Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.26 P 0.22 V 0.18 T 0.15 I 0.12 C 0.02 C Shift Assignments>> CB :: 63.706(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.331(D) HB2 :: 3.779(D) HB3 :: 3.779(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) 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 W 0.14 E 0.14 H 0.13 C 0.11 K 0.11 R 0.09 I 0.05 M 0.02 V 0.01 C Shift Assignments>> CB :: 29.523(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 :: 8.834(D) HA :: 4.744(D) HB2 :: 2.99(D) HB3 :: 3.068(D) 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 :: 124.648(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.217(D) CB :: 31.958(D) CG :: 27.027(D) CD :: 50.741(D) 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 :: 4.26(D) HB2 :: 2.219(D) HB3 :: 2.219(D) HG2 :: 1.923(D) HG3 :: 2.006(D) HD2 :: 3.445(D) HD3 :: 3.677(D) 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.I6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 C 0.47 C Shift Assignments>> CA :: 61.167(D) CB :: 36.132(D) CG1 :: 28.728(D) CG2 :: 19.166(D) CD1 :: 13.198(D) 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 :: 8.165(D) HA :: 3.93(D) HB :: 1.56(D) HG12 :: 1.539(D) HG13 :: 1.267(D) HG21 :: 1.053(D) HG22 :: 1.053(D) HG23 :: 1.053(D) HD11 :: 0.803(D) HD12 :: 0.803(D) HD13 :: 0.803(D) 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 :: 120.167(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.26 C 0.15 D 0.09 I 0.06 L 0.06 N 0.05 C Shift Assignments>> CA :: 57.062(D) CB :: 39.277(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 :: 8(D) HA :: 3.95(D) HB2 :: 2.84(D) HB3 :: 3.016(D) HD1 :: 7.103(D) 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 :: 123.119(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.16 C 0.14 H 0.13 W 0.11 E 0.1 P 0.08 M 0.07 Q 0.06 V 0.05 K 0.05 C Shift Assignments>> CB :: 30.946(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>> HA :: 4.496(D) HB2 :: 2.849(D) HB3 :: 3.002(D) 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) 1.R9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.42 C 0.39 K 0.12 G 0.03 L 0.02 C Shift Assignments>> CA :: 57.981(D) CB :: 29.489(D) CG :: 26.916(D) CD :: 42.896(D) 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 :: 8.325(D) HA :: 4.892(D) HB2 :: 1.838(D) HB3 :: 1.838(D) HG2 :: 1.556(D) HG3 :: 1.556(D) HD2 :: 3.075(D) HD3 :: 3.075(D) 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 :: 113.848(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.G10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.517(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.169(D) HA2 :: 3.785(D) HA3 :: 4.172(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.953(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 E 0.41 I 0.05 M 0.05 K 0.03 HN Overlap>> 1.D24 1.D24 C Shift Assignments>> CA :: 56.108(D) CB :: 29.956(D) CG :: 37.358(D) 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 :: 7.997(D) HA :: 4.617(D) HB2 :: 1.787(D) HB3 :: 1.787(D) HG2 :: 2.018(D) HG3 :: 2.122(D) 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 :: 119.866(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.21 D 0.18 F 0.12 Y 0.09 R 0.05 C 0.05 N 0.02 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> CA :: 55.906(D) CB :: 41.712(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 :: 8.447(D) HA :: 4.696(D) HB2 :: 2.968(D) HB3 :: 2.579(D) HD1 :: 7.072(D) HE1 :: 7.134(D) 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 :: 117.447(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.236(D) CB :: 64.899(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.503(D) HA :: 4.667(D) HB2 :: 3.676(D) HB3 :: 3.792(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 :: 115.466(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.7 C 0.29 C Shift Assignments>> CA :: 63.698(D) CB :: 31.926(D) CG1 :: 22.731(D) CG2 :: 23.079(D) 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 :: 7.375(D) HA :: 3.841(D) HB :: 2.077(D) HG11 :: 0.89(D) HG12 :: 0.89(D) HG13 :: 0.89(D) HG21 :: 0.802(D) HG22 :: 0.802(D) HG23 :: 0.802(D) 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 :: 117.117(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.13 C 0.1 C Shift Assignments>> CA :: 54.432(D) CB :: 47.1(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.961(D) HA :: 4.69(D) HB2 :: 2.577(D) HB3 :: 2.993(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.915(D) Ave N Shift Values>> N :: 120.17(4.64) 1.D16 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.713(D) HA :: 4.404(D) HB2 :: 2.887(D) HB3 :: 2.887(D) 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 :: 125.548(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 T 0.3 I 0.14 S 0.09 P 0.05 C 0.02 C Shift Assignments>> CB :: 67.001(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.679(D) HA :: 4.994(D) HB2 :: 3.578(D) HB3 :: 3.441(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 :: 117.722(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.54 V 0.45 C Shift Assignments>> CA :: 60.82(D) CB :: 34.433(D) CG1 :: 19.8(D) CG2 :: 21.059(D) 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 :: 8.589(D) HA :: 4.343(D) HB :: 1.712(D) HG11 :: 0.736(D) HG12 :: 0.736(D) HG13 :: 0.736(D) HG21 :: 0.691(D) HG22 :: 0.691(D) HG23 :: 0.691(D) 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 :: 118.819(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.496(D) CB :: 64.938(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.369(D) HA :: 5.26(D) HB2 :: 3.158(D) HB3 :: 3.081(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 :: 122.577(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.74 V 0.24 C Shift Assignments>> CA :: 59.78(D) CB :: 36.167(D) CG1 :: 21.072(D) CG2 :: 19.963(D) 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 :: 8.681(D) HA :: 4.36(D) HB :: 1.896(D) HG11 :: 0.765(D) HG12 :: 0.765(D) HG13 :: 0.765(D) HG21 :: 0.686(D) HG22 :: 0.686(D) HG23 :: 0.686(D) 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 :: 121.033(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> H 0.14 E 0.14 W 0.14 R 0.13 Q 0.13 C 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> CA :: 56.744(D) CB :: 30.008(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.348(D) HA :: 5.062(D) HB2 :: 2.892(D) HB3 :: 3.062(D) HD1 :: 7.28(D) HE1 :: 9.866(D) HE3 :: 7.204(D) HZ2 :: 6.357(D) HH2 :: 5.446(S) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.392(D) NE1 :: 129.15(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.7 C 0.29 C Shift Assignments>> CA :: 62.699(D) CB :: 33.753(D) CG1 :: 21.073(D) CG2 :: 21.61(D) 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 :: 9.863(D) HA :: 4.35(D) HB :: 2.276(D) HG11 :: 0.964(D) HG12 :: 0.964(D) HG13 :: 0.964(D) HG21 :: 1.139(D) HG22 :: 1.139(D) HG23 :: 1.139(D) 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 :: 126.203(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.77(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.968(D) HA2 :: 4.424(D) HA3 :: 3.166(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.79(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.3 L 0.09 C 0.06 F 0.05 Y 0.04 HN Overlap>> 1.E11 1.E11 C Shift Assignments>> CA :: 52.235(D) CB :: 39.986(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 :: 8.052(D) HA :: 4.665(D) HB2 :: 2.357(D) HB3 :: 2.87(D) 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 :: 119.95(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.96 K 0.02 C Shift Assignments>> CA :: 57.756(D) CB :: 33.151(D) CG :: 23.386(D) CD :: 28.813(D) CE :: 39.218(D) 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 :: 8.474(D) HA :: 4.067(D) HB2 :: 1.676(D) HB3 :: 1.676(D) HG2 :: 1.289(D) HG3 :: 1.289(D) HD2 :: 1.439(D) HD3 :: 1.439(D) HE2 :: 2.697(D) HE3 :: 2.308(D) 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 :: 122.328(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.121(D) CB :: 70.188(D) CG2 :: 21.536(D) 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 :: 8.599(D) HA :: 4.638(D) HB :: 4.035(D) HG21 :: 1.086(D) HG22 :: 1.086(D) HG23 :: 1.086(D) 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 :: 115.884(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.79 C 0.2 C Shift Assignments>> CA :: 60.188(D) CB :: 71.522(D) CG2 :: 21.487(D) 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 :: 7.797(D) HA :: 5.141(D) HB :: 3.97(D) HG21 :: 1.045(D) HG22 :: 1.045(D) HG23 :: 1.045(D) 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 :: 116.187(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 A 0.19 C 0.18 K 0.06 P 0.01 C Shift Assignments>> CA :: 50.875(D) CB :: 23.409(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.638(D) HA :: 4.442(D) HB1 :: 1.003(D) HB2 :: 1.003(D) HB3 :: 1.003(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.18(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.254(D) CB :: 70.252(D) CG2 :: 21.559(D) 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 :: 8.751(D) HA :: 4.825(D) HB :: 3.597(D) HG21 :: 1.06(D) HG22 :: 1.06(D) HG23 :: 1.06(D) 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 :: 115.313(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.24 N 0.11 K 0.1 F 0.05 C 0.04 R 0.03 Y 0.03 C Shift Assignments>> CA :: 52.697(D) CB :: 41.748(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 :: 9.187(D) HA :: 5.152(D) HB2 :: 3.256(D) HB3 :: 2.366(D) 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 :: 125.402(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 C 0.19 C Shift Assignments>> CA :: 63.705(D) CB :: 39.029(D) CG1 :: 28.543(D) CG2 :: 16.484(D) CD1 :: 14.26(D) 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 :: 7.613(D) HA :: 3.678(D) HB :: 1.243(D) HG12 :: 0.675(D) HG13 :: 0.69(D) HG21 :: 0.744(D) HG22 :: 0.744(D) HG23 :: 0.744(D) HD11 :: 0.074(D) HD12 :: 0.074(D) HD13 :: 0.074(D) 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 :: 116.897(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.47 C 0.34 R 0.17 C Shift Assignments>> CA :: 55.415(D) CB :: 32.034(D) CG :: 25.076(D) CD :: 28.316(D) CE :: 41.693(D) 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 :: 7.809(D) HA :: 4.241(D) HB2 :: 1.872(D) HB3 :: 1.872(D) HG2 :: 1.356(D) HG3 :: 1.232(D) HD2 :: 1.518(D) HD3 :: 1.518(D) HE2 :: 2.905(D) HE3 :: 2.905(D) 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 :: 120.657(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.117(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.069(D) HA2 :: 3.328(D) HA3 :: 4.11(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.491(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.55 C 0.34 R 0.09 C Shift Assignments>> CA :: 54.865(D) CB :: 33.229(D) CG :: 24.555(D) CD :: 28.596(D) CE :: 41.751(D) 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 :: 8.583(D) HA :: 4.227(D) HB2 :: 1.668(D) HB3 :: 1.619(D) HG2 :: 1.207(D) HG3 :: 1.063(D) HD2 :: 1.599(D) HD3 :: 1.551(D) HE2 :: 2.839(D) HE3 :: 2.839(D) 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 :: 124.314(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.43 C 0.37 M 0.06 K 0.05 I 0.05 Q 0.02 C Shift Assignments>> CA :: 56.687(D) CB :: 29.984(D) CG :: 36.811(D) 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 :: 8.384(D) HA :: 4.691(D) HB2 :: 1.791(D) HB3 :: 1.791(D) HG2 :: 2(D) HG3 :: 2.106(D) 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 :: 124.266(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.87 V 0.11 A 0.01 C Shift Assignments>> CA :: 58.768(D) CB :: 35.534(D) CG1 :: 21.522(D) CG2 :: 18.402(D) 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 :: 9.067(D) HA :: 4.703(D) HB :: 1.994(D) HG11 :: 0.659(D) HG12 :: 0.659(D) HG13 :: 0.659(D) HG21 :: 0.517(D) HG22 :: 0.517(D) HG23 :: 0.517(D) 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 :: 119.346(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 C 0.26 A 0.23 C Shift Assignments>> CA :: 54.396(D) CB :: 33.793(D) CG :: 31.895(D) CE :: 16.949(D) 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 :: 8.182(D) HA :: 4.82(D) HB2 :: 1.882(D) HB3 :: 1.935(D) HG2 :: 2.357(D) HG3 :: 2.573(D) HE1 :: 1.989(D) HE2 :: 1.989(D) HE3 :: 1.989(D) 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 :: 119.403(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 C 0.35 C Shift Assignments>> CA :: 62.122(D) CB :: 32.305(D) CG1 :: 22.118(D) CG2 :: 22.23(D) 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 :: 8.114(D) HA :: 3.757(D) HB :: 1.593(D) HG11 :: 0.835(D) HG12 :: 0.835(D) HG13 :: 0.835(D) HG21 :: 0.404(D) HG22 :: 0.404(D) HG23 :: 0.404(D) 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 :: 125.68(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.59 C 0.36 A 0.03 R 0.01 C Shift Assignments>> CA :: 54.974(D) CB :: 41.168(D) CG :: 28.259(D) CD1 :: 24.627(D) CD2 :: 23.246(D) 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 :: 7.305(D) HA :: 4.2(D) HB2 :: 1.534(D) HB3 :: 1.534(D) HG :: 1.357(D) HD11 :: 0.679(D) HD12 :: 0.679(D) HD13 :: 0.679(D) HD21 :: 0.717(D) HD22 :: 0.717(D) HD23 :: 0.717(D) 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 :: 126.554(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.267(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.864(D) HA2 :: 3.891(D) HA3 :: 3.891(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.447(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 M 0.27 E 0.23 Q 0.01 C Shift Assignments>> CA :: 56.273(D) CB :: 32.771(D) CG :: 36.172(D) 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 :: 7.447(D) HA :: 4.964(D) HB2 :: 1.644(D) HB3 :: 1.644(D) HG2 :: 1.87(D) HG3 :: 1.87(D) 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 :: 113.018(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.55 V 0.44 HN Overlap>> 1.C68 1.C68 C Shift Assignments>> CA :: 59.449(D) CB :: 33.141(D) CG1 :: 20.369(D) CG2 :: 21.208(D) 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 :: 8.375(D) HA :: 3.948(D) HB :: 0.944(D) HG11 :: 0.384(D) HG12 :: 0.384(D) HG13 :: 0.384(D) HG21 :: 0.54(D) HG22 :: 0.54(D) HG23 :: 0.54(D) 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 :: 118.659(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.21 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> CA :: 51.975(D) CB :: 39.301(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 :: 7.936(D) HA :: 5.051(D) HB2 :: 2.638(D) HB3 :: 2.349(D) HD21 :: 6.546(D) HD22 :: 7.138(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 :: 123.316(D) ND2 :: 110.303(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.61 C 0.38 C Shift Assignments>> CA :: 59.78(D) CB :: 39.281(D) CG1 :: 27.05(D) CG2 :: 17.804(D) CD1 :: 13.083(D) 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 :: 8.521(D) HA :: 4.202(D) HB :: 1.589(D) HG12 :: 0.994(D) HG13 :: 1.226(D) HG21 :: 0.814(D) HG22 :: 0.814(D) HG23 :: 0.814(D) HD11 :: 0.631(D) HD12 :: 0.631(D) HD13 :: 0.631(D) 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 :: 124.182(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 C 0.21 E 0.18 Y 0.1 M 0.09 F 0.07 D 0.02 K 0.02 I 0.01 C Shift Assignments>> CA :: 54.605(D) CB :: 36.914(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 :: 7.807(D) HA :: 4.627(D) HB2 :: 2.975(D) HB3 :: 2.708(D) HD21 :: 7.56(D) HD22 :: 6.879(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 :: 116.913(D) ND2 :: 111.721(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 N 0.19 C 0.16 Y 0.16 E 0.1 F 0.09 M 0.01 D 0.01 C Shift Assignments>> CB :: 37.472(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 :: 8.36(D) HA :: 4.289(D) HB2 :: 2.923(D) HB3 :: 2.923(D) HD21 :: 7.448(D) HD22 :: 6.795(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 :: 111.164(D) ND2 :: 113.072(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.987(D) CB :: 64.244(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.74(D) HA :: 4.59(D) HB2 :: 3.654(D) HB3 :: 3.728(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 :: 115.891(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 C 0.4 C Shift Assignments>> CA :: 61.225(D) CB :: 33.206(D) CG1 :: 20.95(D) CG2 :: 21.531(D) 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 :: 8.133(D) HA :: 4.563(D) HB :: 1.647(D) HG11 :: 0.625(D) HG12 :: 0.625(D) HG13 :: 0.625(D) HG21 :: 0.723(D) HG22 :: 0.723(D) HG23 :: 0.723(D) 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 :: 123.129(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.21 D 0.19 F 0.11 Y 0.08 R 0.05 C 0.05 N 0.02 C Shift Assignments>> CA :: 55.704(D) CB :: 41.717(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 :: 8.507(D) HA :: 4.749(D) HB2 :: 3.161(D) HB3 :: 2.96(D) HD1 :: 7.068(D) HE1 :: 6.893(D) 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 :: 121.621(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.42 C 0.33 L 0.11 R 0.11 C Shift Assignments>> CA :: 57.304(D) CG :: 25.218(D) CD :: 28.73(D) 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 :: 8.381(D) HA :: 4.45(D) HB2 :: 2.097(D) HB3 :: 2.097(D) HG2 :: 1.46(D) HG3 :: 1.177(D) HD2 :: 1.626(D) HD3 :: 1.626(D) HE2 :: 2.836(D) HE3 :: 2.836(D) 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 :: 115.329(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.28 C 0.24 K 0.12 E 0.02 C Shift Assignments>> CA :: 54.374(D) CB :: 30.707(D) CG :: 33.275(D) 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 :: 8.591(D) HA :: 4.501(D) HB2 :: 1.988(D) HB3 :: 2.048(D) HG2 :: 2.355(D) HG3 :: 2.211(D) HE21 :: 8.282(D) HE22 :: 7.34(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 :: 119.955(D) NE2 :: 112.634(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.27 C 0.15 I 0.08 D 0.08 L 0.06 N 0.03 HN Overlap>> 1.R69 1.R69 C Shift Assignments>> CA :: 57.334(D) CB :: 39.293(D) 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 :: 8.739(D) HA :: 4.818(D) HB2 :: 3.152(D) HB3 :: 3.189(D) HD1 :: 7(D) HE1 :: 6.751(D) 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 :: 124.99(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.18 F 0.18 K 0.16 D 0.16 Y 0.15 C 0.08 N 0.02 I 0.02 R 0.01 C Shift Assignments>> CA :: 56.629(D) CB :: 41.144(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 :: 8.809(D) HA :: 5.193(D) HB2 :: 2.762(D) HB3 :: 3.067(D) HD1 :: 7.254(D) HE1 :: 7.369(D) HZ :: 6.83(D) 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 :: 116.905(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> F 0.26 Y 0.24 D 0.13 C 0.12 L 0.1 N 0.04 I 0.04 K 0.01 C Shift Assignments>> CA :: 56.831(D) CB :: 39.888(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 :: 8.986(D) HA :: 4.391(D) HB2 :: 2.747(D) HB3 :: 3.106(D) HD1 :: 5.853(S) 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 :: 127.265(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.64 M 0.19 E 0.15 C Shift Assignments>> CA :: 55.183(D) CB :: 33.031(D) CG :: 37.385(D) 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 :: 8.378(D) HA :: 4.758(D) HB2 :: 1.863(D) HB3 :: 1.564(D) HG2 :: 2.213(D) HG3 :: 2.079(D) 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 :: 127.316(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 60.878(D) CB :: 70.707(D) CG2 :: 21.873(D) 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 :: 7.559(D) HA :: 4.793(D) HB :: 3.151(D) HG21 :: 0.706(D) HG22 :: 0.706(D) HG23 :: 0.706(D) 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 :: 120.277(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.47 C 0.33 R 0.1 A 0.07 G 0.01 C Shift Assignments>> CA :: 52.784(D) CB :: 33.108(D) CG :: 23.385(D) CD :: 28.562(D) CE :: 41.808(D) 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 :: 8.095(D) HA :: 4.531(D) HB2 :: 1.674(D) HB3 :: 1.674(D) HG2 :: 1.003(D) HG3 :: 1.262(D) HD2 :: 1.494(D) HD3 :: 1.494(D) HE2 :: 2.817(D) HE3 :: 2.714(D) 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 :: 117.998(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.2 N 0.13 F 0.09 Y 0.07 K 0.07 C 0.06 C Shift Assignments>> CA :: 54.172(D) CB :: 40.896(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.929(D) HA :: 4.534(D) HB2 :: 2.712(D) HB3 :: 2.473(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.528(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.84 K 0.08 G 0.06 C Shift Assignments>> CB :: 30.213(D) CG :: 26.943(D) CD :: 42.927(D) 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>> HA :: 4.639(D) HB2 :: 1.675(D) HB3 :: 1.773(D) HG2 :: 1.424(D) HG3 :: 1.424(D) HD2 :: 3.075(D) HD3 :: 3.075(D) 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) 1.D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.11 M 0.09 N 0.07 H 0.07 Q 0.07 R 0.06 A 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.866(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 :: 7.957(D) 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 :: 121.192(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.77(D) CB :: 31.882(D) CG :: 27.011(D) CD :: 50.233(D) 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 :: 4.62(D) HB2 :: 2.176(D) HB3 :: 2.176(D) HG2 :: 1.82(D) HG3 :: 1.82(D) HD2 :: 3.267(D) HD3 :: 3.605(D) 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.N62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.52 A 0.2 N 0.12 D 0.04 C 0.02 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.804(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 :: 8.111(D) HA :: 4.223(D) HB2 :: 2.645(D) HB3 :: 2.645(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 :: 118.794(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.756(D) CB :: 31.879(D) CG :: 27.647(D) CD :: 51.49(D) 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 :: 4.771(D) HB2 :: 2.287(D) HB3 :: 1.889(D) HG2 :: 2.05(D) HG3 :: 2.05(D) HD2 :: 3.892(D) HD3 :: 3.892(D) 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.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.56 C 0.43 C Shift Assignments>> CA :: 61.179(D) CB :: 32.5(D) CG1 :: 21.631(D) CG2 :: 19.8(D) 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 :: 8.126(D) HA :: 4.137(D) HB :: 2.074(D) HG11 :: 0.775(D) HG12 :: 0.775(D) HG13 :: 0.775(D) HG21 :: 0.672(D) HG22 :: 0.672(D) HG23 :: 0.672(D) 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) 1.D65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> D 0.28 L 0.17 F 0.14 N 0.12 Y 0.12 C 0.07 K 0.04 I 0.01 C Shift Assignments>> CA :: 55.049(D) CB :: 40.441(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 :: 8.042(D) HA :: 4.4(D) HB2 :: 2.548(D) HB3 :: 2.638(D) 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) 1.S66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.697(D) CB :: 63.527(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.649(D) HB2 :: 3.9(D) HB3 :: 3.9(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) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.333(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.702(D) HA2 :: 4.227(D) HA3 :: 3.768(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.154(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.2 D 0.19 K 0.1 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 HN Overlap>> 1.V42 1.V42 C Shift Assignments>> CA :: 54.258(D) CB :: 42.811(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.375(D) HA :: 4.098(D) HB2 :: 3.085(D) HB3 :: 2.588(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.699(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.42 C 0.42 K 0.11 G 0.03 HN Overlap>> 1.Y52 1.Y52 C Shift Assignments>> CA :: 57.368(D) CB :: 31.756(D) CG :: 27.033(D) CD :: 42.932(D) 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 :: 8.727(D) HA :: 3.768(D) HB2 :: 1.806(D) HB3 :: 1.806(D) HG2 :: 1.35(D) HG3 :: 1.35(D) HD2 :: 3.317(D) HD3 :: 3.103(D) 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 :: 124.987(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.G70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.2 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.698(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.026(D) HA2 :: 3.013(D) HA3 :: 2.759(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.278(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.83 A 0.08 I 0.06 M 0.01 C Shift Assignments>> CA :: 57.525(D) CB :: 36.249(D) CG1 :: 28.292(D) CG2 :: 18.268(D) CD1 :: 9.212(D) 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 :: 6.403(D) HA :: 3.894(D) HB :: 1.655(D) HG12 :: 1.455(D) HG13 :: 0.956(D) HG21 :: 0.588(D) HG22 :: 0.588(D) HG23 :: 0.588(D) HD11 :: 0.23(D) HD12 :: 0.23(D) HD13 :: 0.23(D) 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 :: 117.889(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.21 N 0.15 K 0.07 F 0.06 C 0.05 Y 0.05 R 0.01 C Shift Assignments>> CA :: 53.275(D) CB :: 41.158(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 :: 8.894(D) HA :: 4.777(D) HB2 :: 2.534(D) HB3 :: 2.308(D) 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 :: 123.957(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.519(D) CB :: 63.494(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.225(D) HA :: 4.756(D) HB2 :: 4.053(D) HB3 :: 3.88(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 :: 124.333(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 K 0.41 R 0.14 C Shift Assignments>> CA :: 58.45(D) CB :: 31.33(D) CG :: 24.472(D) CD :: 28.894(D) CE :: 41.94(D) 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 :: 7.955(D) HA :: 3.872(D) HB2 :: 1.313(D) HB3 :: 1.561(D) HG2 :: 0.824(D) HG3 :: 1.065(D) HD2 :: 1.306(D) HD3 :: 1.306(D) HE2 :: 2.79(D) HE3 :: 2.79(D) 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 :: 120.535(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 M 0.16 C 0.16 R 0.11 H 0.1 Q 0.09 W 0.08 E 0.06 V 0.02 C Shift Assignments>> CA :: 56.86(D) CB :: 32.484(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 :: 6.797(D) HA :: 4.371(D) HB2 :: 2.279(D) HB3 :: 2.279(D) 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 :: 111.768(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.17 C 0.15 R 0.11 H 0.1 Q 0.1 W 0.07 E 0.05 V 0.01 C Shift Assignments>> CA :: 55.993(D) CB :: 32.505(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.648(D) HA :: 5.165(D) HB2 :: 3.156(D) HB3 :: 2.604(D) HD1 :: 6.818(D) HE1 :: 10.33(D) HE3 :: 6.7(D) HZ2 :: 7.192(D) HH2 :: 7.485(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.67(D) NE1 :: 128.166(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 D 0.22 C 0.07 F 0.06 L 0.06 Y 0.05 C Shift Assignments>> CA :: 52.697(D) CB :: 39.251(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 :: 9.191(D) HA :: 4.973(D) HB2 :: 2.808(D) HB3 :: 2.689(D) HD21 :: 7.405(D) HD22 :: 6.99(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 :: 121.227(D) ND2 :: 114.122(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.55 S 0.44 C Shift Assignments>> CA :: 57.881(D) CB :: 67.241(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.401(D) HA :: 5.641(D) HB2 :: 3.858(D) HB3 :: 3.679(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 :: 113.933(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.27 C 0.13 D 0.1 L 0.08 I 0.06 N 0.04 C Shift Assignments>> CA :: 57.091(D) CB :: 39.62(D) 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 :: 8.268(D) HA :: 4.696(D) HB2 :: 3.168(D) HB3 :: 2.915(D) HD1 :: 6.708(D) HE1 :: 6.491(D) 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 :: 114.597(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.22 D 0.17 K 0.1 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> CA :: 54.612(D) CB :: 42.875(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.059(D) HA :: 5.186(D) HB2 :: 2.859(D) HB3 :: 3.141(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.177(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.65 C 0.33 C Shift Assignments>> CA :: 60.358(D) CB :: 70.875(D) CG2 :: 19.21(D) 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 :: 9.465(D) HA :: 4.671(D) HB :: 3.879(D) HG21 :: 0.869(D) HG22 :: 0.869(D) HG23 :: 0.869(D) 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 :: 119.862(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 62.452(D) CB :: 70.391(D) CG2 :: 22.887(D) 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 :: 7.854(D) HA :: 5.255(D) HB :: 4.003(D) HG21 :: 1.251(D) HG22 :: 1.251(D) HG23 :: 1.251(D) 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 :: 121.319(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.79 C 0.2 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> CA :: 59.953(D) CB :: 70.192(D) CG2 :: 22.104(D) 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 :: 8.36(D) HA :: 4.497(D) HB :: 3.961(D) HG21 :: 0.863(D) HG22 :: 0.863(D) HG23 :: 0.863(D) 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 :: 117.526(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.15 R 0.15 H 0.14 C 0.13 K 0.11 W 0.1 E 0.09 Q 0.08 C Shift Assignments>> CA :: 55.761(D) CB :: 31.403(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 :: 7.496(D) HA :: 5.526(D) HB2 :: 2.833(D) HB3 :: 2.623(D) HD2 :: 5.888(D) HE1 :: 7.889(D) 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 :: 116.617(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.64 C 0.31 A 0.04 C Shift Assignments>> CA :: 58.826(D) CB :: 70.377(D) CG2 :: 19.765(D) 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 :: 8.704(D) HA :: 4.331(D) HB :: 3.937(D) HG1 :: 6.419(D) HG21 :: 1.088(D) HG22 :: 1.088(D) HG23 :: 1.088(D) 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 :: 114.252(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.27 K 0.12 D 0.1 F 0.08 C 0.05 Y 0.05 G 0.02 C Shift Assignments>> CA :: 55.993(D) CB :: 42.937(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 :: 7.518(D) HA :: 5.853(D) HB2 :: 2.746(D) HB3 :: 2.252(D) HD1 :: 6.078(D) HE1 :: 6.727(D) 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 :: 118.215(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.66 V 0.32 C Shift Assignments>> CA :: 59.693(D) CB :: 35.566(D) CG1 :: 22.192(D) CG2 :: 20.316(D) 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 :: 9.26(D) HA :: 5.001(D) HB :: 2.353(D) HG11 :: 1.345(D) HG12 :: 1.345(D) HG13 :: 1.345(D) HG21 :: 1.124(D) HG22 :: 1.124(D) HG23 :: 1.124(D) 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 :: 117.414(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.53 C 0.31 R 0.14 C Shift Assignments>> CA :: 54.616(D) CB :: 33.166(D) CG :: 24.605(D) CD :: 28.443(D) CE :: 42.012(D) 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 :: 7.816(D) HA :: 4.485(D) HB2 :: 2.244(D) HB3 :: 1.941(D) HG2 :: 1.276(D) HG3 :: 1.276(D) HD2 :: 1.648(D) HD3 :: 1.648(D) HE2 :: 2.84(D) HE3 :: 2.84(D) 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 :: 118.647(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> CA :: 51.599(D) CB :: 19.131(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.07(D) HA :: 4.242(D) HB1 :: 1.25(D) HB2 :: 1.25(D) HB3 :: 1.25(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.512(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 A 0.3 C 0.29 R 0.06 C Shift Assignments>> CA :: 54.866(D) CB :: 41.662(D) CG :: 26.949(D) CD1 :: 26.398(D) CD2 :: 20.885(D) 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 :: 7.444(D) HA :: 4.775(D) HB2 :: 1.823(D) HB3 :: 1.582(D) HG :: 1.11(D) HD11 :: 0.63(D) HD12 :: 0.63(D) HD13 :: 0.63(D) HD21 :: 0.128(D) HD22 :: 0.128(D) HD23 :: 0.128(D) 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 :: 117.242(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> T 0.65 C 0.34 C Shift Assignments>> CA :: 59.494(D) CB :: 71.786(D) CG2 :: 22.118(D) 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 :: 8.6(D) HA :: 5.132(D) HB :: 4.012(D) HG21 :: 0.877(D) HG22 :: 0.877(D) HG23 :: 0.877(D) 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) 1.M92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 C 0.3 A 0.17 C Shift Assignments>> CA :: 54.634(D) CB :: 34.58(D) CG :: 31.97(D) CE :: 16.6(D) 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 :: 8.753(D) HA :: 4.798(D) HB2 :: 1.633(D) HB3 :: 1.633(D) HG2 :: 2.274(D) HG3 :: 2.274(D) HE1 :: 1.932(D) HE2 :: 1.932(D) HE3 :: 1.932(D) 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 :: 118.369(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.19 N 0.16 F 0.08 Y 0.06 K 0.06 C 0.05 C Shift Assignments>> CA :: 53.864(D) CB :: 40.867(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 :: 7.626(D) HA :: 4.5(D) HB2 :: 2.76(D) HB3 :: 2.76(D) 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 :: 125.137(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.295(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.943(D) HA2 :: 3.779(D) HA3 :: 3.779(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.545(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.39 C 0.32 R 0.26 G 0.01 HN Overlap>> 1.T83 1.T83 1.F12 1.F12 C Shift Assignments>> CA :: 55.733(D) CB :: 31.306(D) CG :: 24.13(D) CD :: 28.731(D) CE :: 42.344(D) 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 :: 8.423(D) HA :: 4.685(D) HB2 :: 1.98(D) HB3 :: 1.731(D) HG2 :: 1.234(D) HG3 :: 1.234(D) HD2 :: 1.409(D) HD3 :: 1.409(D) HE2 :: 3.007(D) HE3 :: 2.798(D) 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 :: 117.49(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 Q 0.28 C 0.26 K 0.13 E 0.02 C Shift Assignments>> CA :: 55.578(D) CB :: 30.724(D) CG :: 33.194(D) 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 :: 8.613(D) HA :: 4.265(D) HB2 :: 2.016(D) HB3 :: 1.97(D) HG2 :: 2.207(D) HG3 :: 2.207(D) HE21 :: 7.481(D) HE22 :: 6.776(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 :: 118.327(D) NE2 :: 112.065(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.05 C 0.01 C Shift Assignments>> CA :: 51.085(D) CB :: 19.142(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.742(D) HA :: 4.514(D) HB1 :: 1.102(D) HB2 :: 1.102(D) HB3 :: 1.102(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.613(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 L 0.27 C 0.09 C Shift Assignments>> CA :: 51.442(D) CB :: 22.089(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.982(D) HA :: 5.103(D) HB1 :: 1.176(D) HB2 :: 1.176(D) HB3 :: 1.176(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.58(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 H 0.11 P 0.1 W 0.1 M 0.09 E 0.08 V 0.07 K 0.06 Q 0.04 C Shift Assignments>> CB :: 31.196(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.207(D) HA :: 4.547(D) HB2 :: 2.849(D) HB3 :: 2.988(D) HD1 :: 7.073(D) HE1 :: 10.035(D) HE3 :: 7.3(D) HZ2 :: 7.02(D) HZ3 :: 6.784(D) HH2 :: 7.428(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.92(D) NE1 :: 129.18(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.44 C 0.41 K 0.12 G 0.01 C Shift Assignments>> CA :: 56.873(D) CB :: 30.169(D) CG :: 27.101(D) CD :: 42.354(D) 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 :: 7.714(D) HA :: 3.98(D) HB2 :: 1.666(D) HB3 :: 1.629(D) HG2 :: 1.428(D) HG3 :: 1.322(D) HD2 :: 2.679(D) HD3 :: 2.679(D) 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 :: 124.515(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.F101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 F 0.26 Y 0.25 C 0.15 L 0.01 C Shift Assignments>> CA :: 60.523(D) CB :: 39.948(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 :: 9.506(D) HA :: 4.746(D) HB2 :: 2.804(D) HB3 :: 2.804(D) HD1 :: 7.111(D) HE1 :: 7.219(D) 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 :: 120.346(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.61 I 0.35 A 0.01 G 0.01 C Shift Assignments>> CA :: 58.941(D) CB :: 41.74(D) CG1 :: 24.67(D) CG2 :: 17.719(D) CD1 :: 13.707(D) 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 :: 9.315(D) HA :: 5.022(D) HB :: 1.473(D) HG12 :: 1.198(D) HG13 :: 0.984(D) HG21 :: 0.449(D) HG22 :: 0.449(D) HG23 :: 0.449(D) HD11 :: -0.069(D) HD12 :: -0.069(D) HD13 :: -0.069(D) 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 :: 116.028(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 R 0.32 K 0.25 G 0.01 C Shift Assignments>> CA :: 55.552(D) CB :: 32.96(D) CG :: 26.883(D) CD :: 42.252(D) 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 :: 8.438(D) HA :: 4.523(D) HB2 :: 1.641(D) HB3 :: 1.511(D) HG2 :: 1.302(D) HG3 :: 1.302(D) HD2 :: 2.6(D) HD3 :: 2.6(D) 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 :: 121.927(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.I104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 I 0.39 A 0.04 C Shift Assignments>> CA :: 57.662(D) CB :: 41.01(D) CG1 :: 26.514(D) CG2 :: 17.354(D) CD1 :: 11.856(D) 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 :: 8.233(D) HA :: 4.506(D) HB :: 1.824(D) HG12 :: 1.076(D) HG13 :: 1.39(D) HG21 :: 0.724(D) HG22 :: 0.724(D) HG23 :: 0.724(D) HD11 :: 0.551(D) HD12 :: 0.551(D) HD13 :: 0.551(D) 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 :: 122.169(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.22 F 0.19 Y 0.17 L 0.16 C 0.09 N 0.07 K 0.05 I 0.02 C Shift Assignments>> CA :: 55.992(D) CB :: 40.426(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 :: 8.735(D) HA :: 4.53(D) HB2 :: 2.276(D) HB3 :: 2.726(D) 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 :: 128.167(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.55 T 0.44 C Shift Assignments>> CA :: 60.511(D) CB :: 73.455(D) CG2 :: 21.664(D) 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 :: 9.137(D) HA :: 5(D) HB :: 3.836(D) HG21 :: 0.833(D) HG22 :: 0.833(D) HG23 :: 0.833(D) 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 :: 115.873(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.73 L 0.18 C 0.07 C Shift Assignments>> CA :: 51.846(D) CB :: 21.607(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4(D) HA :: 3.858(D) HB1 :: 0.837(D) HB2 :: 0.837(D) HB3 :: 0.837(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.942(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.21 F 0.12 K 0.09 Y 0.09 N 0.09 C 0.06 C Shift Assignments>> CA :: 54.873(D) CB :: 40.949(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.338(D) HA :: 4.985(D) HB2 :: 3.104(D) HB3 :: 2.689(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.731(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.82 V 0.16 C Shift Assignments>> CA :: 59.075(D) CB :: 34.905(D) CG1 :: 21.752(D) CG2 :: 18.438(D) 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 :: 9.227(D) HA :: 4.5(D) HB :: 2.135(D) HG11 :: 0.863(D) HG12 :: 0.863(D) HG13 :: 0.863(D) HG21 :: 0.517(D) HG22 :: 0.517(D) HG23 :: 0.517(D) 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 :: 121.054(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> L 0.28 D 0.23 K 0.16 R 0.11 F 0.06 Y 0.04 C 0.04 N 0.03 C Shift Assignments>> CA :: 54.444(D) CB :: 42.212(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.7(D) HA :: 4.775(D) HB2 :: 2.787(D) HB3 :: 2.927(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.V111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> V 0.57 C 0.42 C Shift Assignments>> CA :: 61.204(D) CB :: 33.154(D) CG1 :: 20.364(D) CG2 :: 21.437(D) 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 :: 8.85(D) HA :: 4.101(D) HB :: 0.9(S) HG11 :: 0.326(D) HG12 :: 0.326(D) HG13 :: 0.326(D) HG21 :: 0.56(D) HG22 :: 0.56(D) HG23 :: 0.56(D) 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 :: 130.812(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.7 C 0.18 A 0.11 C Shift Assignments>> CA :: 53.131(D) CG :: 26.387(D) CD1 :: 24.041(D) CD2 :: 22.853(D) 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 :: 8.39(D) HA :: 5.069(D) HB2 :: 1.096(D) HB3 :: 1.309(D) HG :: 0.96(D) HD11 :: -0.512(S) HD12 :: -0.512(S) HD13 :: -0.512(S) HD21 :: 0.191(D) HD22 :: 0.191(D) HD23 :: 0.191(D) 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 :: 121.762(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 57.681(D) CB :: 65.397(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.513(D) HA :: 4.84(D) HB2 :: 3.822(D) HB3 :: 3.822(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 :: 111.205(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.46 C 0.42 K 0.06 G 0.03 C Shift Assignments>> CA :: 57.295(D) CB :: 30.352(D) CG :: 27.03(D) CD :: 42.966(D) 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 :: 9.304(D) HA :: 4.001(D) HB2 :: 1.36(D) HB3 :: 1.616(D) HG2 :: 1.004(D) HG3 :: 1.004(D) HD2 :: 2.67(D) HD3 :: 2.357(D) 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 :: 125.698(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.K115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.5 C 0.49 C Shift Assignments>> CA :: 57.295(D) CB :: 33.246(D) CG :: 25.769(D) CD :: 28.885(D) 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 :: 7.646(D) HA :: 4.231(D) HB2 :: 1.232(D) HB3 :: 1.486(D) HG2 :: 1.011(D) HG3 :: 1.095(D) HD2 :: 1.244(D) HD3 :: 1.244(D) HE2 :: 3.019(D) HE3 :: 2.747(D) 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 :: 122.358(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 L 0.18 C 0.07 C Shift Assignments>> CA :: 52.061(D) CB :: 21.549(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.235(D) HA :: 4.074(D) HB1 :: 1.168(D) HB2 :: 1.168(D) HB3 :: 1.168(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.885(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.65 C 0.33 C Shift Assignments>> CA :: 62.268(D) CB :: 32.543(D) CG1 :: 20.809(D) 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 :: 8.007(D) HA :: 3.959(D) HB :: 1.929(D) HG11 :: 0.767(D) HG12 :: 0.767(D) HG13 :: 0.767(D) HG21 :: 0.43(D) HG22 :: 0.43(D) HG23 :: 0.43(D) 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 :: 120.162(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.44 C 0.42 K 0.08 G 0.03 C Shift Assignments>> CA :: 57.295(D) CB :: 31.465(D) CG :: 26.983(D) CD :: 43.069(D) 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 :: 7.766(D) HA :: 3.955(D) HB2 :: 1.725(D) HB3 :: 1.632(D) HG2 :: 1.395(D) HG3 :: 1.484(D) HD2 :: 3.023(D) HD3 :: 3.023(D) 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 :: 129.017(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) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 112 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 115 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 329 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 759 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 114 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S2 CB = 63.706(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4936e-01 1.S2 HA = 4.331(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.0952e-01 1.S2 HB2 = 3.779(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.8621e-01 1.S2 HB3 = 3.779(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.9258e-01 1.H4 CB = 29.523(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.2906e-01 1.H4 H = 8.834(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.8237e-01 1.H4 HA = 4.744(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.5532e-01 1.H4 HB2 = 2.99(D), Expected = 3.10, Std = 0.3600, ChiSquare = 7.5994e-01 1.H4 HB3 = 3.068(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.4126e-01 1.H4 N = 124.648(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.1516e-01 1.P5 CA = 63.217(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.4074e-01 1.P5 CB = 31.958(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.2708e-01 1.P5 CG = 27.027(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.9562e-01 1.P5 CD = 50.741(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.7065e-01 1.P5 HA = 4.26(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.7139e-01 1.P5 HB2 = 2.219(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.9126e-01 1.P5 HB3 = 2.219(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.4297e-01 1.P5 HG2 = 1.923(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.8198e-01 1.P5 HG3 = 2.006(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.4805e-01 1.P5 HD2 = 3.445(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.5807e-01 1.P5 HD3 = 3.677(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.6360e-01 1.I6 CA = 61.167(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.6871e-01 1.I6 CB = 36.132(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.1622e-01 1.I6 CG1 = 28.728(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.4455e-01 1.I6 CG2 = 19.166(D), Expected = 17.53, Std = 1.3600, ChiSquare = 2.2900e-01 1.I6 CD1 = 13.198(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.8951e-01 1.I6 H = 8.165(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6570e-01 1.I6 HA = 3.93(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.5529e-01 1.I6 HB = 1.56(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.4808e-01 1.I6 HG12 = 1.539(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.1731e-01 1.I6 HG13 = 1.267(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.5103e-01 1.I6 HG21 = 1.053(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9457e-01 1.I6 HG22 = 1.053(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9457e-01 1.I6 HG23 = 1.053(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9457e-01 1.I6 HD11 = 0.803(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7146e-01 1.I6 HD12 = 0.803(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7146e-01 1.I6 HD13 = 0.803(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7146e-01 1.I6 N = 120.167(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6257e-01 1.F7 CA = 57.062(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.9202e-01 1.F7 CB = 39.277(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.3299e-01 1.F7 H = 8(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.1707e-01 1.F7 HA = 3.95(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.3288e-01 1.F7 HB2 = 2.84(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.6543e-01 1.F7 HB3 = 3.016(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.2977e-01 1.F7 HD1 = 7.103(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.8968e-01 1.F7 N = 123.119(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.2314e-01 1.H8 CB = 30.946(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.3306e-01 1.H8 HA = 4.496(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.9092e-01 1.H8 HB2 = 2.849(D), Expected = 3.10, Std = 0.3600, ChiSquare = 4.8566e-01 1.H8 HB3 = 3.002(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.2034e-01 1.R9 CA = 57.981(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.0011e-01 1.R9 CB = 29.489(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.0813e-01 1.R9 CG = 26.916(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.0646e-01 1.R9 CD = 42.896(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.6418e-01 1.R9 H = 8.325(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8918e-01 1.R9 HA = 4.892(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.9811e-01 1.R9 HB2 = 1.838(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.5890e-01 1.R9 HB3 = 1.838(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.8057e-01 1.R9 HG2 = 1.556(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.5865e-01 1.R9 HG3 = 1.556(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.5600e-01 1.R9 HD2 = 3.075(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.5127e-01 1.R9 HD3 = 3.075(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.2340e-01 1.R9 N = 113.848(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.8875e-02 1.G10 CA = 45.517(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0082e-01 1.G10 H = 8.169(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0437e-01 1.G10 HA2 = 3.785(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.1707e-01 1.G10 HA3 = 4.172(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.6226e-01 1.G10 N = 109.953(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4171e-01 1.E11 CA = 56.108(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6198e-01 1.E11 CB = 29.956(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7495e-01 1.E11 CG = 37.358(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.9430e-01 1.E11 H = 7.997(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.7248e-01 1.E11 HA = 4.617(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.7072e-01 1.E11 HB2 = 1.787(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.6720e-01 1.E11 HB3 = 1.787(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.7745e-01 1.E11 HG2 = 2.018(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.3014e-01 1.E11 HG3 = 2.122(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.6069e-01 1.E11 N = 119.866(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1729e-01 1.F12 CA = 55.906(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.9760e-01 1.F12 CB = 41.712(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0998e-01 1.F12 H = 8.447(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.0382e-01 1.F12 HA = 4.696(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.0782e-01 1.F12 HB2 = 2.968(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.3108e-01 1.F12 HB3 = 2.579(D), Expected = 2.93, Std = 0.4000, ChiSquare = 3.8022e-01 1.F12 HD1 = 7.072(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.6912e-01 1.F12 HE1 = 7.134(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.6171e-01 1.F12 N = 117.447(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.7250e-01 1.S13 CA = 57.236(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.7343e-01 1.S13 CB = 64.899(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.5774e-01 1.S13 H = 8.503(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.0546e-01 1.S13 HA = 4.667(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.4014e-01 1.S13 HB2 = 3.676(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.1450e-01 1.S13 HB3 = 3.792(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2991e-01 1.S13 N = 115.466(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1712e-01 1.V14 CA = 63.698(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.7275e-01 1.V14 CB = 31.926(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.5331e-01 1.V14 CG1 = 22.731(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.6151e-01 1.V14 CG2 = 23.079(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.4360e-01 1.V14 H = 7.375(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7204e-01 1.V14 HA = 3.841(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.4736e-01 1.V14 HB = 2.077(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.6179e-01 1.V14 HG11 = 0.89(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1749e-01 1.V14 HG12 = 0.89(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1749e-01 1.V14 HG13 = 0.89(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1749e-01 1.V14 HG21 = 0.802(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V14 HG22 = 0.802(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V14 HG23 = 0.802(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V14 N = 117.117(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7555e-01 1.C15 CA = 54.432(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.4541e-01 1.C15 CB = 47.1(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.5059e-02 1.C15 H = 6.961(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2938e-02 1.C15 HA = 4.69(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.5650e-01 1.C15 HB2 = 2.577(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.8405e-01 1.C15 HB3 = 2.993(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.2282e-01 1.C15 N = 114.915(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.5741e-01 1.D16 H = 7.713(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.0333e-01 1.D16 HA = 4.404(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.6107e-01 1.D16 HB2 = 2.887(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.2067e-01 1.D16 HB3 = 2.887(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.1753e-01 1.D16 N = 125.548(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0447e-01 1.S17 CB = 67.001(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.0554e-02 1.S17 H = 8.679(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9887e-01 1.S17 HA = 4.994(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.9879e-01 1.S17 HB2 = 3.578(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.2705e-01 1.S17 HB3 = 3.441(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.2982e-01 1.S17 N = 117.722(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.8206e-01 1.V18 CA = 60.82(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.5928e-01 1.V18 CB = 34.433(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4140e-01 1.V18 CG1 = 19.8(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.1400e-01 1.V18 CG2 = 21.059(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.9748e-01 1.V18 H = 8.589(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5540e-01 1.V18 HA = 4.343(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.9194e-01 1.V18 HB = 1.712(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.0231e-01 1.V18 HG11 = 0.736(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1770e-01 1.V18 HG12 = 0.736(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1770e-01 1.V18 HG13 = 0.736(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1770e-01 1.V18 HG21 = 0.691(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.9706e-01 1.V18 HG22 = 0.691(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.9706e-01 1.V18 HG23 = 0.691(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.9706e-01 1.V18 N = 118.819(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0919e-01 1.S19 CA = 57.496(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.5432e-01 1.S19 CB = 64.938(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.4194e-01 1.S19 H = 8.369(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8010e-01 1.S19 HA = 5.26(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.1176e-02 1.S19 HB2 = 3.158(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.8770e-03 1.S19 HB3 = 3.081(D), Expected = 3.85, Std = 0.2700, ChiSquare = 4.3974e-03 1.S19 N = 122.577(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3628e-02 1.V20 CA = 59.78(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.4336e-01 1.V20 CB = 36.167(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.4844e-02 1.V20 CG1 = 21.072(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.5857e-01 1.V20 CG2 = 19.963(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.0574e-01 1.V20 H = 8.681(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5950e-01 1.V20 HA = 4.36(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.6944e-01 1.V20 HB = 1.896(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.9294e-01 1.V20 HG11 = 0.765(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 1.V20 HG12 = 0.765(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 1.V20 HG13 = 0.765(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 1.V20 HG21 = 0.686(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V20 HG22 = 0.686(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V20 HG23 = 0.686(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V20 N = 121.033(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8120e-01 1.W21 CA = 56.744(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.2256e-01 1.W21 CB = 30.008(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.9921e-01 1.W21 H = 8.348(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.4147e-01 1.W21 HA = 5.062(D), Expected = 4.68, Std = 0.5300, ChiSquare = 4.7106e-01 1.W21 HB2 = 2.892(D), Expected = 3.19, Std = 0.3500, ChiSquare = 3.9453e-01 1.W21 HB3 = 3.062(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.7201e-01 1.W21 HD1 = 7.28(D), Expected = 7.14, Std = 0.3600, ChiSquare = 6.9736e-01 1.W21 HE1 = 9.866(D), Expected = 10.08, Std = 0.6600, ChiSquare = 7.4575e-01 1.W21 HE3 = 7.204(D), Expected = 7.31, Std = 0.4100, ChiSquare = 7.9599e-01 1.W21 HZ2 = 6.357(D), Expected = 7.28, Std = 0.3300, ChiSquare = 5.1584e-03 1.W21 HH2 = 5.446(S), Expected = 6.98, Std = 0.3900, ChiSquare = 8.3776e-05 1.W21 N = 122.392(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.6475e-01 1.W21 NE1 = 129.15(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.3579e-01 1.V22 CA = 62.699(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4175e-01 1.V22 CB = 33.753(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6766e-01 1.V22 CG1 = 21.073(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.5913e-01 1.V22 CG2 = 21.61(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.2248e-01 1.V22 H = 9.863(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8887e-02 1.V22 HA = 4.35(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.8265e-01 1.V22 HB = 2.276(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.5497e-01 1.V22 HG11 = 0.964(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V22 HG12 = 0.964(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V22 HG13 = 0.964(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V22 HG21 = 1.139(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2600e-01 1.V22 HG22 = 1.139(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2600e-01 1.V22 HG23 = 1.139(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2600e-01 1.V22 N = 126.203(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.6477e-01 1.G23 CA = 44.77(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6513e-01 1.G23 H = 8.968(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2633e-01 1.G23 HA2 = 4.424(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.1981e-01 1.G23 HA3 = 3.166(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.7280e-02 1.G23 N = 115.79(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1379e-01 1.D24 CA = 52.235(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.2652e-01 1.D24 CB = 39.986(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.8105e-01 1.D24 H = 8.052(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.5644e-01 1.D24 HA = 4.665(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.1469e-01 1.D24 HB2 = 2.357(D), Expected = 2.72, Std = 0.2600, ChiSquare = 1.6267e-01 1.D24 HB3 = 2.87(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.5325e-01 1.D24 N = 119.95(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5610e-01 1.K25 CA = 57.756(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1409e-01 1.K25 CB = 33.151(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3928e-01 1.K25 CG = 23.386(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.8320e-01 1.K25 CD = 28.813(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.9173e-01 1.K25 CE = 39.218(D), Expected = 41.89, Std = 0.8200, ChiSquare = 1.1199e-03 1.K25 H = 8.474(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.3598e-01 1.K25 HA = 4.067(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4454e-01 1.K25 HB2 = 1.676(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.7741e-01 1.K25 HB3 = 1.676(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.1263e-01 1.K25 HG2 = 1.289(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.5539e-01 1.K25 HG3 = 1.289(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.2754e-01 1.K25 HD2 = 1.439(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.3700e-01 1.K25 HD3 = 1.439(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.6428e-01 1.K25 HE2 = 2.697(D), Expected = 2.92, Std = 0.1900, ChiSquare = 2.4052e-01 1.K25 HE3 = 2.308(D), Expected = 2.91, Std = 0.2000, ChiSquare = 2.6125e-03 1.K25 N = 122.328(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3462e-01 1.T26 CA = 62.121(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.6951e-01 1.T26 CB = 70.188(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.7872e-01 1.T26 CG2 = 21.536(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.8994e-01 1.T26 H = 8.599(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.6257e-01 1.T26 HA = 4.638(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.1076e-01 1.T26 HB = 4.035(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.8247e-01 1.T26 HG21 = 1.086(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1438e-01 1.T26 HG22 = 1.086(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1438e-01 1.T26 HG23 = 1.086(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1438e-01 1.T26 N = 115.884(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2218e-01 1.T27 CA = 60.188(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.3271e-01 1.T27 CB = 71.522(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.7160e-01 1.T27 CG2 = 21.487(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.5474e-01 1.T27 H = 7.797(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.7491e-01 1.T27 HA = 5.141(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.5597e-01 1.T27 HB = 3.97(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.4447e-01 1.T27 HG21 = 1.045(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7957e-01 1.T27 HG22 = 1.045(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7957e-01 1.T27 HG23 = 1.045(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7957e-01 1.T27 N = 116.187(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.7172e-01 1.A28 CA = 50.875(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5265e-01 1.A28 CB = 23.409(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.6225e-02 1.A28 H = 8.638(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6539e-01 1.A28 HA = 4.442(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.7914e-01 1.A28 HB1 = 1.003(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.8200e-01 1.A28 HB2 = 1.003(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.8200e-01 1.A28 HB3 = 1.003(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.8200e-01 1.A28 N = 123.18(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8873e-01 1.T29 CA = 61.254(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.0917e-01 1.T29 CB = 70.252(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.4878e-01 1.T29 CG2 = 21.559(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.9353e-01 1.T29 H = 8.751(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.0983e-01 1.T29 HA = 4.825(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.4701e-01 1.T29 HB = 3.597(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.2500e-02 1.T29 HG21 = 1.06(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2797e-01 1.T29 HG22 = 1.06(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2797e-01 1.T29 HG23 = 1.06(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2797e-01 1.T29 N = 115.313(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.8203e-01 1.D30 CA = 52.697(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.2621e-01 1.D30 CB = 41.748(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.9209e-01 1.D30 H = 9.187(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3052e-01 1.D30 HA = 5.152(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.9046e-02 1.D30 HB2 = 3.256(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.9252e-02 1.D30 HB3 = 2.366(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.9372e-01 1.D30 N = 125.402(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.1829e-01 1.I31 CA = 63.705(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.3438e-01 1.I31 CB = 39.029(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.4342e-01 1.I31 CG1 = 28.543(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.2001e-01 1.I31 CG2 = 16.484(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.4182e-01 1.I31 CD1 = 14.26(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.1918e-01 1.I31 H = 7.613(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.2665e-01 1.I31 HA = 3.678(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.7002e-01 1.I31 HB = 1.243(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.4066e-02 1.I31 HG12 = 0.675(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.3041e-01 1.I31 HG13 = 0.69(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.2265e-01 1.I31 HG21 = 0.744(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2329e-01 1.I31 HG22 = 0.744(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2329e-01 1.I31 HG23 = 0.744(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2329e-01 1.I31 HD11 = 0.074(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.6649e-02 1.I31 HD12 = 0.074(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.6649e-02 1.I31 HD13 = 0.074(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.6649e-02 1.I31 N = 116.897(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.8637e-01 1.K32 CA = 55.415(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8535e-01 1.K32 CB = 32.034(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7104e-01 1.K32 CG = 25.076(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.6926e-01 1.K32 CD = 28.316(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.5098e-01 1.K32 CE = 41.693(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.1014e-01 1.K32 H = 7.809(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2543e-01 1.K32 HA = 4.241(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4745e-01 1.K32 HB2 = 1.872(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.1287e-01 1.K32 HB3 = 1.872(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.2492e-01 1.K32 HG2 = 1.356(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.5706e-01 1.K32 HG3 = 1.232(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.7344e-01 1.K32 HD2 = 1.518(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.7581e-01 1.K32 HD3 = 1.518(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.0935e-01 1.K32 HE2 = 2.905(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.3707e-01 1.K32 HE3 = 2.905(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.8006e-01 1.K32 N = 120.657(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.1698e-01 1.G33 CA = 45.117(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6196e-01 1.G33 H = 8.069(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.8802e-01 1.G33 HA2 = 3.328(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.2717e-02 1.G33 HA3 = 4.11(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.7033e-01 1.G33 N = 108.491(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6063e-01 1.K34 CA = 54.865(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.4327e-01 1.K34 CB = 33.229(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0520e-01 1.K34 CG = 24.555(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.6688e-01 1.K34 CD = 28.596(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.3609e-01 1.K34 CE = 41.751(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.6539e-01 1.K34 H = 8.583(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1247e-01 1.K34 HA = 4.227(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2215e-01 1.K34 HB2 = 1.668(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.5415e-01 1.K34 HB3 = 1.619(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.5405e-01 1.K34 HG2 = 1.207(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.3071e-01 1.K34 HG3 = 1.063(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.0536e-01 1.K34 HD2 = 1.599(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.6012e-01 1.K34 HD3 = 1.551(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.2375e-01 1.K34 HE2 = 2.839(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6988e-01 1.K34 HE3 = 2.839(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.2259e-01 1.K34 N = 124.314(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8661e-01 1.E35 CA = 56.687(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6199e-01 1.E35 CB = 29.984(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.8794e-01 1.E35 CG = 36.811(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.5581e-01 1.E35 H = 8.384(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2708e-01 1.E35 HA = 4.691(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.8210e-01 1.E35 HB2 = 1.791(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.7550e-01 1.E35 HB3 = 1.791(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.8692e-01 1.E35 HG2 = 2(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.9854e-01 1.E35 HG3 = 2.106(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.1276e-01 1.E35 N = 124.266(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.0145e-01 1.V36 CA = 58.768(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9312e-01 1.V36 CB = 35.534(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1724e-01 1.V36 CG1 = 21.522(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.8123e-01 1.V36 CG2 = 18.402(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.6944e-02 1.V36 H = 9.067(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4617e-01 1.V36 HA = 4.703(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.7644e-01 1.V36 HB = 1.994(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.6510e-01 1.V36 HG11 = 0.659(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1074e-01 1.V36 HG12 = 0.659(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1074e-01 1.V36 HG13 = 0.659(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1074e-01 1.V36 HG21 = 0.517(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.1215e-01 1.V36 HG22 = 0.517(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.1215e-01 1.V36 HG23 = 0.517(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.1215e-01 1.V36 N = 119.346(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9273e-01 1.M37 CA = 54.396(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.4213e-01 1.M37 CB = 33.793(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.1998e-01 1.M37 CG = 31.895(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.2611e-01 1.M37 CE = 16.949(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.3896e-01 1.M37 H = 8.182(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9657e-01 1.M37 HA = 4.82(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.9301e-01 1.M37 HB2 = 1.882(D), Expected = 2.03, Std = 0.3400, ChiSquare = 6.6335e-01 1.M37 HB3 = 1.935(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.7149e-01 1.M37 HG2 = 2.357(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.5715e-01 1.M37 HG3 = 2.573(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.3010e-01 1.M37 HE1 = 1.989(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.2960e-01 1.M37 HE2 = 1.989(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.2960e-01 1.M37 HE3 = 1.989(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.2960e-01 1.M37 N = 119.403(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.4740e-01 1.V38 CA = 62.122(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9762e-01 1.V38 CB = 32.305(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1232e-01 1.V38 CG1 = 22.118(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.4425e-01 1.V38 CG2 = 22.23(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.3408e-01 1.V38 H = 8.114(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9279e-01 1.V38 HA = 3.757(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.5533e-01 1.V38 HB = 1.593(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.2652e-01 1.V38 HG11 = 0.835(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8466e-01 1.V38 HG12 = 0.835(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8466e-01 1.V38 HG13 = 0.835(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8466e-01 1.V38 HG21 = 0.404(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5728e-01 1.V38 HG22 = 0.404(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5728e-01 1.V38 HG23 = 0.404(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5728e-01 1.V38 N = 125.68(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1731e-01 1.L39 CA = 54.974(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.6167e-01 1.L39 CB = 41.168(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.4355e-01 1.L39 CG = 28.259(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.7877e-01 1.L39 CD1 = 24.627(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.5336e-01 1.L39 CD2 = 23.246(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.3625e-01 1.L39 H = 7.305(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5471e-01 1.L39 HA = 4.2(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9848e-01 1.L39 HB2 = 1.534(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.2312e-01 1.L39 HB3 = 1.534(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.6898e-01 1.L39 HG = 1.357(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.4291e-01 1.L39 HD11 = 0.679(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9983e-01 1.L39 HD12 = 0.679(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9983e-01 1.L39 HD13 = 0.679(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9983e-01 1.L39 HD21 = 0.717(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.6424e-01 1.L39 HD22 = 0.717(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.6424e-01 1.L39 HD23 = 0.717(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.6424e-01 1.L39 N = 126.554(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2875e-01 1.G40 CA = 45.267(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5061e-01 1.G40 H = 7.864(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7342e-01 1.G40 HA2 = 3.891(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3093e-01 1.G40 HA3 = 3.891(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.8059e-01 1.G40 N = 110.447(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4087e-01 1.E41 CA = 56.273(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1640e-01 1.E41 CB = 32.771(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0844e-01 1.E41 CG = 36.172(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.5845e-01 1.E41 H = 7.447(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3449e-01 1.E41 HA = 4.964(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1602e-02 1.E41 HB2 = 1.644(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.3378e-02 1.E41 HB3 = 1.644(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.3249e-01 1.E41 HG2 = 1.87(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.6811e-02 1.E41 HG3 = 1.87(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.4119e-02 1.E41 N = 113.018(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.7889e-02 1.V42 CA = 59.449(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8765e-01 1.V42 CB = 33.141(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1840e-01 1.V42 CG1 = 20.369(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.0979e-01 1.V42 CG2 = 21.208(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.7341e-01 1.V42 H = 8.375(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.9905e-01 1.V42 HA = 3.948(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.7650e-01 1.V42 HB = 0.944(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.2058e-03 1.V42 HG11 = 0.384(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6275e-02 1.V42 HG12 = 0.384(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6275e-02 1.V42 HG13 = 0.384(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6275e-02 1.V42 HG21 = 0.54(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5311e-01 1.V42 HG22 = 0.54(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5311e-01 1.V42 HG23 = 0.54(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5311e-01 1.V42 N = 118.659(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8474e-01 1.N43 CA = 51.975(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.0516e-01 1.N43 CB = 39.301(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1770e-01 1.N43 H = 7.936(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.2135e-01 1.N43 HA = 5.051(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.8990e-01 1.N43 HB2 = 2.638(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.7900e-01 1.N43 HB3 = 2.349(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.2431e-01 1.N43 HD21 = 6.546(D), Expected = 7.35, Std = 0.4800, ChiSquare = 9.3934e-02 1.N43 HD22 = 7.138(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.9674e-01 1.N43 N = 123.316(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.7645e-01 1.N43 ND2 = 110.303(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.7251e-01 1.I44 CA = 59.78(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.9471e-01 1.I44 CB = 39.281(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.4724e-01 1.I44 CG1 = 27.05(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.9442e-01 1.I44 CG2 = 17.804(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.4033e-01 1.I44 CD1 = 13.083(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.3540e-01 1.I44 H = 8.521(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2303e-01 1.I44 HA = 4.202(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.6866e-01 1.I44 HB = 1.589(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.1014e-01 1.I44 HG12 = 0.994(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.7461e-01 1.I44 HG13 = 1.226(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.3003e-01 1.I44 HG21 = 0.814(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7055e-01 1.I44 HG22 = 0.814(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7055e-01 1.I44 HG23 = 0.814(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7055e-01 1.I44 HD11 = 0.631(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6582e-01 1.I44 HD12 = 0.631(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6582e-01 1.I44 HD13 = 0.631(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6582e-01 1.I44 N = 124.182(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2479e-01 1.N45 CA = 54.605(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.7106e-01 1.N45 CB = 36.914(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.9331e-01 1.N45 H = 7.807(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.9754e-01 1.N45 HA = 4.627(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.0492e-01 1.N45 HB2 = 2.975(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.9455e-01 1.N45 HB3 = 2.708(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.9872e-01 1.N45 HD21 = 7.56(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.6175e-01 1.N45 HD22 = 6.879(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.9427e-01 1.N45 N = 116.913(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.1673e-01 1.N45 ND2 = 111.721(D), Expected = 112.75, Std = 2.2300, ChiSquare = 6.4449e-01 1.N46 CB = 37.472(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.7109e-01 1.N46 H = 8.36(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7467e-01 1.N46 HA = 4.289(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.8990e-01 1.N46 HB2 = 2.923(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.1547e-01 1.N46 HB3 = 2.923(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.0011e-01 1.N46 HD21 = 7.448(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.3822e-01 1.N46 HD22 = 6.795(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.8138e-01 1.N46 N = 111.164(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.3974e-02 1.N46 ND2 = 113.072(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.8519e-01 1.S47 CA = 57.987(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2326e-01 1.S47 CB = 64.244(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6418e-01 1.S47 H = 7.74(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6006e-01 1.S47 HA = 4.59(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.8332e-01 1.S47 HB2 = 3.654(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.6600e-01 1.S47 HB3 = 3.728(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.5138e-01 1.S47 N = 115.891(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1200e-01 1.V48 CA = 61.225(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.5827e-01 1.V48 CB = 33.206(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.9030e-01 1.V48 CG1 = 20.95(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.9132e-01 1.V48 CG2 = 21.531(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.6209e-01 1.V48 H = 8.133(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1473e-01 1.V48 HA = 4.563(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.2016e-01 1.V48 HB = 1.647(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.9805e-01 1.V48 HG11 = 0.625(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.3043e-01 1.V48 HG12 = 0.625(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.3043e-01 1.V48 HG13 = 0.625(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.3043e-01 1.V48 HG21 = 0.723(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8332e-01 1.V48 HG22 = 0.723(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8332e-01 1.V48 HG23 = 0.723(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8332e-01 1.V48 N = 123.129(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6131e-01 1.F49 CA = 55.704(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5522e-01 1.F49 CB = 41.717(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0863e-01 1.F49 H = 8.507(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.3822e-01 1.F49 HA = 4.749(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.3463e-01 1.F49 HB2 = 3.161(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.6346e-01 1.F49 HB3 = 2.96(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.4021e-01 1.F49 HD1 = 7.068(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.7941e-01 1.F49 HE1 = 6.893(D), Expected = 7.08, Std = 0.3100, ChiSquare = 5.4636e-01 1.F49 N = 121.621(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.7937e-01 1.K50 CA = 57.304(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7217e-01 1.K50 CG = 25.218(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.7161e-01 1.K50 CD = 28.73(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.3136e-01 1.K50 H = 8.381(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5023e-01 1.K50 HA = 4.45(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8247e-01 1.K50 HB2 = 2.097(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.0480e-01 1.K50 HB3 = 2.097(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.8609e-01 1.K50 HG2 = 1.46(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.2923e-01 1.K50 HG3 = 1.177(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.3667e-01 1.K50 HD2 = 1.626(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.4202e-01 1.K50 HD3 = 1.626(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.0592e-01 1.K50 HE2 = 2.836(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.5841e-01 1.K50 HE3 = 2.836(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.1138e-01 1.K50 N = 115.329(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2914e-01 1.Q51 CA = 54.374(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.0481e-01 1.Q51 CB = 30.707(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.0455e-01 1.Q51 CG = 33.275(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.6216e-01 1.Q51 H = 8.591(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.2947e-01 1.Q51 HA = 4.501(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9958e-01 1.Q51 HB2 = 1.988(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.0413e-01 1.Q51 HB3 = 2.048(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.2034e-01 1.Q51 HG2 = 2.355(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.9686e-01 1.Q51 HG3 = 2.211(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.8530e-01 1.Q51 HE21 = 8.282(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.0583e-02 1.Q51 HE22 = 7.34(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.6706e-01 1.Q51 N = 119.955(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8559e-01 1.Q51 NE2 = 112.634(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.5691e-01 1.Y52 CA = 57.334(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.5114e-01 1.Y52 CB = 39.293(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.9003e-01 1.Y52 H = 8.739(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.6599e-01 1.Y52 HA = 4.818(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.3709e-01 1.Y52 HB2 = 3.152(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.1308e-01 1.Y52 HB3 = 3.189(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.7086e-01 1.Y52 HD1 = 7(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.1550e-01 1.Y52 HE1 = 6.751(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.2452e-01 1.Y52 N = 124.99(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.8720e-01 1.F53 CA = 56.629(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.7235e-01 1.F53 CB = 41.144(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.8084e-01 1.F53 H = 8.809(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.3288e-01 1.F53 HA = 5.193(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.2329e-01 1.F53 HB2 = 2.762(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.2007e-01 1.F53 HB3 = 3.067(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.3197e-01 1.F53 HD1 = 7.254(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.3144e-01 1.F53 HE1 = 7.369(D), Expected = 7.08, Std = 0.3100, ChiSquare = 3.5120e-01 1.F53 HZ = 6.83(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.8565e-01 1.F53 N = 116.905(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.9639e-01 1.F54 CA = 56.831(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.2697e-01 1.F54 CB = 39.888(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.6108e-01 1.F54 H = 8.986(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8460e-01 1.F54 HA = 4.391(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.7500e-01 1.F54 HB2 = 2.747(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.9411e-01 1.F54 HB3 = 3.106(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.5994e-01 1.F54 HD1 = 5.853(S), Expected = 7.06, Std = 0.3100, ChiSquare = 9.8788e-05 1.F54 N = 127.265(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0302e-01 1.E55 CA = 55.183(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0655e-01 1.E55 CB = 33.031(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9021e-02 1.E55 CG = 37.385(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.8398e-01 1.E55 H = 8.378(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3516e-01 1.E55 HA = 4.758(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.1534e-01 1.E55 HB2 = 1.863(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.5469e-01 1.E55 HB3 = 1.564(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.4001e-02 1.E55 HG2 = 2.213(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.8606e-01 1.E55 HG3 = 2.079(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.3700e-01 1.E55 N = 127.316(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6163e-02 1.T56 CA = 60.878(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.0436e-01 1.T56 CB = 70.707(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.4892e-01 1.T56 CG2 = 21.873(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.7106e-01 1.T56 H = 7.559(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7204e-01 1.T56 HA = 4.793(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.8784e-01 1.T56 HB = 3.151(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.0159e-03 1.T56 HG21 = 0.706(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.9166e-02 1.T56 HG22 = 0.706(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.9166e-02 1.T56 HG23 = 0.706(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.9166e-02 1.T56 N = 120.277(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.0653e-01 1.K57 CA = 52.784(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.8274e-02 1.K57 CB = 33.108(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.5821e-01 1.K57 CG = 23.385(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.8291e-01 1.K57 CD = 28.562(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.1249e-01 1.K57 CE = 41.808(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.2034e-01 1.K57 H = 8.095(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7419e-01 1.K57 HA = 4.531(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5306e-01 1.K57 HB2 = 1.674(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.7157e-01 1.K57 HB3 = 1.674(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.0689e-01 1.K57 HG2 = 1.003(D), Expected = 1.37, Std = 0.2600, ChiSquare = 1.5809e-01 1.K57 HG3 = 1.262(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.5330e-01 1.K57 HD2 = 1.494(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.9800e-01 1.K57 HD3 = 1.494(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.2993e-01 1.K57 HE2 = 2.817(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.8775e-01 1.K57 HE3 = 2.714(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.2709e-01 1.K57 N = 117.998(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1820e-01 1.C58 CA = 54.172(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.1511e-01 1.C58 CB = 40.896(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.6191e-01 1.C58 H = 7.929(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.9142e-01 1.C58 HA = 4.534(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.1880e-01 1.C58 HB2 = 2.712(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.7300e-01 1.C58 HB3 = 2.473(D), Expected = 2.89, Std = 0.4600, ChiSquare = 3.6466e-01 1.C58 N = 116.528(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.3250e-01 1.R59 CB = 30.213(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.9015e-01 1.R59 CG = 26.943(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.2392e-01 1.R59 CD = 42.927(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.9118e-01 1.R59 HA = 4.639(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.6115e-01 1.R59 HB2 = 1.675(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.7016e-01 1.R59 HB3 = 1.773(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.6297e-01 1.R59 HG2 = 1.424(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.8869e-01 1.R59 HG3 = 1.424(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.8916e-01 1.R59 HD2 = 3.075(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.5127e-01 1.R59 HD3 = 3.075(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.2340e-01 1.D60 CA = 54.866(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3091e-01 1.D60 H = 7.957(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.4278e-01 1.D60 N = 121.192(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8833e-01 1.P61 CA = 63.77(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.7222e-01 1.P61 CB = 31.882(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.7837e-01 1.P61 CG = 27.011(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.8402e-01 1.P61 CD = 50.233(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.2997e-01 1.P61 HA = 4.62(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.0499e-01 1.P61 HB2 = 2.176(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.8386e-01 1.P61 HB3 = 2.176(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.2492e-01 1.P61 HG2 = 1.82(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.2271e-01 1.P61 HG3 = 1.82(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.0845e-01 1.P61 HD2 = 3.267(D), Expected = 3.65, Std = 0.3500, ChiSquare = 2.7383e-01 1.P61 HD3 = 3.605(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.8977e-01 1.N62 CA = 50.804(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.4558e-01 1.N62 H = 8.111(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.1624e-01 1.N62 HA = 4.223(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.1436e-01 1.N62 HB2 = 2.645(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.9455e-01 1.N62 HB3 = 2.645(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.5035e-01 1.N62 N = 118.794(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.7308e-01 1.P63 CA = 63.756(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.7928e-01 1.P63 CB = 31.879(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8039e-01 1.P63 CG = 27.647(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.6167e-01 1.P63 CD = 51.49(D), Expected = 50.32, Std = 0.9900, ChiSquare = 2.3728e-01 1.P63 HA = 4.771(D), Expected = 4.40, Std = 0.3300, ChiSquare = 2.6091e-01 1.P63 HB2 = 2.287(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.5423e-01 1.P63 HB3 = 1.889(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.5783e-01 1.P63 HG2 = 2.05(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.9868e-01 1.P63 HG3 = 2.05(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.4944e-01 1.P63 HD2 = 3.892(D), Expected = 3.65, Std = 0.3500, ChiSquare = 4.8930e-01 1.P63 HD3 = 3.892(D), Expected = 3.61, Std = 0.3900, ChiSquare = 4.6963e-01 1.V64 CA = 61.179(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4667e-01 1.V64 CB = 32.5(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.9776e-01 1.V64 CG1 = 21.631(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.1743e-01 1.V64 CG2 = 19.8(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.4933e-01 1.V64 H = 8.126(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.0663e-01 1.V64 HA = 4.137(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.2719e-01 1.V64 HB = 2.074(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.6895e-01 1.V64 HG11 = 0.775(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3247e-01 1.V64 HG12 = 0.775(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3247e-01 1.V64 HG13 = 0.775(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3247e-01 1.V64 HG21 = 0.672(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4757e-01 1.V64 HG22 = 0.672(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4757e-01 1.V64 HG23 = 0.672(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4757e-01 1.D65 CA = 55.049(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5963e-01 1.D65 CB = 40.441(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.8640e-01 1.D65 H = 8.042(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.4403e-01 1.D65 HA = 4.4(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.5268e-01 1.D65 HB2 = 2.548(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.0827e-01 1.D65 HB3 = 2.638(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.3737e-01 1.S66 CA = 58.697(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9113e-01 1.S66 CB = 63.527(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5365e-01 1.S66 HA = 4.649(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.7266e-01 1.S66 HB2 = 3.9(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.3624e-01 1.S66 HB3 = 3.9(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.5308e-01 1.G67 CA = 45.333(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8988e-01 1.G67 H = 7.702(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3397e-01 1.G67 HA2 = 4.227(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.8731e-01 1.G67 HA3 = 3.768(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.2127e-01 1.G67 N = 113.154(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6798e-01 1.C68 CA = 54.258(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.2482e-01 1.C68 CB = 42.811(D), Expected = 32.49, Std = 6.0100, ChiSquare = 8.5924e-02 1.C68 H = 8.375(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.8214e-01 1.C68 HA = 4.098(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.0687e-01 1.C68 HB2 = 3.085(D), Expected = 2.96, Std = 0.4400, ChiSquare = 7.7634e-01 1.C68 HB3 = 2.588(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.1149e-01 1.C68 N = 118.699(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.5122e-01 1.R69 CA = 57.368(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.9573e-01 1.R69 CB = 31.756(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.6391e-01 1.R69 CG = 27.033(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.8274e-01 1.R69 CD = 42.932(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.9556e-01 1.R69 H = 8.727(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2466e-01 1.R69 HA = 3.768(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.4747e-01 1.R69 HB2 = 1.806(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.5275e-01 1.R69 HB3 = 1.806(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.6951e-01 1.R69 HG2 = 1.35(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.1518e-01 1.R69 HG3 = 1.35(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.1236e-01 1.R69 HD2 = 3.317(D), Expected = 3.12, Std = 0.2400, ChiSquare = 4.1174e-01 1.R69 HD3 = 3.103(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.9079e-01 1.R69 N = 124.987(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.5522e-01 1.G70 CA = 44.698(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2656e-01 1.G70 H = 8.026(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4000e-01 1.G70 HA2 = 3.013(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6960e-03 1.G70 HA3 = 2.759(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.0439e-03 1.G70 N = 106.278(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.8077e-01 1.I71 CA = 57.525(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2745e-01 1.I71 CB = 36.249(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.3851e-01 1.I71 CG1 = 28.292(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.2902e-01 1.I71 CG2 = 18.268(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.8737e-01 1.I71 CD1 = 9.212(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.1545e-02 1.I71 H = 6.403(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7749e-03 1.I71 HA = 3.894(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.0955e-01 1.I71 HB = 1.655(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.6644e-01 1.I71 HG12 = 1.455(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.6175e-01 1.I71 HG13 = 0.956(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.6818e-01 1.I71 HG21 = 0.588(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0026e-01 1.I71 HG22 = 0.588(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0026e-01 1.I71 HG23 = 0.588(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0026e-01 1.I71 HD11 = 0.23(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.2073e-01 1.I71 HD12 = 0.23(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.2073e-01 1.I71 HD13 = 0.23(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.2073e-01 1.I71 N = 117.889(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0409e-01 1.D72 CA = 53.275(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.8578e-01 1.D72 CB = 41.158(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6375e-01 1.D72 H = 8.894(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.1398e-01 1.D72 HA = 4.777(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.5897e-01 1.D72 HB2 = 2.534(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.7437e-01 1.D72 HB3 = 2.308(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.0870e-01 1.D72 N = 123.957(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.9159e-01 1.S73 CA = 59.519(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.9950e-01 1.S73 CB = 63.494(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.3620e-01 1.S73 H = 8.225(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2573e-01 1.S73 HA = 4.756(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.9019e-01 1.S73 HB2 = 4.053(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.8894e-01 1.S73 HB3 = 3.88(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.1153e-01 1.S73 N = 124.333(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2150e-02 1.K74 CA = 58.45(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.9535e-01 1.K74 CB = 31.33(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.1209e-01 1.K74 CG = 24.472(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.1145e-01 1.K74 CD = 28.894(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.5127e-01 1.K74 CE = 41.94(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.5138e-01 1.K74 H = 7.955(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.9530e-01 1.K74 HA = 3.872(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6571e-01 1.K74 HB2 = 1.313(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.1762e-02 1.K74 HB3 = 1.561(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.0735e-01 1.K74 HG2 = 0.824(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.5729e-02 1.K74 HG3 = 1.065(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.0875e-01 1.K74 HD2 = 1.306(D), Expected = 1.61, Std = 0.2200, ChiSquare = 1.6703e-01 1.K74 HD3 = 1.306(D), Expected = 1.60, Std = 0.2200, ChiSquare = 1.8143e-01 1.K74 HE2 = 2.79(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.9384e-01 1.K74 HE3 = 2.79(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.4851e-01 1.K74 N = 120.535(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9134e-01 1.H75 CA = 56.86(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.8299e-01 1.H75 CB = 32.484(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.7834e-01 1.H75 H = 6.797(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.3833e-02 1.H75 HA = 4.371(D), Expected = 4.61, Std = 0.4300, ChiSquare = 5.7834e-01 1.H75 HB2 = 2.279(D), Expected = 3.10, Std = 0.3600, ChiSquare = 2.2575e-02 1.H75 HB3 = 2.279(D), Expected = 3.04, Std = 0.3800, ChiSquare = 4.5217e-02 1.H75 N = 111.768(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.7647e-02 1.W76 CA = 55.993(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.1820e-01 1.W76 CB = 32.505(D), Expected = 30.01, Std = 2.0100, ChiSquare = 2.1450e-01 1.W76 H = 7.648(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.1641e-01 1.W76 HA = 5.165(D), Expected = 4.68, Std = 0.5300, ChiSquare = 3.6014e-01 1.W76 HB2 = 3.156(D), Expected = 3.19, Std = 0.3500, ChiSquare = 9.2261e-01 1.W76 HB3 = 2.604(D), Expected = 3.12, Std = 0.3600, ChiSquare = 1.5176e-01 1.W76 HD1 = 6.818(D), Expected = 7.14, Std = 0.3600, ChiSquare = 3.7108e-01 1.W76 HE1 = 10.33(D), Expected = 10.08, Std = 0.6600, ChiSquare = 7.0485e-01 1.W76 HE3 = 6.7(D), Expected = 7.31, Std = 0.4100, ChiSquare = 1.3680e-01 1.W76 HZ2 = 7.192(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.8973e-01 1.W76 HH2 = 7.485(D), Expected = 6.98, Std = 0.3900, ChiSquare = 1.9536e-01 1.W76 N = 118.67(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.7147e-01 1.W76 NE1 = 128.166(D), Expected = 129.32, Std = 2.1100, ChiSquare = 5.8443e-01 1.N77 CA = 52.697(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.5386e-01 1.N77 CB = 39.251(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.3992e-01 1.N77 H = 9.191(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7676e-01 1.N77 HA = 4.973(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.9997e-01 1.N77 HB2 = 2.808(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.9485e-01 1.N77 HB3 = 2.689(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.5335e-01 1.N77 HD21 = 7.405(D), Expected = 7.35, Std = 0.4800, ChiSquare = 9.0878e-01 1.N77 HD22 = 6.99(D), Expected = 7.14, Std = 0.4900, ChiSquare = 7.5951e-01 1.N77 N = 121.227(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.6869e-01 1.N77 ND2 = 114.122(D), Expected = 112.75, Std = 2.2300, ChiSquare = 5.3839e-01 1.S78 CA = 57.881(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.8525e-01 1.S78 CB = 67.241(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.0072e-02 1.S78 H = 8.401(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3751e-01 1.S78 HA = 5.641(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.7020e-03 1.S78 HB2 = 3.858(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.2988e-01 1.S78 HB3 = 3.679(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.2652e-01 1.S78 N = 113.933(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.0492e-01 1.Y79 CA = 57.091(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.7891e-01 1.Y79 CB = 39.62(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.8954e-01 1.Y79 H = 8.268(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.4321e-01 1.Y79 HA = 4.696(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.0618e-01 1.Y79 HB2 = 3.168(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.8562e-01 1.Y79 HB3 = 2.915(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.4750e-01 1.Y79 HD1 = 6.708(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.5930e-01 1.Y79 HE1 = 6.491(D), Expected = 6.70, Std = 0.2300, ChiSquare = 3.6351e-01 1.Y79 N = 114.597(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.5847e-01 1.C80 CA = 54.612(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.6807e-01 1.C80 CB = 42.875(D), Expected = 32.49, Std = 6.0100, ChiSquare = 8.3997e-02 1.C80 H = 9.059(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.1803e-01 1.C80 HA = 5.186(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.3889e-01 1.C80 HB2 = 2.859(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.1844e-01 1.C80 HB3 = 3.141(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.8530e-01 1.C80 N = 119.177(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.3054e-01 1.T81 CA = 60.358(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.7219e-01 1.T81 CB = 70.875(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.8240e-01 1.T81 CG2 = 19.21(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.5022e-02 1.T81 H = 9.465(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8177e-02 1.T81 HA = 4.671(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.6024e-01 1.T81 HB = 3.879(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.7788e-01 1.T81 HG21 = 0.869(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.3869e-01 1.T81 HG22 = 0.869(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.3869e-01 1.T81 HG23 = 0.869(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.3869e-01 1.T81 N = 119.862(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.4971e-01 1.T82 CA = 62.452(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.2862e-01 1.T82 CB = 70.391(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.8509e-01 1.T82 CG2 = 22.887(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.2839e-01 1.T82 H = 7.854(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3356e-01 1.T82 HA = 5.255(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.7671e-02 1.T82 HB = 4.003(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.1281e-01 1.T82 HG21 = 1.251(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2937e-01 1.T82 HG22 = 1.251(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2937e-01 1.T82 HG23 = 1.251(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2937e-01 1.T82 N = 121.319(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1428e-01 1.T83 CA = 59.953(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.8142e-01 1.T83 CB = 70.192(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.7684e-01 1.T83 CG2 = 22.104(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.1771e-01 1.T83 H = 8.36(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4653e-01 1.T83 HA = 4.497(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.3856e-01 1.T83 HB = 3.961(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.2652e-01 1.T83 HG21 = 0.863(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.2846e-01 1.T83 HG22 = 0.863(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.2846e-01 1.T83 HG23 = 0.863(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.2846e-01 1.T83 N = 117.526(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.5750e-01 1.H84 CA = 55.761(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.4248e-01 1.H84 CB = 31.403(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.7423e-01 1.H84 H = 7.496(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.7390e-01 1.H84 HA = 5.526(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.3152e-02 1.H84 HB2 = 2.833(D), Expected = 3.10, Std = 0.3600, ChiSquare = 4.5829e-01 1.H84 HB3 = 2.623(D), Expected = 3.04, Std = 0.3800, ChiSquare = 2.7248e-01 1.H84 HD2 = 5.888(D), Expected = 7.00, Std = 0.4300, ChiSquare = 9.7084e-03 1.H84 HE1 = 7.889(D), Expected = 7.95, Std = 0.4800, ChiSquare = 8.9887e-01 1.H84 N = 116.617(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.4234e-01 1.T85 CA = 58.826(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.9005e-01 1.T85 CB = 70.377(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.9142e-01 1.T85 CG2 = 19.765(D), Expected = 21.55, Std = 1.1100, ChiSquare = 1.0781e-01 1.T85 H = 8.704(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5423e-01 1.T85 HA = 4.331(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.8812e-01 1.T85 HB = 3.937(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.8015e-01 1.T85 HG1 = 6.419(D), Expected = 4.92, Std = 1.5800, ChiSquare = 3.4276e-01 1.T85 HG21 = 1.088(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2113e-01 1.T85 HG22 = 1.088(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2113e-01 1.T85 HG23 = 1.088(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2113e-01 1.T85 N = 114.252(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.0576e-01 1.F86 CA = 55.993(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.1676e-01 1.F86 CB = 42.937(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.5853e-01 1.F86 H = 7.518(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4222e-01 1.F86 HA = 5.853(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.1904e-02 1.F86 HB2 = 2.746(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.9241e-01 1.F86 HB3 = 2.252(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.0075e-02 1.F86 HD1 = 6.078(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.5363e-03 1.F86 HE1 = 6.727(D), Expected = 7.08, Std = 0.3100, ChiSquare = 2.5482e-01 1.F86 N = 118.215(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.9286e-01 1.V87 CA = 59.693(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2809e-01 1.V87 CB = 35.566(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1311e-01 1.V87 CG1 = 22.192(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.0573e-01 1.V87 CG2 = 20.316(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.4509e-01 1.V87 H = 9.26(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4768e-01 1.V87 HA = 5.001(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.6203e-01 1.V87 HB = 2.353(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.4377e-01 1.V87 HG11 = 1.345(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7617e-02 1.V87 HG12 = 1.345(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7617e-02 1.V87 HG13 = 1.345(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7617e-02 1.V87 HG21 = 1.124(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4721e-01 1.V87 HG22 = 1.124(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4721e-01 1.V87 HG23 = 1.124(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4721e-01 1.V87 N = 117.414(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1181e-01 1.K88 CA = 54.616(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8873e-01 1.K88 CB = 33.166(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3270e-01 1.K88 CG = 24.605(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.0088e-01 1.K88 CD = 28.443(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.3215e-01 1.K88 CE = 42.012(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.8173e-01 1.K88 H = 7.816(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.3307e-01 1.K88 HA = 4.485(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.2510e-01 1.K88 HB2 = 2.244(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.3454e-02 1.K88 HB3 = 1.941(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.5661e-01 1.K88 HG2 = 1.276(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.1770e-01 1.K88 HG3 = 1.276(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.9156e-01 1.K88 HD2 = 1.648(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.6287e-01 1.K88 HD3 = 1.648(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.2729e-01 1.K88 HE2 = 2.84(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.7372e-01 1.K88 HE3 = 2.84(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.2634e-01 1.K88 N = 118.647(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2386e-01 1.A89 CA = 51.599(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3640e-01 1.A89 CB = 19.131(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4728e-01 1.A89 H = 8.07(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2847e-01 1.A89 HA = 4.242(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.6737e-01 1.A89 HB1 = 1.25(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.0052e-01 1.A89 HB2 = 1.25(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.0052e-01 1.A89 HB3 = 1.25(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.0052e-01 1.A89 N = 124.512(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1724e-01 1.L90 CA = 54.866(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.2335e-01 1.L90 CB = 41.662(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.3033e-01 1.L90 CG = 26.949(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.7790e-01 1.L90 CD1 = 26.398(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.9127e-01 1.L90 CD2 = 20.885(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.2636e-02 1.L90 H = 7.444(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2657e-01 1.L90 HA = 4.775(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3300e-01 1.L90 HB2 = 1.823(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.3101e-01 1.L90 HB3 = 1.582(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.6326e-01 1.L90 HG = 1.11(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.2547e-01 1.L90 HD11 = 0.63(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L90 HD12 = 0.63(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L90 HD13 = 0.63(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L90 HD21 = 0.128(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7907e-02 1.L90 HD22 = 0.128(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7907e-02 1.L90 HD23 = 0.128(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7907e-02 1.L90 N = 117.242(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3637e-01 1.T91 CA = 59.494(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9257e-01 1.T91 CB = 71.786(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.0718e-01 1.T91 CG2 = 22.118(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.0885e-01 1.T91 H = 8.6(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.6148e-01 1.T91 HA = 5.132(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.6151e-01 1.T91 HB = 4.012(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.3209e-01 1.T91 HG21 = 0.877(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.5284e-01 1.T91 HG22 = 0.877(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.5284e-01 1.T91 HG23 = 0.877(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.5284e-01 1.M92 CA = 54.634(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.0805e-01 1.M92 CB = 34.58(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.7782e-01 1.M92 CG = 31.97(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.7427e-01 1.M92 CE = 16.6(D), Expected = 17.07, Std = 1.5800, ChiSquare = 7.6611e-01 1.M92 H = 8.753(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.1127e-01 1.M92 HA = 4.798(D), Expected = 4.41, Std = 0.4800, ChiSquare = 4.1890e-01 1.M92 HB2 = 1.633(D), Expected = 2.03, Std = 0.3400, ChiSquare = 2.4295e-01 1.M92 HB3 = 1.633(D), Expected = 1.99, Std = 0.3400, ChiSquare = 2.9372e-01 1.M92 HG2 = 2.274(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.7657e-01 1.M92 HG3 = 2.274(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.6017e-01 1.M92 HE1 = 1.932(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.2725e-01 1.M92 HE2 = 1.932(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.2725e-01 1.M92 HE3 = 1.932(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.2725e-01 1.M92 N = 118.369(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.2975e-01 1.D93 CA = 53.864(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.8408e-01 1.D93 CB = 40.867(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9360e-01 1.D93 H = 7.626(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3827e-01 1.D93 HA = 4.5(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.7852e-01 1.D93 HB2 = 2.76(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.7773e-01 1.D93 HB3 = 2.76(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.2098e-01 1.D93 N = 125.137(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4506e-01 1.G94 CA = 45.295(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6726e-01 1.G94 H = 7.943(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5159e-01 1.G94 HA2 = 3.779(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.0570e-01 1.G94 HA3 = 3.779(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.4365e-01 1.G94 N = 105.545(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8647e-01 1.K95 CA = 55.733(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.8014e-01 1.K95 CB = 31.306(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.0445e-01 1.K95 CG = 24.13(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.0122e-01 1.K95 CD = 28.731(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.3208e-01 1.K95 CE = 42.344(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.7981e-01 1.K95 H = 8.423(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.9777e-01 1.K95 HA = 4.685(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.4559e-01 1.K95 HB2 = 1.98(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.2371e-01 1.K95 HB3 = 1.731(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.7341e-01 1.K95 HG2 = 1.234(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.0092e-01 1.K95 HG3 = 1.234(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.7866e-01 1.K95 HD2 = 1.409(D), Expected = 1.61, Std = 0.2200, ChiSquare = 3.6091e-01 1.K95 HD3 = 1.409(D), Expected = 1.60, Std = 0.2200, ChiSquare = 3.8530e-01 1.K95 HE2 = 3.007(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.4703e-01 1.K95 HE3 = 2.798(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.7548e-01 1.K95 N = 117.49(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4502e-01 1.Q96 CA = 55.578(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.4297e-01 1.Q96 CB = 30.724(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.9931e-01 1.Q96 CG = 33.194(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.1011e-01 1.Q96 H = 8.613(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.0535e-01 1.Q96 HA = 4.265(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9093e-01 1.Q96 HB2 = 2.016(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.9182e-01 1.Q96 HB3 = 1.97(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.5827e-01 1.Q96 HG2 = 2.207(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.7557e-01 1.Q96 HG3 = 2.207(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.7472e-01 1.Q96 HE21 = 7.481(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.9227e-01 1.Q96 HE22 = 6.776(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.7921e-01 1.Q96 N = 118.327(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6417e-01 1.Q96 NE2 = 112.065(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.0974e-01 1.A97 CA = 51.085(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9933e-01 1.A97 CB = 19.142(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4250e-01 1.A97 H = 8.742(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6635e-01 1.A97 HA = 4.514(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.6376e-01 1.A97 HB1 = 1.102(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4016e-01 1.A97 HB2 = 1.102(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4016e-01 1.A97 HB3 = 1.102(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4016e-01 1.A97 N = 130.613(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7016e-02 1.A98 CA = 51.442(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9113e-01 1.A98 CB = 22.089(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2469e-02 1.A98 H = 8.982(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9246e-01 1.A98 HA = 5.103(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.5377e-02 1.A98 HB1 = 1.176(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.0335e-01 1.A98 HB2 = 1.176(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.0335e-01 1.A98 HB3 = 1.176(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.0335e-01 1.A98 N = 123.58(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2124e-01 1.W99 CB = 31.196(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.5516e-01 1.W99 H = 8.207(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.1633e-01 1.W99 HA = 4.547(D), Expected = 4.68, Std = 0.5300, ChiSquare = 8.0186e-01 1.W99 HB2 = 2.849(D), Expected = 3.19, Std = 0.3500, ChiSquare = 3.2991e-01 1.W99 HB3 = 2.988(D), Expected = 3.12, Std = 0.3600, ChiSquare = 7.1387e-01 1.W99 HD1 = 7.073(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.5236e-01 1.W99 HE1 = 10.035(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.4564e-01 1.W99 HE3 = 7.3(D), Expected = 7.31, Std = 0.4100, ChiSquare = 9.8054e-01 1.W99 HZ2 = 7.02(D), Expected = 7.28, Std = 0.3300, ChiSquare = 4.3077e-01 1.W99 HZ3 = 6.784(D), Expected = 6.86, Std = 0.4000, ChiSquare = 8.4931e-01 1.W99 HH2 = 7.428(D), Expected = 6.98, Std = 0.3900, ChiSquare = 2.5067e-01 1.W99 N = 117.92(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.6838e-01 1.W99 NE1 = 129.18(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.4710e-01 1.R100 CA = 56.873(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.6444e-01 1.R100 CB = 30.169(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.7169e-01 1.R100 CG = 27.101(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.2763e-01 1.R100 CD = 42.354(D), Expected = 43.16, Std = 0.8800, ChiSquare = 3.5971e-01 1.R100 H = 7.714(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8853e-01 1.R100 HA = 3.98(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.8665e-01 1.R100 HB2 = 1.666(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.4605e-01 1.R100 HB3 = 1.629(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.3989e-01 1.R100 HG2 = 1.428(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.9894e-01 1.R100 HG3 = 1.322(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.5222e-01 1.R100 HD2 = 2.679(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.6136e-02 1.R100 HD3 = 2.679(D), Expected = 3.10, Std = 0.2600, ChiSquare = 1.0540e-01 1.R100 N = 124.515(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.1273e-01 1.F101 CA = 60.523(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4182e-01 1.F101 CB = 39.948(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.8397e-01 1.F101 H = 9.506(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1146e-01 1.F101 HA = 4.746(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.3874e-01 1.F101 HB2 = 2.804(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.9630e-01 1.F101 HB3 = 2.804(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.5276e-01 1.F101 HD1 = 7.111(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6932e-01 1.F101 HE1 = 7.219(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.5387e-01 1.F101 N = 120.346(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.8015e-01 1.I102 CA = 58.941(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1930e-01 1.I102 CB = 41.74(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.2366e-01 1.I102 CG1 = 24.67(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.0370e-02 1.I102 CG2 = 17.719(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.8947e-01 1.I102 CD1 = 13.707(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.6826e-01 1.I102 H = 9.315(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.2799e-01 1.I102 HA = 5.022(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.3269e-01 1.I102 HB = 1.473(D), Expected = 1.78, Std = 0.2900, ChiSquare = 2.8977e-01 1.I102 HG12 = 1.198(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.3757e-01 1.I102 HG13 = 0.984(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.1536e-01 1.I102 HG21 = 0.449(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3448e-01 1.I102 HG22 = 0.449(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3448e-01 1.I102 HG23 = 0.449(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3448e-01 1.I102 HD11 = -0.069(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.8014e-03 1.I102 HD12 = -0.069(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.8014e-03 1.I102 HD13 = -0.069(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.8014e-03 1.I102 N = 116.028(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0438e-01 1.R103 CA = 55.552(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9800e-01 1.R103 CB = 32.96(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.1684e-01 1.R103 CG = 26.883(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8524e-01 1.R103 CD = 42.252(D), Expected = 43.16, Std = 0.8800, ChiSquare = 3.0216e-01 1.R103 H = 8.438(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.4549e-01 1.R103 HA = 4.523(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.2783e-01 1.R103 HB2 = 1.641(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.8105e-01 1.R103 HB3 = 1.511(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.7385e-01 1.R103 HG2 = 1.302(D), Expected = 1.57, Std = 0.2700, ChiSquare = 3.2091e-01 1.R103 HG3 = 1.302(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.1182e-01 1.R103 HD2 = 2.6(D), Expected = 3.12, Std = 0.2400, ChiSquare = 3.0260e-02 1.R103 HD3 = 2.6(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.4470e-02 1.R103 N = 121.927(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.5941e-01 1.I104 CA = 57.662(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4071e-01 1.I104 CB = 41.01(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.3871e-01 1.I104 CG1 = 26.514(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.7652e-01 1.I104 CG2 = 17.354(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.9703e-01 1.I104 CD1 = 11.856(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.4593e-01 1.I104 H = 8.233(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4490e-01 1.I104 HA = 4.506(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.6047e-01 1.I104 HB = 1.824(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.7940e-01 1.I104 HG12 = 1.076(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.1005e-01 1.I104 HG13 = 1.39(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.2569e-01 1.I104 HG21 = 0.724(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6472e-01 1.I104 HG22 = 0.724(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6472e-01 1.I104 HG23 = 0.724(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6472e-01 1.I104 HD11 = 0.551(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5644e-01 1.I104 HD12 = 0.551(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5644e-01 1.I104 HD13 = 0.551(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5644e-01 1.I104 N = 122.169(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6843e-01 1.D105 CA = 55.992(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.2128e-01 1.D105 CB = 40.426(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.7929e-01 1.D105 H = 8.735(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.6371e-01 1.D105 HA = 4.53(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5127e-01 1.D105 HB2 = 2.276(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.7693e-02 1.D105 HB3 = 2.726(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.1365e-01 1.D105 N = 128.167(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.1486e-02 1.T106 CA = 60.511(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.0935e-01 1.T106 CB = 73.455(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.2297e-02 1.T106 CG2 = 21.664(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.1820e-01 1.T106 H = 9.137(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.4796e-01 1.T106 HA = 5(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.6059e-01 1.T106 HB = 3.836(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.1148e-01 1.T106 HG21 = 0.833(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8195e-01 1.T106 HG22 = 0.833(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8195e-01 1.T106 HG23 = 0.833(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8195e-01 1.T106 N = 115.873(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2402e-01 1.A107 CA = 51.846(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1341e-01 1.A107 CB = 21.607(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.5586e-01 1.A107 H = 7.4(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8242e-01 1.A107 HA = 3.858(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.6091e-01 1.A107 HB1 = 0.837(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8487e-02 1.A107 HB2 = 0.837(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8487e-02 1.A107 HB3 = 0.837(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8487e-02 1.A107 N = 121.942(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1598e-01 1.C108 CA = 54.873(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.0342e-01 1.C108 CB = 40.949(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.5928e-01 1.C108 H = 8.338(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.3814e-01 1.C108 HA = 4.985(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.5458e-01 1.C108 HB2 = 3.104(D), Expected = 2.96, Std = 0.4400, ChiSquare = 7.4346e-01 1.C108 HB3 = 2.689(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.6214e-01 1.C108 N = 119.731(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.2462e-01 1.V109 CA = 59.075(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3246e-01 1.V109 CB = 34.905(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.2433e-01 1.V109 CG1 = 21.752(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.4724e-01 1.V109 CG2 = 18.438(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.0455e-02 1.V109 H = 9.227(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6196e-01 1.V109 HA = 4.5(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.9301e-01 1.V109 HB = 2.135(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.2812e-01 1.V109 HG11 = 0.863(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.9900e-01 1.V109 HG12 = 0.863(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.9900e-01 1.V109 HG13 = 0.863(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.9900e-01 1.V109 HG21 = 0.517(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.1215e-01 1.V109 HG22 = 0.517(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.1215e-01 1.V109 HG23 = 0.517(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.1215e-01 1.V109 N = 121.054(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8489e-01 1.C110 CA = 54.444(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.4688e-01 1.C110 CB = 42.212(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.0574e-01 1.C110 H = 7.7(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.0308e-01 1.C110 HA = 4.775(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.3438e-01 1.C110 HB2 = 2.787(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.9418e-01 1.C110 HB3 = 2.927(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.3589e-01 1.V111 CA = 61.204(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.5296e-01 1.V111 CB = 33.154(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1276e-01 1.V111 CG1 = 20.364(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.0770e-01 1.V111 CG2 = 21.437(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.0966e-01 1.V111 H = 8.85(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.0326e-01 1.V111 HA = 4.101(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.7804e-01 1.V111 HB = 0.9(S), Expected = 1.98, Std = 0.3200, ChiSquare = 7.3816e-04 1.V111 HG11 = 0.326(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2567e-02 1.V111 HG12 = 0.326(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2567e-02 1.V111 HG13 = 0.326(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2567e-02 1.V111 HG21 = 0.56(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V111 HG22 = 0.56(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V111 HG23 = 0.56(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V111 N = 130.812(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3139e-02 1.L112 CA = 53.131(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4259e-01 1.L112 CG = 26.387(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.2089e-01 1.L112 CD1 = 24.041(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.6935e-01 1.L112 CD2 = 22.853(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.8136e-01 1.L112 H = 8.39(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0556e-01 1.L112 HA = 5.069(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.1102e-01 1.L112 HB2 = 1.096(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.3059e-01 1.L112 HB3 = 1.309(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.5780e-01 1.L112 HG = 0.96(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.5581e-02 1.L112 HD11 = -0.512(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5706e-06 1.L112 HD12 = -0.512(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5706e-06 1.L112 HD13 = -0.512(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5706e-06 1.L112 HD21 = 0.191(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3081e-02 1.L112 HD22 = 0.191(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3081e-02 1.L112 HD23 = 0.191(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3081e-02 1.L112 N = 121.762(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7995e-01 1.S113 CA = 57.681(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.1571e-01 1.S113 CB = 65.397(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.8056e-01 1.S113 H = 8.513(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9291e-01 1.S113 HA = 4.84(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.6812e-01 1.S113 HB2 = 3.822(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.1654e-01 1.S113 HB3 = 3.822(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.1740e-01 1.S113 N = 111.205(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.4937e-01 1.R114 CA = 57.295(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2021e-01 1.R114 CB = 30.352(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.4918e-01 1.R114 CG = 27.03(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.8076e-01 1.R114 CD = 42.966(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.2552e-01 1.R114 H = 9.304(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.1113e-02 1.R114 HA = 4.001(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.1569e-01 1.R114 HB2 = 1.36(D), Expected = 1.79, Std = 0.2700, ChiSquare = 1.1125e-01 1.R114 HB3 = 1.616(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.0705e-01 1.R114 HG2 = 1.004(D), Expected = 1.57, Std = 0.2700, ChiSquare = 3.6056e-02 1.R114 HG3 = 1.004(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.4563e-02 1.R114 HD2 = 2.67(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.0793e-02 1.R114 HD3 = 2.357(D), Expected = 3.10, Std = 0.2600, ChiSquare = 4.2673e-03 1.R114 N = 125.698(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8320e-01 1.K115 CA = 57.295(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7539e-01 1.K115 CB = 33.246(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9781e-01 1.K115 CG = 25.769(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.3664e-01 1.K115 CD = 28.885(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.4464e-01 1.K115 H = 7.646(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.6458e-01 1.K115 HA = 4.231(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2937e-01 1.K115 HB2 = 1.232(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.8380e-02 1.K115 HB3 = 1.486(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.4684e-01 1.K115 HG2 = 1.011(D), Expected = 1.37, Std = 0.2600, ChiSquare = 1.6735e-01 1.K115 HG3 = 1.095(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.6245e-01 1.K115 HD2 = 1.244(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.6185e-02 1.K115 HD3 = 1.244(D), Expected = 1.60, Std = 0.2200, ChiSquare = 1.0562e-01 1.K115 HE2 = 3.019(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.0233e-01 1.K115 HE3 = 2.747(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.1507e-01 1.K115 N = 122.358(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2863e-01 1.A116 CA = 52.061(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.8579e-01 1.A116 CB = 21.549(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.6531e-01 1.A116 H = 8.235(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5348e-01 1.A116 HA = 4.074(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.7249e-01 1.A116 HB1 = 1.168(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8393e-01 1.A116 HB2 = 1.168(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8393e-01 1.A116 HB3 = 1.168(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8393e-01 1.A116 N = 125.885(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5325e-01 1.V117 CA = 62.268(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3813e-01 1.V117 CB = 32.543(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.1680e-01 1.V117 CG1 = 20.809(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.1656e-01 1.V117 H = 8.007(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7274e-01 1.V117 HA = 3.959(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.9043e-01 1.V117 HB = 1.929(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.7337e-01 1.V117 HG11 = 0.767(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0854e-01 1.V117 HG12 = 0.767(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0854e-01 1.V117 HG13 = 0.767(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0854e-01 1.V117 HG21 = 0.43(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8636e-01 1.V117 HG22 = 0.43(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8636e-01 1.V117 HG23 = 0.43(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8636e-01 1.V117 N = 120.162(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2944e-01 1.R118 CA = 57.295(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2021e-01 1.R118 CB = 31.465(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.7592e-01 1.R118 CG = 26.983(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.4996e-01 1.R118 CD = 43.069(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.1764e-01 1.R118 H = 7.766(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.3713e-01 1.R118 HA = 3.955(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.5325e-01 1.R118 HB2 = 1.725(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.0976e-01 1.R118 HB3 = 1.632(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.4757e-01 1.R118 HG2 = 1.395(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.1689e-01 1.R118 HG3 = 1.484(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.4688e-01 1.R118 HD2 = 3.023(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.8609e-01 1.R118 HD3 = 3.023(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.6711e-01 1.R118 N = 129.017(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.5557e-02