Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.93 M 0.05 C Shift Assignments>> CA :: 51.840 CB :: 19.600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.067 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.135 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.982 HA3 :: 3.982 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.H3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.2 H 0.2 E 0.16 M 0.15 Q 0.13 K 0.12 V 0.01 C Shift Assignments>> C :: 175.379(D) CA :: 56.307(D) CB :: 30.978(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.473 HA :: 4.648(D) HB2 :: 3.086(D) HB3 :: 3.123(D) HD2 :: 7.002 HE1 :: 7.786 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.620 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.78 A 0.21 C Shift Assignments>> C :: 175.816(D) CA :: 55.377(D) CB :: 32.961(D) CG :: 31.856 CE :: 16.942 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.393(D) HA :: 4.464(D) HB2 :: 1.986(D) HB3 :: 2.059(D) HG2 :: 2.447 HG3 :: 2.519 HE1 :: 2.083 HE2 :: 2.083 HE3 :: 2.083 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.987(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.84 E 0.15 C Shift Assignments>> C :: 175.809(D) CA :: 55.852(D) CB :: 29.508(D) CG :: 33.611(D) CD :: 180.399 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.518(D) HA :: 4.390(D) HB2 :: 1.997(D) HB3 :: 2.083(D) HG2 :: 2.310 HG3 :: 2.310 HE21 :: 6.875(D) HE22 :: 7.498(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.534(D) NE2 :: 112.270(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.984(D) CA :: 61.740(D) CB :: 69.765(D) CG2 :: 21.615 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.213(D) HA :: 4.307(D) HB :: 4.174(D) HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.975(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.919(D) CA :: 57.955(D) CB :: 64.096(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.079(D) HA :: 4.469(D) HB2 :: 3.764(D) HB3 :: 3.764(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.179(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 L 0.19 F 0.17 Y 0.13 R 0.1 D 0.09 I 0.02 C Shift Assignments>> C :: 174.477(D) CA :: 57.398(D) CB :: 41.922(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.617(D) HA :: 4.759 HB2 :: 2.173 HB3 :: 2.846 HD1 :: 6.888 HD2 :: 6.888 HE1 :: 7.028 HE2 :: 7.028 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.651(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.85 A 0.07 R 0.04 G 0.02 C Shift Assignments>> C :: 175.717(D) CA :: 54.071(D) CB :: 35.234(D) CG :: 23.608 CD :: 28.913 CE :: 41.960 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.090(D) HA :: 4.714(D) HB2 :: 1.823(D) HB3 :: 1.865(D) HG2 :: 1.370 HG3 :: 1.573 HD2 :: 1.716 HD3 :: 1.716 HE2 :: 3.071 HE3 :: 3.071 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.327(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.699 CA :: 65.409(D) CB :: 68.545(D) CG2 :: 22.103 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.353(D) HA :: 3.658(D) HB :: 3.996 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.728(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.19 R 0.06 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.855(D) CA :: 44.771(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.398(D) HA2 :: 3.878(D) HA3 :: 4.507(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.215(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.23 K 0.2 F 0.11 Y 0.07 R 0.06 N 0.03 C Shift Assignments>> C :: 175.345(D) CA :: 55.283(D) CB :: 41.723(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.252(D) HA :: 4.687 HB2 :: 2.851 HB3 :: 2.962 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.005(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.66 R 0.32 G 0.01 C Shift Assignments>> C :: 175.681(D) CA :: 54.568(D) CB :: 34.903(D) CG :: 25.854 CD :: 28.919 CE :: 42.041 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.509(D) HA :: 5.435(D) HB2 :: 1.651 HB3 :: 1.802 HG2 :: 1.394 HG3 :: 1.630 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.952 HE3 :: 2.991 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.600(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 A 0.26 K 0.07 P 0.01 C Shift Assignments>> C :: 175.135(D) CA :: 50.927(D) CB :: 23.331(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.748(D) HA :: 4.784(D) HB1 :: 0.820(D) HB2 :: 0.820(D) HB3 :: 0.820(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.074(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.714(D) CA :: 61.670(D) CB :: 33.602 CG1 :: 20.807 CG2 :: 21.920 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.972(D) HA :: 4.239 HB :: 1.862 HG11 :: 0.766 HG12 :: 0.766 HG13 :: 0.766 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.565(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> CA :: 53.934(D) CB :: 39.930 CD1 :: 132.404 CE1 :: 118.446 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.564(D) HA :: 4.918 HB2 :: 2.398 HB3 :: 3.060 HD1 :: 6.775 HD2 :: 6.775 HE1 :: 6.773 HE2 :: 6.773 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 130.232(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.600 CB :: 31.756 CG :: 27.772 CD :: 51.378 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.180 HB2 :: 1.863 HB3 :: 2.223 HG2 :: 1.845 HG3 :: 2.033 HD2 :: 2.824 HD3 :: 3.791 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.377(D) CA :: 45.399(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.963(D) HA2 :: 3.685(D) HA3 :: 4.339 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.092(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 R 0.21 M 0.15 E 0.15 Q 0.14 K 0.1 C Shift Assignments>> C :: 175.578(D) CA :: 55.438(D) CB :: 30.833 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.241(D) HA :: 4.417 HB2 :: 1.948 HB3 :: 2.036 HG2 :: 2.260 HG3 :: 2.260 HE21 :: 6.584(D) HE22 :: 7.333(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.878(D) NE2 :: 110.378(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.41 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.782(D) CA :: 44.286(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.227(D) HA2 :: 3.808 HA3 :: 4.564 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.722(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.407(D) CA :: 63.538(D) CB :: 32.467 CG1 :: 21.702 CG2 :: 22.300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.308(D) HA :: 4.243(D) HB :: 2.009 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 1.046 HG22 :: 1.046 HG23 :: 1.046 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.734(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.63 L 0.21 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.290(D) CA :: 44.679(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.456(D) HA2 :: 3.278 HA3 :: 5.310(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.030(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.73 E 0.24 Q 0.01 C Shift Assignments>> C :: 176.127 CA :: 53.414(D) CB :: 33.686(D) CG :: 36.471 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.773(D) HA :: 5.139(D) HB2 :: 1.835 HB3 :: 1.935 HG2 :: 2.068 HG3 :: 2.116 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.135(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.553(D) CA :: 63.381(D) CB :: 30.750 CG1 :: 20.907 CG2 :: 21.306 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.240(D) HA :: 4.100 HB :: 2.319 HG11 :: 0.457 HG12 :: 0.457 HG13 :: 0.457 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.888(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.83 A 0.16 C Shift Assignments>> C :: 176.588(D) CA :: 54.684(D) CB :: 31.244 CG :: 31.840 CE :: 15.757 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.609(D) HA :: 4.771 HB2 :: 1.803 HB3 :: 2.266 HG2 :: 2.525 HG3 :: 2.525 HE1 :: 2.032 HE2 :: 2.032 HE3 :: 2.032 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 128.536(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.46 L 0.27 R 0.16 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 170.481(D) CA :: 44.370(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.407(D) HA2 :: 3.989(D) HA3 :: 4.378(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.637(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.707(D) CA :: 59.838(D) CB :: 40.656(D) CG1 :: 28.667 CG2 :: 17.497 CD1 :: 13.747 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.171(D) HA :: 4.994(D) HB :: 1.510 HG12 :: 0.778 HG13 :: 1.491 HG21 :: 0.441 HG22 :: 0.441 HG23 :: 0.441 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.028(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 E 0.26 Q 0.02 C Shift Assignments>> C :: 174.365(D) CA :: 54.143(D) CB :: 33.545 CG :: 36.118 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.915(D) HA :: 4.533 HB2 :: 1.828 HB3 :: 1.828 HG2 :: 2.048 HG3 :: 2.048 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.001(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 K 0.21 Q 0.19 R 0.11 H 0.11 E 0.04 C Shift Assignments>> C :: 175.808(D) CA :: 54.686(D) CB :: 32.923 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.637(D) HA :: 5.625 HB2 :: 2.926 HB3 :: 2.926 HD2 :: 6.973 HE1 :: 7.559 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.642(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.084(D) CA :: 60.321(D) CB :: 71.149(D) CG2 :: 20.994 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.105(D) HA :: 4.785 HB :: 4.222 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.444(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.55 M 0.39 Q 0.03 HN Overlap>> 1.E69 1.E69 C Shift Assignments>> C :: 175.552(D) CA :: 55.753(D) CB :: 31.733(D) CG :: 36.538 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.596(D) HA :: 4.981(D) HB2 :: 1.876(D) HB3 :: 1.918(D) HG2 :: 1.965 HG3 :: 2.044 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.459(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.206(D) CA :: 61.837(D) CB :: 34.410(D) CG1 :: 20.582 CG2 :: 21.800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.629(D) HA :: 4.208 HB :: 2.017 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.550(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.62 M 0.36 C Shift Assignments>> C :: 177.477(D) CA :: 52.866(D) CB :: 17.147(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.263(D) HA :: 4.077 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.046(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.933(D) CA :: 45.396(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.634(D) HA2 :: 3.677(D) HA3 :: 4.151(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.050(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.88 E 0.1 C Shift Assignments>> C :: 174.833(D) CA :: 53.940(D) CB :: 30.846(D) CG :: 33.526(D) CD :: 180.577 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.922(D) HA :: 4.657 HB2 :: 2.022 HB3 :: 2.149 HG2 :: 2.314 HG3 :: 2.358 HE21 :: 6.876(D) HE22 :: 7.568(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.599(D) NE2 :: 112.349(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.89 G 0.1 HN Overlap>> 1.Q37 1.Q37 C Shift Assignments>> C :: 176.000(D) CA :: 56.455(D) CB :: 30.873(D) CG :: 27.590(D) CD :: 43.224(D) CZ :: 159.361 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.774(D) HA :: 4.789 HB2 :: 1.782 HB3 :: 1.782 HG2 :: 1.532 HG3 :: 1.615 HD2 :: 3.023 HD3 :: 3.023 HE :: 7.199 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.062(D) NE :: 84.206 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.86 E 0.12 HN Overlap>> 1.R36 1.R36 C Shift Assignments>> C :: 174.558(D) CA :: 54.856(D) CB :: 32.000 CG :: 33.774 CD :: 180.060 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.882(D) HA :: 4.640 HB2 :: 1.951 HB3 :: 1.951 HG2 :: 2.078 HG3 :: 2.197 HE21 :: 6.843(D) HE22 :: 7.323(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.046(D) NE2 :: 111.562(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.586(D) CA :: 58.045(D) CB :: 64.438(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.282(D) HA :: 5.511 HB2 :: 3.355 HB3 :: 3.600 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.183(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.31 L 0.27 K 0.12 F 0.09 D 0.09 Y 0.06 G 0.02 C Shift Assignments>> C :: 175.953(D) CA :: 56.509(D) CB :: 43.021 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.150(D) HA :: 5.057 HB2 :: 2.487 HB3 :: 2.716 HD1 :: 6.818 HD2 :: 6.818 HE1 :: 7.242 HE2 :: 7.242 HZ :: 7.197 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.625(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.598(D) CB :: 40.424 CD1 :: 132.534 CE1 :: 119.618 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.266(D) HA :: 4.952 HB2 :: 2.740 HB3 :: 2.795 HD1 :: 6.912 HD2 :: 6.912 HE1 :: 7.019 HE2 :: 7.019 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.810(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 61.881 CB :: 32.072 CG1 :: 21.009 CG2 :: 21.061 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.480(D) HA :: 4.500 HB :: 1.859 HG11 :: 0.711 HG12 :: 0.711 HG13 :: 0.711 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.463(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.11 A 0.01 C Shift Assignments>> C :: 174.421 CA :: 52.829 CB :: 46.057 CG :: 27.953 CD1 :: 24.737 CD2 :: 27.068 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.270 HA :: 4.969 HB2 :: 1.008 HB3 :: 1.745 HG :: 1.173 HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.R43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.8 G 0.19 C Shift Assignments>> C :: 175.843 CA :: 53.795(D) CB :: 32.948 CG :: 27.466 CD :: 43.463(D) CZ :: 159.420 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.035(D) HA :: 5.097(D) HB2 :: 1.467 HB3 :: 2.071 HG2 :: 1.255 HG3 :: 1.325 HD2 :: 3.117 HD3 :: 3.320 HE :: 7.156 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.811(D) NE :: 83.222 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.58 A 0.28 V 0.06 M 0.06 C Shift Assignments>> C :: 177.891(D) CA :: 59.243(D) CB :: 34.763 CG1 :: 26.161 CG2 :: 18.610 CD1 :: 8.761 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.343(D) HA :: 4.219 HB :: 2.597 HG12 :: 1.280 HG13 :: 1.535 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 HD11 :: 0.462 HD12 :: 0.462 HD13 :: 0.462 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.931(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 180.548 CA :: 58.558(D) CB :: 40.948(D) CG :: 28.003 CD1 :: 22.987 CD2 :: 25.432 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.523(D) HA :: 3.994 HB2 :: 1.570 HB3 :: 1.773 HG :: 1.737 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.466(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.5 Q 0.16 K 0.13 M 0.11 I 0.08 C Shift Assignments>> C :: 176.639(D) CA :: 59.271(D) CB :: 30.280(D) CG :: 35.390 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.816(D) HA :: 4.051 HB2 :: 1.901 HB3 :: 2.125 HG2 :: 2.275 HG3 :: 2.275 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.734(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.3 L 0.09 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.748(D) CA :: 51.974(D) CB :: 39.906(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.675(D) HA :: 4.923 HB2 :: 2.753 HB3 :: 3.136 HD21 :: 6.791(D) HD22 :: 7.456(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 109.195(D) ND2 :: 110.326(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.202(D) CA :: 46.205(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.280(D) HA2 :: 3.699 HA3 :: 4.111 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.095(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.91 A 0.08 C Shift Assignments>> C :: 174.714(D) CA :: 56.792(D) CB :: 31.635 CG :: 31.773 CE :: 16.864 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.130(D) HA :: 4.137 HB2 :: 1.964 HB3 :: 1.964 HG2 :: 2.311 HG3 :: 2.364 HE1 :: 1.984 HE2 :: 1.984 HE3 :: 1.984 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.539(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.64 K 0.2 G 0.14 C Shift Assignments>> CA :: 54.547 CB :: 32.005 CG :: 28.131 CD :: 43.479 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.389(D) HA :: 5.163 HB2 :: 1.467 HB3 :: 1.678 HG2 :: 1.234 HG3 :: 1.234 HD2 :: 3.075 HD3 :: 3.075 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.746(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.175 CB :: 40.958 CG1 :: 27.227 CG2 :: 17.447 CD1 :: 13.201 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.152(D) HA :: 4.307 HB :: 1.481 HG12 :: 1.206 HG13 :: 0.800 HG21 :: 0.611 HG22 :: 0.611 HG23 :: 0.611 HD11 :: 0.278 HD12 :: 0.278 HD13 :: 0.278 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.075(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.28 C Shift Assignments>> C :: 175.973(D) CA :: 53.867(D) CB :: 33.219 CG :: 32.148 CE :: 16.421 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.073(D) HA :: 5.245 HB2 :: 1.449 HB3 :: 1.758 HG2 :: 2.129 HG3 :: 2.259 HE1 :: 1.428 HE2 :: 1.428 HE3 :: 1.428 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.960(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.87 A 0.1 G 0.02 C Shift Assignments>> CA :: 57.975(D) CB :: 41.758 CG1 :: 27.783 CG2 :: 17.636 CD1 :: 15.626 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.402(D) HA :: 4.878 HB :: 2.013 HG12 :: 1.194 HG13 :: 1.592 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.522(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.209(D) CA :: 63.361(D) CB :: 32.344 CG :: 28.090 CD :: 51.492 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.275 HB2 :: 1.848 HB3 :: 2.276 HG2 :: 2.120 HG3 :: 2.255 HD2 :: 3.806 HD3 :: 4.220 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 64.564(D) CB :: 37.909 CG1 :: 27.486 CG2 :: 16.930 CD1 :: 13.626 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.829(D) HA :: 3.893 HB :: 1.535 HG12 :: 0.644 HG13 :: 1.226 HG21 :: 0.579 HG22 :: 0.579 HG23 :: 0.579 HD11 :: 0.491 HD12 :: 0.491 HD13 :: 0.491 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.681(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.86 D 0.13 C Shift Assignments>> CA :: 53.387 CB :: 37.719 CG :: 177.173 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.797 HB2 :: 2.891 HB3 :: 2.981 HD21 :: 6.909(D) HD22 :: 7.639(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.148(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.91 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 176.819 CA :: 55.780 CB :: 35.718 CG :: 23.835 CD :: 29.095 CE :: 41.935 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.938 HB2 :: 1.872 HB3 :: 1.872 HG2 :: 1.417 HG3 :: 1.417 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 3.011 HE3 :: 3.011 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.845 CA :: 64.775 CB :: 32.239 CG1 :: 21.629 CG2 :: 21.349 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.625 HA :: 3.882 HB :: 2.210 HG11 :: 1.100 HG12 :: 1.100 HG13 :: 1.100 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.252 Ave N Shift Values>> N :: 121.14(4.54) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 175.285(D) CA :: 45.877(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.726(D) HA2 :: 4.024 HA3 :: 4.024 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.724(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.355(D) CB :: 63.806 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.021(D) HA :: 4.524 HB2 :: 3.962 HB3 :: 3.962 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.858(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.845 CA :: 62.825 CB :: 32.241 CG1 :: 21.174 CG2 :: 20.802 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.911 HA :: 4.170 HB :: 2.209 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.248 Ave N Shift Values>> N :: 121.14(4.54) 1.G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.250 CA :: 45.600(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.700(D) HA2 :: 3.706 HA3 :: 4.128 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.071(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.83 R 0.08 G 0.07 C Shift Assignments>> CA :: 55.397(D) CB :: 43.030 CG :: 26.767 CD1 :: 24.619 CD2 :: 25.209 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.755(D) HA :: 4.496 HB2 :: 1.310 HB3 :: 1.441 HG :: 1.398 HD11 :: 0.491 HD12 :: 0.491 HD13 :: 0.491 HD21 :: 0.542 HD22 :: 0.542 HD23 :: 0.542 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.789(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.84 G 0.15 C Shift Assignments>> C :: 175.253(D) CA :: 54.665(D) CB :: 33.017(D) CG :: 26.881(D) CD :: 43.378(D) CZ :: 159.490 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.334 HA :: 4.849 HB2 :: 1.743 HB3 :: 1.914 HG2 :: 1.681 HG3 :: 1.681 HD2 :: 3.209 HD3 :: 3.209 HE :: 7.322 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> NE :: 84.624 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.59 M 0.21 Q 0.09 K 0.06 I 0.03 C Shift Assignments>> C :: 176.881(D) CA :: 56.744(D) CB :: 30.643(D) CG :: 36.168 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.968(D) HA :: 4.518(D) HB2 :: 2.054 HB3 :: 2.110(D) HG2 :: 2.326 HG3 :: 2.326 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.611(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.806(D) CA :: 61.020(D) CB :: 38.821(D) CG1 :: 27.549 CG2 :: 17.489 CD1 :: 13.449 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.343(D) HA :: 4.195(D) HB :: 1.794(D) HG12 :: 1.146 HG13 :: 1.466 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.763(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.067(D) CA :: 60.793(D) CB :: 38.768(D) CG1 :: 27.141 CG2 :: 17.544 CD1 :: 12.707 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.366(D) HA :: 4.297(D) HB :: 1.885(D) HG12 :: 1.193 HG13 :: 1.476 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.903(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.472(D) CA :: 58.060(D) CB :: 63.973(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.482(D) HA :: 4.519(D) HB2 :: 3.860(D) HB3 :: 3.860(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.578(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.61 M 0.2 Q 0.08 K 0.06 I 0.03 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 176.227(D) CA :: 56.708(D) CB :: 30.589(D) CG :: 36.259 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.613(D) HA :: 4.348(D) HB2 :: 1.937(D) HB3 :: 2.120(D) HG2 :: 2.276 HG3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.469(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.6 M 0.22 Q 0.08 K 0.06 I 0.02 C Shift Assignments>> C :: 175.368 CA :: 56.387(D) CB :: 30.671(D) CG :: 36.259 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.328(D) HA :: 4.347(D) HB2 :: 1.893(D) HB3 :: 2.105(D) HG2 :: 2.259 HG3 :: 2.259 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.351(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.22 D 0.14 R 0.14 F 0.11 Y 0.07 N 0.01 C Shift Assignments>> CA :: 56.082(D) CB :: 42.232(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.964(D) HA :: 4.378(D) HB2 :: 2.564(D) HB3 :: 2.668 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.978(D) Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 7 #Clerical: 63 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 71 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 71 #Suspicious: 0 C Shift Results: #Consistent: 141 #Duplicate: 145 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 375 #Duplicate: 126 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 6 #Duplicate: 66 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.H3 C = 175.379(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.4779e-01 1.H3 CA = 56.307(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.2653e-01 1.H3 CB = 30.978(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.2145e-01 1.H3 HA = 4.648(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.2958e-01 1.H3 HB2 = 3.086(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.6898e-01 1.H3 HB3 = 3.123(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.2710e-01 1.M4 C = 175.816(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.6174e-01 1.M4 CA = 55.377(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.4238e-01 1.M4 CB = 32.961(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.8967e-01 1.M4 H = 8.393(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.2457e-01 1.M4 HA = 4.464(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.1043e-01 1.M4 HB2 = 1.986(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.9703e-01 1.M4 HB3 = 2.059(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.3918e-01 1.M4 N = 121.987(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.9516e-01 1.Q5 C = 175.809(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.9724e-01 1.Q5 CA = 55.852(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3724e-01 1.Q5 CB = 29.508(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6130e-01 1.Q5 CG = 33.611(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.9322e-01 1.Q5 H = 8.518(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1350e-01 1.Q5 HA = 4.390(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8506e-01 1.Q5 HB2 = 1.997(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.3211e-01 1.Q5 HB3 = 2.083(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.2198e-01 1.Q5 HE21 = 6.875(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.1730e-01 1.Q5 HE22 = 7.498(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.7732e-01 1.Q5 N = 122.534(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.6268e-01 1.Q5 NE2 = 112.270(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.1610e-01 1.T6 C = 173.984(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.5207e-01 1.T6 CA = 61.740(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5297e-01 1.T6 CB = 69.765(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.8287e-01 1.T6 H = 8.213(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6526e-01 1.T6 HA = 4.307(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.4992e-01 1.T6 HB = 4.174(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.9033e-01 1.T6 N = 115.975(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.0699e-01 1.S7 C = 172.919(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.2269e-01 1.S7 CA = 57.955(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.1171e-01 1.S7 CB = 64.096(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4148e-01 1.S7 H = 8.079(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3335e-01 1.S7 HA = 4.469(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.7806e-01 1.S7 HB2 = 3.764(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.4265e-01 1.S7 HB3 = 3.764(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.5009e-01 1.S7 N = 118.179(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8955e-01 1.F8 C = 174.477(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.3559e-01 1.F8 CA = 57.398(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.9072e-01 1.F8 CB = 41.922(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.5528e-01 1.F8 H = 7.617(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.0210e-01 1.F8 N = 119.651(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.4841e-01 1.K9 C = 175.717(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.4444e-01 1.K9 CA = 54.071(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9066e-01 1.K9 CB = 35.234(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.6974e-01 1.K9 H = 9.090(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3361e-01 1.K9 HA = 4.714(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.1293e-01 1.K9 HB2 = 1.823(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.6344e-01 1.K9 HB3 = 1.865(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.4339e-01 1.K9 N = 121.327(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4143e-01 1.T10 CA = 65.409(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.1822e-01 1.T10 CB = 68.545(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.6723e-01 1.T10 H = 8.353(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5538e-01 1.T10 HA = 3.658(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.4755e-02 1.T10 N = 116.728(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8303e-01 1.G11 C = 174.855(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.0032e-01 1.G11 CA = 44.771(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6568e-01 1.G11 H = 9.398(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0037e-01 1.G11 HA2 = 3.878(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0363e-01 1.G11 HA3 = 4.507(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.0089e-01 1.G11 N = 117.215(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.1222e-02 1.D12 C = 175.345(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.4660e-01 1.D12 CA = 55.283(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7020e-01 1.D12 CB = 41.723(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.0281e-01 1.D12 H = 8.252(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2034e-01 1.D12 N = 122.005(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2556e-01 1.K13 C = 175.681(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.3158e-01 1.K13 CA = 54.568(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7893e-01 1.K13 CB = 34.903(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.3520e-01 1.K13 H = 8.509(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9496e-01 1.K13 HA = 5.435(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.1035e-03 1.K13 N = 118.600(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1578e-01 1.A14 C = 175.135(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.2133e-01 1.A14 CA = 50.927(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6371e-01 1.A14 CB = 23.331(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8216e-02 1.A14 H = 8.748(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6107e-01 1.A14 HA = 4.784(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.3369e-01 1.A14 HB1 = 0.820(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.1504e-02 1.A14 HB2 = 0.820(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.1504e-02 1.A14 HB3 = 0.820(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.1504e-02 1.A14 N = 122.074(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4401e-01 1.V15 C = 174.714(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.3347e-01 1.V15 CA = 61.670(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7433e-01 1.V15 H = 8.972(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.0872e-01 1.V15 N = 119.565(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2865e-01 1.Y16 CA = 53.934(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.4581e-02 1.Y16 H = 8.564(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.3819e-01 1.Y16 N = 130.232(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.0757e-02 1.G18 C = 174.377(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8741e-01 1.G18 CA = 45.399(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7083e-01 1.G18 H = 7.963(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7234e-01 1.G18 HA2 = 3.685(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.4114e-01 1.G18 N = 109.092(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8127e-01 1.Q19 C = 175.578(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.0737e-01 1.Q19 CA = 55.438(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.9682e-01 1.Q19 H = 8.241(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7161e-01 1.Q19 HE21 = 6.584(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.4490e-01 1.Q19 HE22 = 7.333(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.7686e-01 1.Q19 N = 116.878(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.0278e-01 1.Q19 NE2 = 110.378(D), Expected = 111.87, Std = 1.7200, ChiSquare = 3.8570e-01 1.G20 C = 172.782(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6278e-01 1.G20 CA = 44.286(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.2718e-01 1.G20 H = 8.227(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7409e-01 1.G20 N = 106.722(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4621e-01 1.V21 C = 176.407(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.7872e-01 1.V21 CA = 63.538(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1404e-01 1.V21 H = 8.308(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.7857e-01 1.V21 HA = 4.243(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.2719e-01 1.V21 N = 119.734(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5680e-01 1.G22 C = 170.290(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6877e-02 1.G22 CA = 44.679(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.1655e-01 1.G22 H = 9.456(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3219e-02 1.G22 HA3 = 5.310(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.3851e-04 1.G22 N = 115.030(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6605e-01 1.E23 CA = 53.414(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1637e-02 1.E23 CB = 33.686(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.2581e-02 1.E23 H = 8.773(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.5274e-01 1.E23 HA = 5.139(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.0136e-02 1.E23 N = 119.135(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5915e-01 1.V24 C = 176.553(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.2339e-01 1.V24 CA = 63.381(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.5539e-01 1.V24 H = 9.240(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.5622e-01 1.V24 N = 126.888(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0548e-01 1.M25 C = 176.588(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.4522e-01 1.M25 CA = 54.684(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.2252e-01 1.M25 H = 9.609(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.4555e-02 1.M25 N = 128.536(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.7990e-02 1.G26 C = 170.481(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.1442e-02 1.G26 CA = 44.370(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6457e-01 1.G26 H = 7.407(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.5561e-01 1.G26 HA2 = 3.989(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5905e-01 1.G26 HA3 = 4.378(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.9639e-01 1.G26 N = 105.637(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9736e-01 1.I27 C = 175.707(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4063e-01 1.I27 CA = 59.838(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.0849e-01 1.I27 CB = 40.656(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.1588e-01 1.I27 H = 8.171(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7265e-01 1.I27 HA = 4.994(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.4606e-01 1.I27 N = 120.028(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3794e-01 1.E28 C = 174.365(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.9893e-01 1.E28 CA = 54.143(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2849e-01 1.E28 H = 8.915(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2143e-01 1.E28 N = 127.001(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8873e-02 1.H29 C = 175.808(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.7699e-01 1.H29 CA = 54.686(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.2723e-01 1.H29 H = 8.637(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.5934e-01 1.H29 N = 121.642(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.2555e-01 1.T30 C = 173.084(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.0808e-01 1.T30 CA = 60.321(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.6343e-01 1.T30 CB = 71.149(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.8400e-01 1.T30 H = 9.105(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.6297e-01 1.T30 N = 116.444(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2932e-01 1.E31 C = 175.552(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.9911e-01 1.E31 CA = 55.753(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5340e-01 1.E31 CB = 31.733(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.1647e-01 1.E31 H = 8.596(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5210e-01 1.E31 HA = 4.981(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.4598e-02 1.E31 HB2 = 1.876(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.9289e-01 1.E31 HB3 = 1.918(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.5425e-01 1.E31 N = 123.459(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2288e-01 1.V32 C = 174.206(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.5675e-01 1.V32 CA = 61.837(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.1940e-01 1.V32 CB = 34.410(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4796e-01 1.V32 H = 8.629(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.1288e-01 1.V32 N = 125.550(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3137e-01 1.A33 C = 177.477(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0173e-01 1.A33 CA = 52.866(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8994e-01 1.A33 CB = 17.147(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.0866e-01 1.A33 H = 9.263(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6450e-02 1.A33 N = 131.046(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7251e-02 1.G34 C = 173.933(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7327e-01 1.G34 CA = 45.396(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7262e-01 1.G34 H = 8.634(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4000e-01 1.G34 HA2 = 3.677(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.2842e-01 1.G34 HA3 = 4.151(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.9753e-01 1.G34 N = 104.050(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4645e-01 1.Q35 C = 174.833(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.4879e-01 1.Q35 CA = 53.940(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1908e-01 1.Q35 CB = 30.846(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.6288e-01 1.Q35 CG = 33.526(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.3303e-01 1.Q35 H = 7.922(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1350e-01 1.Q35 HE21 = 6.876(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.1858e-01 1.Q35 HE22 = 7.568(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.1296e-01 1.Q35 N = 119.599(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3557e-01 1.Q35 NE2 = 112.349(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.8064e-01 1.R36 C = 176.000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.3994e-01 1.R36 CA = 56.455(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.9153e-01 1.R36 CB = 30.873(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.2468e-01 1.R36 CG = 27.590(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.5150e-01 1.R36 CD = 43.224(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4202e-01 1.R36 H = 8.774(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8135e-01 1.R36 N = 126.062(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.5275e-01 1.Q37 C = 174.558(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.6894e-01 1.Q37 CA = 54.856(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.2317e-01 1.Q37 H = 8.882(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.6185e-01 1.Q37 HE21 = 6.843(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.7766e-01 1.Q37 HE22 = 7.323(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.9105e-01 1.Q37 N = 126.046(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7266e-02 1.Q37 NE2 = 111.562(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.5788e-01 1.S38 C = 173.586(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.4773e-01 1.S38 CA = 58.045(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4436e-01 1.S38 CB = 64.438(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.6641e-01 1.S38 H = 8.282(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.9730e-01 1.S38 N = 118.183(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8877e-01 1.F39 C = 175.953(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.8882e-01 1.F39 CA = 56.509(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.4101e-01 1.F39 H = 9.150(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.7254e-01 1.F39 N = 121.625(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.7863e-01 1.Y40 CA = 58.598(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.5209e-01 1.Y40 H = 9.266(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.9501e-01 1.Y40 N = 119.810(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6576e-01 1.V41 H = 8.480(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.7673e-01 1.V41 N = 117.463(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1799e-01 1.R43 CA = 53.795(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.9779e-01 1.R43 CD = 43.463(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.3061e-01 1.R43 H = 9.035(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.9248e-01 1.R43 HA = 5.097(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.3165e-02 1.R43 N = 126.811(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.0238e-01 1.I44 C = 177.891(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.8777e-01 1.I44 CA = 59.243(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.7712e-01 1.I44 H = 9.343(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.1800e-01 1.I44 N = 129.931(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.7793e-02 1.L45 CA = 58.558(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.6779e-01 1.L45 CB = 40.948(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.6878e-01 1.L45 H = 8.523(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5216e-01 1.L45 N = 128.466(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0295e-02 1.E46 C = 176.639(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.0570e-01 1.E46 CA = 59.271(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5057e-01 1.E46 CB = 30.280(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7526e-01 1.E46 H = 8.816(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1009e-01 1.E46 N = 116.734(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5804e-01 1.N47 C = 176.748(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.0898e-01 1.N47 CA = 51.974(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.0486e-01 1.N47 CB = 39.906(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.7182e-01 1.N47 H = 6.675(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.2210e-03 1.N47 HD21 = 6.791(D), Expected = 7.35, Std = 0.4800, ChiSquare = 2.4419e-01 1.N47 HD22 = 7.456(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.1899e-01 1.N47 N = 109.195(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.5708e-02 1.N47 ND2 = 110.326(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.7704e-01 1.G48 C = 174.202(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5983e-01 1.G48 CA = 46.205(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.2343e-01 1.G48 H = 8.280(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3868e-01 1.G48 N = 110.095(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1255e-01 1.M49 C = 174.714(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.8303e-01 1.M49 CA = 56.792(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.5973e-01 1.M49 H = 8.130(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.2847e-01 1.M49 N = 121.539(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.8483e-01 1.R50 H = 8.389(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.0703e-01 1.R50 N = 123.746(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2340e-01 1.I51 H = 9.152(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9972e-01 1.I51 N = 125.075(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.9832e-01 1.M52 C = 175.973(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.2110e-01 1.M52 CA = 53.867(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.1450e-01 1.M52 H = 8.073(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.5529e-01 1.M52 N = 118.960(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.5160e-01 1.I53 CA = 57.975(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7499e-01 1.I53 H = 9.402(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8943e-02 1.I53 N = 125.522(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4259e-01 1.P54 C = 178.209(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.3393e-01 1.P54 CA = 63.361(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.8373e-01 1.I55 CA = 64.564(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.7036e-01 1.I55 H = 7.829(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.0718e-01 1.I55 N = 121.681(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5882e-01 1.N56 HD21 = 6.909(D), Expected = 7.35, Std = 0.4800, ChiSquare = 3.5823e-01 1.N56 HD22 = 7.639(D), Expected = 7.14, Std = 0.4900, ChiSquare = 3.0850e-01 1.N56 ND2 = 112.148(D), Expected = 112.75, Std = 2.2300, ChiSquare = 7.8719e-01 1.G59 C = 175.285(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.5165e-01 1.G59 CA = 45.877(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9411e-01 1.G59 H = 8.726(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4237e-01 1.G59 N = 109.724(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8887e-01 1.S60 CA = 59.355(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.5902e-01 1.S60 H = 8.021(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.6067e-01 1.S60 N = 115.858(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0457e-01 1.G62 CA = 45.600(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G62 H = 8.700(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.6920e-01 1.G62 N = 113.071(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7950e-01 1.L63 CA = 55.397(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1662e-01 1.L63 H = 7.755(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6492e-01 1.L63 N = 119.789(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9540e-01 1.R64 C = 175.253(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.6871e-01 1.R64 CA = 54.665(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.6216e-01 1.R64 CB = 33.017(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.0547e-01 1.R64 CG = 26.881(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8396e-01 1.R64 CD = 43.378(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.0435e-01 1.E65 C = 176.881(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9550e-01 1.E65 CA = 56.744(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8286e-01 1.E65 CB = 30.643(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.1286e-01 1.E65 H = 8.968(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7954e-01 1.E65 HA = 4.518(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.1333e-01 1.E65 HB3 = 2.110(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.0185e-01 1.E65 N = 122.611(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7701e-01 1.I66 C = 175.806(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.8172e-01 1.I66 CA = 61.020(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.2575e-01 1.I66 CB = 38.821(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.2467e-01 1.I66 H = 8.343(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2618e-01 1.I66 HA = 4.195(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.7863e-01 1.I66 HB = 1.794(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.6150e-01 1.I66 N = 121.763(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4356e-01 1.I67 C = 176.067(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1001e-01 1.I67 CA = 60.793(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.6048e-01 1.I67 CB = 38.768(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4553e-01 1.I67 H = 8.366(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.9936e-01 1.I67 HA = 4.297(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.3450e-01 1.I67 HB = 1.885(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.1730e-01 1.I67 N = 125.903(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9923e-01 1.S68 C = 174.472(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.3143e-01 1.S68 CA = 58.060(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4985e-01 1.S68 CB = 63.973(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.0695e-01 1.S68 H = 8.482(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3207e-01 1.S68 HA = 4.519(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.2233e-01 1.S68 HB2 = 3.860(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.3624e-01 1.S68 HB3 = 3.860(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7046e-01 1.S68 N = 120.578(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2208e-01 1.E69 C = 176.227(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.4159e-01 1.E69 CA = 56.708(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6966e-01 1.E69 CB = 30.589(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3640e-01 1.E69 H = 8.613(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3147e-01 1.E69 HA = 4.348(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1109e-01 1.E69 HB2 = 1.937(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.9267e-01 1.E69 HB3 = 2.120(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.7193e-01 1.E69 N = 123.469(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2122e-01 1.E70 CA = 56.387(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.5530e-01 1.E70 CB = 30.671(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.0075e-01 1.E70 H = 8.328(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.9730e-01 1.E70 HA = 4.347(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1298e-01 1.E70 HB2 = 1.893(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.4534e-01 1.E70 HB3 = 2.105(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.1707e-01 1.E70 N = 121.351(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4485e-01 1.D71 CA = 56.082(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9289e-01 1.D71 CB = 42.232(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.0396e-01 1.D71 H = 7.964(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.5081e-01 1.D71 HA = 4.378(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.0765e-01 1.D71 HB2 = 2.564(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.4851e-01 1.D71 N = 126.978(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.0113e-01