE22 = 6.885(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.0576e-01 1.Q29 N = 114.957(D), Expected = 119.92, Std = 4.0100, ChiSquare = 2.1584e-01 1.Q29 NE2 = 113.118(D), Expected = 111.81, Std = 2.2000, ChiSquare = 5.5215e-01 1.Q30 H = 8.149(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.0883e-01 1.Q30 HA = 3.729(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.1047e-01 1.Q30 HB2 = 2.135(D), Expected = 2.05, Std = 0.2800, ChiSquare = 7.6145e-01 1.Q30 HE21 = 7.521(D), Expected = 7.17, Std = 0.4600, ChiSquare = 4.4544e-01 1.Q30 HE22 = 6.831(D), Expected = 7.07, Std = 0.4900, ChiSquare = 6.2572e-01 1.Q30 N = 113.975(D), Expected = 119.92, Std = 4.0100, ChiSquare = 1.3820e-01 1.Q30 NE2 = 111.937(D), Expected = 111.81, Std = 2.2000, ChiSquare = 9.5397e-01 1.P31 CD = 50.724(D), Expected = 50.28, Std = 1.0400, ChiSquare = 6.6944e-01 1.P31 HA = 4.525(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.4939e-01 1.P31 HB3 = 1.664(D), Expected = 2.05, Std = 0.3900, ChiSquare = 3.2230e-01 1.P31 HG2 = 1.965(D), Expected = 1.93, Std = 0.3600, ChiSquare = 9.2255e-01 1.P31 HG3 = 1.468(D), Expected = 1.92, Std = 0.3700, ChiSquare = 2.2185e-01 1.P31 HD2 = 3.383(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.7530e-01 1.P31 HD3 = 2.891(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.4675e-02 1.P32 HA = 4.311(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.8332e-01 1.P32 HB2 = 2.265(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.8144e-01 1.D33 CB = 42.480(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.8648e-01 1.D33 H = 7.464(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.2869e-01 1.D33 HA = 4.941(D), Expected = 4.61, Std = 0.3100, ChiSquare = 2.8564e-01 1.D33 HB2 = 2.875(D), Expected = 2.74, Std = 0.2900, ChiSquare = 6.4156e-01 1.D33 HB3 = 2.487(D), Expected = 2.70, Std = 0.2900, ChiSquare = 4.6265e-01 1.D33 N = 116.107(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.7102e-01 1.L34 CD1 = 27.524(D), Expected = 24.73, Std = 1.7100, ChiSquare = 1.0228e-01 1.L34 CD2 = 25.876(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.1840e-01 1.L34 H = 9.018(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.1956e-01 1.L34 HD11 = 0.814(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7055e-01 1.L34 HD12 = 0.814(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7055e-01 1.L34 HD13 = 0.814(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7055e-01 1.L34 HD21 = 0.818(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.3590e-01 1.L34 HD22 = 0.818(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.3590e-01 1.L34 HD23 = 0.818(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.3590e-01 1.L34 N = 125.781(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.5035e-01 1.V35 C = 177.395(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.0096e-01 1.V35 CA = 67.209(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.1980e-01 1.V35 CG2 = 22.750(D), Expected = 21.31, Std = 1.7600, ChiSquare = 4.1325e-01 1.V35 H = 8.155(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.4920e-01 1.V35 HA = 3.588(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.1562e-01 1.V35 HG11 = 1.132(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.7948e-01 1.V35 HG12 = 1.132(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.7948e-01 1.V35 HG13 = 1.132(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.7948e-01 1.V35 HG21 = 0.978(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.0981e-01 1.V35 HG22 = 0.978(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.0981e-01 1.V35 HG23 = 0.978(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.0981e-01 1.V35 N = 121.292(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.5627e-01 1.E36 CA = 58.652(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.7374e-01 1.E36 H = 8.188(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.0322e-01 1.E36 HA = 3.954(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.7670e-01 1.E36 HB2 = 2.044(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.8549e-01 1.E36 HB3 = 1.825(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.4990e-01 1.E36 N = 120.888(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.5493e-01 1.F37 CE1 = 130.601(D), Expected = 130.48, Std = 1.2900, ChiSquare = 9.2527e-01 1.F37 CE2 = 130.601(D), Expected = 130.60, Std = 0.9700, ChiSquare = 9.9918e-01 1.F37 CZ = 129.993(D), Expected = 129.11, Std = 1.6800, ChiSquare = 5.9917e-01 1.F37 H = 8.101(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.6641e-01 1.F37 HA = 4.206(D), Expected = 4.62, Std = 0.5800, ChiSquare = 4.7536e-01 1.F37 HB2 = 3.186(D), Expected = 2.99, Std = 0.3700, ChiSquare = 5.9630e-01 1.F37 HB3 = 2.760(D), Expected = 2.97, Std = 0.3800, ChiSquare = 5.8052e-01 1.F37 HD1 = 7.070(D), Expected = 6.91, Std = 0.8200, ChiSquare = 8.4530e-01 1.F37 HD2 = 7.070(D), Expected = 6.89, Std = 0.8600, ChiSquare = 8.3421e-01 1.F37 HE1 = 6.900(D), Expected = 6.95, Std = 0.8200, ChiSquare = 9.5138e-01 1.F37 HE2 = 6.900(D), Expected = 6.94, Std = 0.8600, ChiSquare = 9.6290e-01 1.F37 HZ = 7.138(D), Expected = 6.92, Std = 0.8000, ChiSquare = 7.8524e-01 1.A38 C = 178.857(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.2777e-01 1.A38 CA = 55.730(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.1219e-01 1.A38 CB = 16.333(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.6527e-01 1.A38 H = 7.827(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3416e-01 1.A38 HA = 3.649(D), Expected = 4.26, Std = 0.4200, ChiSquare = 1.4573e-01 1.A38 HB1 = 0.591(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.5995e-03 1.A38 HB2 = 0.591(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.5995e-03 1.A38 HB3 = 0.591(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.5995e-03 1.A38 N = 120.447(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.5195e-01 1.V39 C = 176.500(D), Expected = 175.69, Std = 2.0300, ChiSquare = 6.8988e-01 1.V39 CA = 68.652(D), Expected = 62.48, Std = 3.0400, ChiSquare = 4.2330e-02 1.V39 CG2 = 23.286(D), Expected = 21.31, Std = 1.7600, ChiSquare = 2.6155e-01 1.V39 H = 8.161(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.5583e-01 1.V39 HA = 3.326(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.4342e-01 1.V39 HB = 2.192(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.4046e-01 1.V39 HG11 = 0.965(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.4339e-01 1.V39 HG12 = 0.965(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.4339e-01 1.V39 HG13 = 0.965(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.4339e-01 1.V39 HG21 = 0.852(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3953e-01 1.V39 HG22 = 0.852(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3953e-01 1.V39 HG23 = 0.852(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3953e-01 1.V39 N = 117.758(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.1076e-01 1.E40 C = 177.826(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.7110e-01 1.E40 CA = 59.614(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.1643e-01 1.E40 H = 7.896(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.6669e-01 1.E40 HA = 3.835(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.2297e-01 1.E40 HB2 = 2.070(D), Expected = 2.04, Std = 0.2200, ChiSquare = 8.9153e-01 1.E40 HB3 = 1.934(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.4489e-01 1.E40 HG2 = 2.455(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.8989e-01 1.E40 N = 120.575(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.7724e-01 1.Y41 C = 177.928(D), Expected = 175.39, Std = 1.8900, ChiSquare = 1.7932e-01 1.Y41 CA = 61.936(D), Expected = 58.02, Std = 2.6400, ChiSquare = 1.3799e-01 1.Y41 H = 8.892(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.8643e-01 1.Y41 HA = 3.546(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.2903e-02 1.Y41 HB2 = 2.219(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.1823e-02 1.Y41 HB3 = 2.190(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.1661e-02 1.Y41 HD1 = 5.811(D), Expected = 6.87, Std = 0.6500, ChiSquare = 1.0326e-01 1.Y41 HD2 = 5.811(D), Expected = 6.86, Std = 0.6800, ChiSquare = 1.2292e-01 1.Y41 HE1 = 6.412(D), Expected = 6.64, Std = 0.5800, ChiSquare = 6.9424e-01 1.Y41 HE2 = 6.412(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.2081e-01 1.Y41 N = 121.002(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.6395e-01 1.F42 CA = 62.706(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.0263e-01 1.F42 CB = 38.002(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.3963e-01 1.F42 CD1 = 131.898(D), Expected = 131.38, Std = 1.3800, ChiSquare = 7.0739e-01 1.F42 CD2 = 131.898(D), Expected = 131.33, Std = 1.4800, ChiSquare = 7.0114e-01 1.F42 CE1 = 128.804(D), Expected = 130.48, Std = 1.2900, ChiSquare = 1.9387e-01 1.F42 CE2 = 128.804(D), Expected = 130.60, Std = 0.9700, ChiSquare = 6.4091e-02 1.F42 CZ = 130.371(D), Expected = 129.11, Std = 1.6800, ChiSquare = 4.5290e-01 1.F42 H = 8.726(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.7923e-01 1.F42 HA = 4.092(D), Expected = 4.62, Std = 0.5800, ChiSquare = 3.6264e-01 1.F42 HB2 = 3.145(D), Expected = 2.99, Std = 0.3700, ChiSquare = 6.7528e-01 1.F42 HB3 = 2.707(D), Expected = 2.97, Std = 0.3800, ChiSquare = 4.8887e-01 1.F42 HD1 = 7.242(D), Expected = 6.91, Std = 0.8200, ChiSquare = 6.8557e-01 1.F42 HD2 = 7.242(D), Expected = 6.89, Std = 0.8600, ChiSquare = 6.8232e-01 1.F42 HE1 = 6.520(D), Expected = 6.95, Std = 0.8200, ChiSquare = 6.0001e-01 1.F42 HE2 = 6.520(D), Expected = 6.94, Std = 0.8600, ChiSquare = 6.2529e-01 1.F42 HZ = 6.536(D), Expected = 6.92, Std = 0.8000, ChiSquare = 6.3123e-01 1.F42 N = 115.550(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.1882e-01 1.T43 C = 176.204(D), Expected = 174.60, Std = 1.8000, ChiSquare = 3.7287e-01 1.T43 H = 7.985(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.4575e-01 1.T43 HA = 4.205(D), Expected = 4.48, Std = 0.5000, ChiSquare = 5.8232e-01 1.T43 HB = 3.716(D), Expected = 4.17, Std = 0.3700, ChiSquare = 2.1981e-01 1.T43 HG21 = 1.148(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.6582e-01 1.T43 HG22 = 1.148(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.6582e-01 1.T43 HG23 = 1.148(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.6582e-01 1.T43 N = 116.860(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.1832e-01 1.R44 C = 179.186(D), Expected = 176.49, Std = 2.1600, ChiSquare = 2.1198e-01 1.R44 CA = 59.376(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.1411e-01 1.R44 H = 7.671(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.4296e-01 1.R44 HA = 3.911(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.1455e-01 1.R44 HD2 = 3.527(D), Expected = 3.13, Std = 0.2300, ChiSquare = 8.4332e-02 1.R44 HD3 = 3.053(D), Expected = 3.13, Std = 0.2200, ChiSquare = 7.2634e-01 1.R44 N = 121.751(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.6986e-01 1.L45 CA = 57.698(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.5408e-01 1.L45 H = 7.325(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.6854e-01 1.L45 HA = 3.889(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.5913e-01 1.L45 HB2 = 1.539(D), Expected = 1.63, Std = 0.3400, ChiSquare = 7.8897e-01 1.L45 HB3 = 1.517(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.8296e-01 1.L45 HG = 1.378(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.2349e-01 1.L45 HD11 = 0.730(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8223e-01 1.L45 HD12 = 0.730(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8223e-01 1.L45 HD13 = 0.730(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8223e-01 1.L45 HD21 = 0.731(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.1751e-01 1.L45 HD22 = 0.731(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.1751e-01 1.L45 HD23 = 0.731(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.1751e-01 1.L45 N = 119.235(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.0003e-01 1.R46 H = 7.891(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.6079e-01 1.R46 HA = 3.871(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6450e-01 1.R46 HE = 7.512(D), Expected = 7.32, Std = 0.5200, ChiSquare = 7.1196e-01 1.R46 N = 119.677(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.1093e-01 1.R46 NE = 84.115(D), Expected = 89.80, Std = 12.8300, ChiSquare = 6.5769e-01 1.E47 H = 7.949(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.2153e-01 1.E47 N = 117.564(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.9714e-01 1.R49 HG2 = 1.762(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.0026e-01 1.R49 HG3 = 1.746(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.3868e-01 1.R49 HE = 7.394(D), Expected = 7.32, Std = 0.5200, ChiSquare = 8.8684e-01 1.R49 NE = 84.464(D), Expected = 89.80, Std = 12.8300, ChiSquare = 6.7748e-01 1.A50 HB1 = 1.332(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.4774e-01 1.A50 HB2 = 1.332(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.4774e-01 1.A50 HB3 = 1.332(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.4774e-01