Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V2 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.E88 1.E88 H Shift Assignments>> H :: 8.442(D) HA :: 4.106(D) HB :: 2.007(D) HG11 :: 0.897(D) HG12 :: 0.897(D) HG13 :: 0.897(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 :: 119.953(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.19 L 0.13 N 0.1 H 0.08 A 0.08 Q 0.07 R 0.07 K 0.06 C 0.05 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.718(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 :: 8.338(D) HA :: 4.342(D) HB2 :: 1.563(D) HD11 :: 0.893(D) HD12 :: 0.893(D) HD13 :: 0.893(D) HD21 :: 0.884(D) HD22 :: 0.884(D) HD23 :: 0.884(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 :: 126.484(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D4 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.432(D) HA :: 4.674(D) HB2 :: 2.884(D) HB3 :: 2.750(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 :: 120.807(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.14 H 0.09 Q 0.09 R 0.08 K 0.07 N 0.07 C 0.06 A 0.05 E 0.05 F 0.04 Y 0.04 S 0.01 C Shift Assignments>> CA :: 55.112(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 :: 8.179(D) HA :: 4.274(D) HB2 :: 1.564(D) HD11 :: 0.882(D) HD12 :: 0.882(D) HD13 :: 0.882(D) HD21 :: 0.840(D) HD22 :: 0.840(D) HD23 :: 0.840(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 :: 122.910(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.25 D 0.13 L 0.07 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.020(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 :: 8.333(D) HA :: 4.661(D) HB2 :: 2.880(D) HB3 :: 2.762(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 :: 119.562(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 V 0.22 I 0.2 P 0.11 S 0.06 C 0.06 F 0.02 Y 0.02 C Shift Assignments>> CA :: 62.187(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 :: 7.874(D) HA :: 4.107(D) HB :: 2.068(D) HG11 :: 0.879(D) HG12 :: 0.879(D) HG13 :: 0.879(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 :: 119.724(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R8 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.306(D) HA :: 4.378(D) HB2 :: 1.730(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 :: 123.721(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.T9 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.832(D) HA :: 5.012(D) HB :: 4.097(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 :: 113.933(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C10 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.997(D) HA :: 4.564(D) HB2 :: 2.952(D) HB3 :: 2.878(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 :: 127.524(D) Ave N Shift Values>> N :: 120.17(4.64) 1.L11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P12 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.694(D) HB2 :: 2.410(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.C13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.19 L 0.12 N 0.12 A 0.1 H 0.08 Q 0.07 R 0.06 K 0.05 C 0.05 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.530(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.876(D) HA :: 4.776(D) HB2 :: 3.210(D) HB3 :: 3.102(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 :: 113.375(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.483(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.463(D) HA2 :: 3.694(D) HA3 :: 3.474(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.870(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.02 C Shift Assignments>> CA :: 63.790(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 :: 4.311(D) HB2 :: 2.291(D) HG2 :: 2.086(D) HG3 :: 1.985(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.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.160(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.098(D) HA2 :: 3.910(D) HA3 :: 4.319(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.862(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G17 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.376(D) HA2 :: 3.907(D) HA3 :: 3.380(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.315(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.12 H 0.12 R 0.12 K 0.11 E 0.09 L 0.08 C 0.07 F 0.07 Y 0.06 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.611(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 :: 7.297(D) HA :: 4.294(D) HB2 :: 2.069(D) HB3 :: 1.806(D) HG2 :: 1.565(D) HG3 :: 1.451(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 :: 114.685(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G19 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.461(D) HA2 :: 4.547(D) HA3 :: 3.293(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.967(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 A 0.19 D 0.16 L 0.09 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.774(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 :: 9.152(D) HA :: 5.196(D) HB2 :: 1.765(D) HB3 :: 1.615(D) HG2 :: 1.741(D) HG3 :: 1.497(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 :: 118.900(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.C21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.12 Q 0.12 R 0.11 L 0.11 K 0.1 E 0.08 C 0.07 D 0.06 F 0.06 Y 0.06 S 0.03 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.183(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.635(D) HA :: 5.452(D) HB2 :: 3.087(D) HB3 :: 2.982(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 :: 121.367(D) Ave N Shift Values>> N :: 120.17(4.64) 1.F22 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.951(D) HA :: 4.325(D) HB2 :: 3.056(D) HB3 :: 2.909(D) HD1 :: 7.228(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 :: 125.732(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G23 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.065(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.765(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I26 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.223(D) HA :: 5.097(D) HG13 :: 0.808(D) HG21 :: 1.202(D) HG22 :: 1.202(D) HG23 :: 1.202(D) HD11 :: 0.733(D) HD12 :: 0.733(D) HD13 :: 0.733(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 :: 117.706(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.17 A 0.14 L 0.11 H 0.07 Q 0.06 R 0.06 C 0.04 K 0.04 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.156(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.001(D) HA :: 5.574(D) HB2 :: 3.019(D) HB3 :: 2.928(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 :: 128.036(D) Ave N Shift Values>> N :: 120.17(4.64) 1.C28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 D 0.12 H 0.1 Q 0.09 R 0.09 K 0.08 C 0.06 E 0.06 N 0.05 F 0.04 Y 0.04 A 0.04 S 0.01 C Shift Assignments>> CA :: 55.390(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.305(D) HA :: 6.386(D) HB2 :: 3.034(D) HB3 :: 2.546(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 :: 124.199(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.204(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.743(D) HA2 :: 4.975(D) HA3 :: 3.970(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.830(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.12 K 0.11 R 0.1 H 0.09 Q 0.09 C 0.09 F 0.09 Y 0.09 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.216(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 :: 9.198(D) HA :: 4.414(D) HB2 :: 2.898(D) HB3 :: 2.897(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 :: 122.916(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 H 0.11 Q 0.1 R 0.1 D 0.09 K 0.08 E 0.06 C 0.06 F 0.05 Y 0.05 N 0.03 A 0.03 S 0.02 C Shift Assignments>> CA :: 55.716(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 :: 8.913(D) HA :: 4.524(D) HB2 :: 1.969(D) HB3 :: 2.465(D) HG2 :: 2.897(D) HG3 :: 2.321(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 :: 115.253(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 D 0.11 H 0.1 Q 0.1 R 0.09 K 0.08 C 0.06 E 0.06 F 0.05 Y 0.04 N 0.04 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.510(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 :: 7.368(D) HA :: 4.410(D) HB2 :: 1.673(D) HB3 :: 1.602(D) HG :: 1.212(D) HD11 :: 0.963(D) HD12 :: 0.963(D) HD13 :: 0.963(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 :: 118.176(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G33 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.861(D) HA2 :: 3.963(D) HA3 :: 3.300(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.849(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 H 0.11 Q 0.1 R 0.1 D 0.09 K 0.08 E 0.06 C 0.06 F 0.05 Y 0.05 N 0.03 A 0.03 S 0.02 C Shift Assignments>> CA :: 55.713(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.281(D) HA :: 5.338(D) HB2 :: 2.503(D) HB3 :: 2.319(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 :: 114.254(D) Ave N Shift Values>> N :: 120.17(4.64) 1.F35 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.491(D) HA :: 4.432(D) HB2 :: 2.753(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 :: 123.432(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.15 C 0.13 S 0.11 T 0.11 V 0.1 F 0.09 Y 0.09 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 P 0.01 C Shift Assignments>> CA :: 60.241(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 :: 8.963(D) HA :: 4.739(D) HB :: 1.801(D) HG11 :: 0.390(D) HG12 :: 0.390(D) HG13 :: 0.390(D) HG21 :: 0.515(D) HG22 :: 0.515(D) HG23 :: 0.515(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 :: 124.365(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G37 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.335(D) HA2 :: 3.935(D) HA3 :: 3.792(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.046(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T38 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.496(D) HG1 :: 4.988(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.A39 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.122(D) HA :: 4.000(D) HB1 :: 1.388(D) HB2 :: 1.388(D) HB3 :: 1.388(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.085(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.15 C 0.14 Y 0.12 F 0.12 E 0.07 K 0.06 R 0.05 I 0.05 H 0.04 Q 0.04 V 0.03 T 0.03 L 0.01 C Shift Assignments>> CA :: 58.996(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 :: 8.545(D) HA :: 3.852(D) HB2 :: 2.082(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 :: 114.678(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.37 A 0.26 N 0.17 D 0.06 L 0.03 C 0.02 H 0.01 R 0.01 C Shift Assignments>> CA :: 51.115(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.480(D) HA :: 4.325(D) HB1 :: 1.204(D) HB2 :: 1.204(D) HB3 :: 1.204(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.857(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.14 Y 0.13 F 0.13 S 0.11 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.05 I 0.03 L 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.279(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 :: 7.370(D) HA :: 4.124(D) HB2 :: 1.766(D) HB3 :: 1.671(D) HG :: 1.532(D) HD11 :: 0.891(D) HD12 :: 0.891(D) HD13 :: 0.891(D) HD21 :: 0.820(D) HD22 :: 0.820(D) HD23 :: 0.820(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 :: 121.363(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R43 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.195(D) HA :: 4.389(D) HB2 :: 1.857(D) HB3 :: 1.857 HG2 :: 1.854(D) HG3 :: 1.854 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 :: 116.955(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.C44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 A 0.18 D 0.16 L 0.1 H 0.06 R 0.05 Q 0.05 C 0.04 K 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.835(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.849(D) HA :: 4.654(D) HB2 :: 3.026(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 :: 115.418(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Q45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.13 F 0.13 C 0.13 S 0.1 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.110(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 :: 7.707(D) HA :: 4.283(D) HB2 :: 2.475(D) HB3 :: 2.182(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 :: 121.018(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E46 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.E47 1.E47 H Shift Assignments>> H :: 8.113(D) HA :: 4.647(D) HB2 :: 1.960(D) HG2 :: 2.246(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 :: 119.005(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E47 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.E46 1.E46 H Shift Assignments>> H :: 8.062(D) HA :: 4.316(D) HB2 :: 2.062(D) HB3 :: 1.881(D) HG2 :: 2.392(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 :: 118.930(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N48 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.082(D) HA :: 4.591(D) HB2 :: 2.642(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 :: 118.062(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y49 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.924(D) HA :: 4.284(D) HB2 :: 3.065(D) HB3 :: 2.878(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 :: 118.701(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L50 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.370(D) HA :: 4.375(D) HD11 :: 0.882(D) HD12 :: 0.882(D) HD13 :: 0.882(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 :: 124.100(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.22 T 0.2 P 0.18 I 0.16 S 0.13 C 0.04 F 0.01 Y 0.01 C Shift Assignments>> CA :: 62.840(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 :: 4.392(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.C54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 H 0.11 Q 0.1 R 0.1 D 0.09 K 0.09 E 0.06 C 0.06 F 0.05 Y 0.05 N 0.03 A 0.02 S 0.02 C Shift Assignments>> CA :: 55.740(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.340(D) HA :: 4.500(D) HB2 :: 3.912(D) HB3 :: 3.792(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 :: 115.447(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Q55 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.094(D) HA :: 4.401(D) HB2 :: 2.241(D) HB3 :: 1.950(D) HG2 :: 2.906(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 :: 119.279(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.15 C 0.14 Y 0.12 F 0.12 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.04 I 0.04 V 0.02 T 0.02 L 0.02 C Shift Assignments>> CA :: 58.731(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.206(D) HA :: 4.309(D) HB2 :: 3.740(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 :: 117.341(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G57 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.543(D) HA2 :: 3.968(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.549(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.14 H 0.09 Q 0.09 R 0.08 K 0.07 N 0.07 C 0.06 A 0.05 E 0.05 F 0.04 Y 0.04 S 0.01 HN Overlap>> 1.S92 1.S92 C Shift Assignments>> CA :: 55.137(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 :: 7.901(D) HA :: 4.434(D) HB2 :: 1.963(D) HG2 :: 2.437(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 :: 118.916(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K59 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.647(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 :: 124.484(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P60 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.850(D) HB2 :: 2.323(D) HB3 :: 1.946(D) HG2 :: 1.764(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.C61 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.871(D) HA :: 4.674(D) HB2 :: 3.067(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 :: 116.009(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.360(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.657(D) HA2 :: 3.811(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.670(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S63 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.643(D) HA :: 4.594(D) HB2 :: 3.742(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 :: 119.174(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G64 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.478(D) HA2 :: 4.102(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 :: 111.360(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G65 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.806(D) HA2 :: 4.590(D) HA3 :: 3.575(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.292(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R66 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.692(D) HA :: 5.119(D) HB2 :: 1.767(D) HG2 :: 1.629(D) HG3 :: 1.635(D) HD2 :: 3.074(D) HE :: 7.201(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 :: 118.630(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.C67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.18 A 0.14 L 0.11 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.094(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.063(D) HA :: 5.024(D) HB2 :: 3.026(D) HB3 :: 2.848(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 :: 122.470(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A68 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Duplicate H Shift Assignments>> H :: 8.122(D) HB1 :: 0.353(S) HB2 :: 0.353(S) HB3 :: 0.353(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.546(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A69 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.906(D) HA :: 4.250(D) HB1 :: 1.221(D) HB2 :: 1.221(D) HB3 :: 1.221(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.769(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.19 L 0.12 N 0.12 A 0.1 H 0.08 Q 0.07 R 0.06 K 0.05 C 0.05 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.537(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.424(D) HA :: 4.023(D) HB1 :: 1.324(D) HB2 :: 1.324(D) HB3 :: 1.324(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.333(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.109(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.865(D) HA2 :: 4.047(D) HA3 :: 3.591(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.852(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 C 0.13 T 0.13 V 0.12 S 0.1 F 0.09 Y 0.09 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 P 0.01 C Shift Assignments>> CA :: 60.493(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 :: 7.914(D) HA :: 4.267(D) HG12 :: 1.289(D) HD11 :: 0.515(D) HD12 :: 0.515(D) HD13 :: 0.515(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 :: 120.846(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.17 A 0.14 L 0.11 H 0.07 Q 0.06 R 0.06 C 0.04 K 0.04 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.156(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.693(D) HA :: 5.008(D) HB2 :: 2.931(D) HB3 :: 2.195(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 :: 126.726(D) Ave N Shift Values>> N :: 120.17(4.64) 1.C74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.12 Q 0.12 R 0.11 K 0.1 L 0.1 E 0.08 C 0.07 F 0.06 Y 0.06 D 0.05 S 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.300(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.055(D) HA :: 5.828(D) HB2 :: 3.076(D) HB3 :: 2.390(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 :: 124.970(D) Ave N Shift Values>> N :: 120.17(4.64) 1.S75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P76 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.381(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.D77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.35 N 0.25 D 0.11 P 0.06 L 0.05 C 0.03 H 0.03 R 0.02 Q 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 51.934(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 :: 7.724(D) HA :: 4.725(D) HB2 :: 2.841(D) HB3 :: 2.688(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 :: 109.490(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.470(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.702(D) HA2 :: 4.470(D) HA3 :: 3.788(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.039(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C79 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.109(D) HA :: 5.807(D) HB2 :: 2.897(D) HB3 :: 2.674(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 :: 115.752(D) Ave N Shift Values>> N :: 120.17(4.64) 1.H80 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.168(D) HA :: 5.229(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 :: 116.971(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.3 N 0.25 D 0.13 L 0.07 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.170(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 :: 8.904(D) HA :: 4.539(D) HB2 :: 2.128(D) HB3 :: 1.988(D) HG2 :: 3.266(S) HG3 :: 3.138(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.037(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.47 A 0.22 N 0.14 D 0.05 L 0.02 C 0.02 H 0.01 C Shift Assignments>> CA :: 50.917(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 :: 8.449(D) HA :: 5.002(D) HB2 :: 2.542(D) HB3 :: 2.310(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 :: 122.374(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.24 S 0.22 V 0.19 T 0.16 I 0.12 C 0.03 C Shift Assignments>> CA :: 63.510(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 :: 4.366(D) HB2 :: 2.036(D) HB3 :: 2.370(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.A84 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.375(D) HA :: 4.202(D) HB1 :: 1.355(D) HB2 :: 1.355(D) HB3 :: 1.355(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.488(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.23 P 0.15 D 0.09 L 0.04 C 0.03 H 0.02 R 0.01 Q 0.01 K 0.01 C Shift Assignments>> CA :: 51.590(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.908(D) HA :: 4.999(D) HB2 :: 3.472(D) HB3 :: 2.453(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 :: 112.382(D) Ave N Shift Values>> N :: 120.17(4.64) 1.D86 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.065(D) HA :: 4.797(D) HB2 :: 2.974(D) HB3 :: 2.928(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 :: 125.174(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P87 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.398(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.E88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.12 Q 0.12 R 0.11 L 0.11 K 0.1 E 0.08 C 0.07 F 0.06 D 0.06 Y 0.06 S 0.03 N 0.02 A 0.01 HN Overlap>> 1.V2 1.V2 C Shift Assignments>> CA :: 56.190(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 :: 8.359(D) HA :: 4.129(D) HB2 :: 2.048(D) HB3 :: 1.949(D) HG2 :: 2.442(D) HG3 :: 2.290(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 :: 119.924(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A89 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.118(D) HA :: 4.186(D) HB1 :: 1.322(D) HB2 :: 1.322(D) HB3 :: 1.322(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.437(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A90 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.045(D) HA :: 4.215(D) HB1 :: 1.317(D) HB2 :: 1.317(D) HB3 :: 1.317(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.662(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.12 K 0.12 Q 0.11 H 0.11 E 0.1 C 0.08 F 0.07 Y 0.07 L 0.07 S 0.04 D 0.03 C Shift Assignments>> CA :: 56.840(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 :: 7.769(D) HA :: 4.746(D) HB2 :: 3.023(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 :: 117.228(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S92 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.Q58 1.Q58 H Shift Assignments>> H :: 7.920(D) HB2 :: 3.856(D) HB3 :: 3.788(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.919(D) Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 7 #Clerical: 83 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 43 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 49 Shift Relative Order (SRO) Results: #Consistent: 92 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 43 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 348 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 77 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V2 H = 8.442(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2053e-01 1.V2 HA = 4.106(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.8485e-01 1.V2 HB = 2.007(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.3276e-01 1.V2 HG11 = 0.897(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.9664e-01 1.V2 HG12 = 0.897(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.9664e-01 1.V2 HG13 = 0.897(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.9664e-01 1.V2 N = 119.953(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9374e-01 1.L3 CA = 54.718(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7195e-01 1.L3 H = 8.338(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6804e-01 1.L3 HA = 4.342(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6267e-01 1.L3 HB2 = 1.563(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.9005e-01 1.L3 HD11 = 0.893(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0955e-01 1.L3 HD12 = 0.893(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0955e-01 1.L3 HD13 = 0.893(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0955e-01 1.L3 HD21 = 0.884(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9539e-01 1.L3 HD22 = 0.884(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9539e-01 1.L3 HD23 = 0.884(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9539e-01 1.L3 N = 126.484(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3576e-01 1.D4 H = 8.432(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3340e-01 1.D4 HA = 4.674(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.9294e-01 1.D4 HB2 = 2.884(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.2819e-01 1.D4 HB3 = 2.750(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.4789e-01 1.D4 N = 120.807(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6756e-01 1.L5 CA = 55.112(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1150e-01 1.L5 H = 8.179(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3746e-01 1.L5 HA = 4.274(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.2203e-01 1.L5 HB2 = 1.564(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.9238e-01 1.L5 HD11 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L5 HD12 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L5 HD13 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L5 HD21 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L5 HD22 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L5 HD23 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L5 N = 122.910(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8775e-01 1.D6 CA = 53.020(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1070e-01 1.D6 H = 8.333(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6837e-01 1.D6 HA = 4.661(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.2441e-01 1.D6 HB2 = 2.880(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.3830e-01 1.D6 HB3 = 2.762(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.1564e-01 1.D6 N = 119.562(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7805e-01 1.V7 CA = 62.187(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1563e-01 1.V7 H = 7.874(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.3467e-01 1.V7 HA = 4.107(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.8621e-01 1.V7 HB = 2.068(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.8332e-01 1.V7 HG11 = 0.879(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5051e-01 1.V7 HG12 = 0.879(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5051e-01 1.V7 HG13 = 0.879(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5051e-01 1.V7 N = 119.724(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5512e-01 1.R8 H = 8.306(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.1384e-01 1.R8 HA = 4.378(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.6535e-01 1.R8 HB2 = 1.730(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.2414e-01 1.R8 N = 123.721(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2734e-01 1.T9 H = 7.832(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.1050e-01 1.T9 HA = 5.012(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.5014e-01 1.T9 HB = 4.097(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.2493e-01 1.T9 N = 113.933(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5424e-01 1.C10 H = 7.997(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.5749e-01 1.C10 HA = 4.564(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.6144e-01 1.C10 HB2 = 2.952(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.8549e-01 1.C10 HB3 = 2.878(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.7919e-01 1.C10 N = 127.524(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.1299e-01 1.P12 HA = 4.694(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.7298e-01 1.P12 HB2 = 2.410(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.4575e-01 1.C13 CA = 54.530(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.5758e-01 1.C13 H = 7.876(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.4298e-01 1.C13 HA = 4.776(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.3296e-01 1.C13 HB2 = 3.210(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.6991e-01 1.C13 HB3 = 3.102(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.4489e-01 1.C13 N = 113.375(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.4307e-01 1.G14 CA = 44.483(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.1762e-01 1.G14 H = 8.463(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3787e-01 1.G14 HA2 = 3.694(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.5570e-01 1.G14 HA3 = 3.474(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.4959e-01 1.G14 N = 105.870(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2614e-01 1.P15 CA = 63.790(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.6217e-01 1.P15 HA = 4.311(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.8739e-01 1.P15 HB2 = 2.291(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.4660e-01 1.P15 HG2 = 2.086(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.1481e-01 1.P15 HG3 = 1.985(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.9673e-01 1.G16 CA = 46.160(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.4553e-01 1.G16 H = 9.098(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.3739e-01 1.G16 HA2 = 3.910(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7118e-01 1.G16 HA3 = 4.319(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.5745e-01 1.G16 N = 114.862(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7972e-01 1.G17 H = 8.376(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4358e-01 1.G17 HA2 = 3.907(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.6480e-01 1.G17 HA3 = 3.380(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.5990e-01 1.G17 N = 108.315(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2624e-01 1.K18 CA = 56.611(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7754e-01 1.K18 H = 7.297(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3666e-01 1.K18 HA = 4.294(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.5650e-01 1.K18 HB2 = 2.069(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.4768e-01 1.K18 HB3 = 1.806(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.0689e-01 1.K18 HG2 = 1.565(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.5325e-01 1.K18 HG3 = 1.451(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.1831e-01 1.K18 N = 114.685(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.1348e-02 1.G19 H = 8.461(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4028e-01 1.G19 HA2 = 4.547(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.1889e-01 1.G19 HA3 = 3.293(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.0089e-01 1.G19 N = 107.967(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5990e-01 1.R20 CA = 53.774(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.9464e-01 1.R20 H = 9.152(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.3489e-01 1.R20 HA = 5.196(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.1436e-02 1.R20 HB2 = 1.765(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.2623e-01 1.R20 HB3 = 1.615(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.0456e-01 1.R20 HG2 = 1.741(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.2652e-01 1.R20 HG3 = 1.497(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.8213e-01 1.R20 N = 118.900(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.0564e-01 1.C21 CA = 56.183(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.2495e-01 1.C21 H = 8.635(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.1461e-01 1.C21 HA = 5.452(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.4987e-01 1.C21 HB2 = 3.087(D), Expected = 2.96, Std = 0.4400, ChiSquare = 7.7286e-01 1.C21 HB3 = 2.982(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.4148e-01 1.C21 N = 121.367(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.9643e-01 1.F22 H = 8.951(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1174e-01 1.F22 HA = 4.325(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.9259e-01 1.F22 HB2 = 3.056(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.7970e-01 1.F22 HB3 = 2.909(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.5813e-01 1.F22 HD1 = 7.228(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.8786e-01 1.F22 N = 125.732(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.0636e-01 1.G23 H = 8.065(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.8350e-01 1.G23 N = 106.765(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5287e-01 1.I26 H = 7.223(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.2009e-01 1.I26 HA = 5.097(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.0153e-01 1.I26 HG13 = 0.808(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.5149e-01 1.I26 HG21 = 1.202(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0960e-01 1.I26 HG22 = 1.202(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0960e-01 1.I26 HG23 = 1.202(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0960e-01 1.I26 HD11 = 0.733(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.5499e-01 1.I26 HD12 = 0.733(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.5499e-01 1.I26 HD13 = 0.733(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.5499e-01 1.I26 N = 117.706(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8043e-01 1.C27 CA = 54.156(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.1334e-01 1.C27 H = 9.001(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.6180e-01 1.C27 HA = 5.574(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.6549e-02 1.C27 HB2 = 3.019(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.9333e-01 1.C27 HB3 = 2.928(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.3416e-01 1.C27 N = 128.036(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.0026e-02 1.C28 CA = 55.390(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.8219e-01 1.C28 H = 9.305(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.7204e-01 1.C28 HA = 6.386(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.7000e-03 1.C28 HB2 = 3.034(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.6644e-01 1.C28 HB3 = 2.546(D), Expected = 2.89, Std = 0.4600, ChiSquare = 4.5457e-01 1.C28 N = 124.199(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.8522e-01 1.G29 CA = 45.204(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1324e-01 1.G29 H = 8.743(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2518e-01 1.G29 HA2 = 4.975(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.6033e-03 1.G29 HA3 = 3.970(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4994e-01 1.G29 N = 106.830(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6304e-01 1.D30 CA = 57.216(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1338e-01 1.D30 H = 9.198(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.2576e-01 1.D30 HA = 4.414(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.8232e-01 1.D30 HB2 = 2.898(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.9359e-01 1.D30 HB3 = 2.897(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.9731e-01 1.D30 N = 122.916(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5717e-01 1.E31 CA = 55.716(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4281e-01 1.E31 H = 8.913(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2309e-01 1.E31 HA = 4.524(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.0395e-01 1.E31 HB2 = 1.969(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.0812e-01 1.E31 HB3 = 2.465(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.8902e-02 1.E31 HG2 = 2.897(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.8292e-03 1.E31 HG3 = 2.321(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.4690e-01 1.E31 N = 115.253(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1956e-01 1.L32 CA = 55.510(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5881e-01 1.L32 H = 7.368(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8479e-01 1.L32 HA = 4.410(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.4814e-01 1.L32 HB2 = 1.673(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.5300e-01 1.L32 HB3 = 1.602(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.1982e-01 1.L32 HG = 1.212(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.6651e-01 1.L32 HD11 = 0.963(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.4683e-01 1.L32 HD12 = 0.963(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.4683e-01 1.L32 HD13 = 0.963(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.4683e-01 1.L32 N = 118.176(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4486e-01 1.G33 H = 7.861(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7058e-01 1.G33 HA2 = 3.963(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.8491e-01 1.G33 HA3 = 3.300(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.0488e-01 1.G33 N = 103.849(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3255e-01 1.C34 CA = 55.713(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.3723e-01 1.C34 H = 8.281(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.7077e-01 1.C34 HA = 5.338(D), Expected = 4.66, Std = 0.5500, ChiSquare = 2.1768e-01 1.C34 HB2 = 2.503(D), Expected = 2.96, Std = 0.4400, ChiSquare = 2.9897e-01 1.C34 HB3 = 2.319(D), Expected = 2.89, Std = 0.4600, ChiSquare = 2.1449e-01 1.C34 N = 114.254(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.0231e-01 1.F35 H = 9.491(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1622e-01 1.F35 HA = 4.432(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.2831e-01 1.F35 HB2 = 2.753(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.0441e-01 1.F35 N = 123.432(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.7560e-01 1.V36 CA = 60.241(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.3165e-01 1.V36 H = 8.963(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1515e-01 1.V36 HA = 4.739(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.4387e-01 1.V36 HB = 1.801(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.7591e-01 1.V36 HG11 = 0.390(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0587e-02 1.V36 HG12 = 0.390(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0587e-02 1.V36 HG13 = 0.390(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0587e-02 1.V36 HG21 = 0.515(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0875e-01 1.V36 HG22 = 0.515(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0875e-01 1.V36 HG23 = 0.515(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0875e-01 1.V36 N = 124.365(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7749e-01 1.G37 H = 9.335(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2207e-01 1.G37 HA2 = 3.935(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.2464e-01 1.G37 HA3 = 3.792(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.7037e-01 1.G37 N = 111.046(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2217e-01 1.T38 HA = 4.496(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.4021e-01 1.T38 HG1 = 4.988(D), Expected = 4.92, Std = 1.5800, ChiSquare = 9.6567e-01 1.A39 H = 9.122(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2437e-01 1.A39 HA = 4.000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.5458e-01 1.A39 HB1 = 1.388(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8380e-01 1.A39 HB2 = 1.388(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8380e-01 1.A39 HB3 = 1.388(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8380e-01 1.A39 N = 124.085(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0915e-01 1.E40 CA = 58.996(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.2260e-01 1.E40 H = 8.545(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.1555e-01 1.E40 HA = 3.852(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.3168e-01 1.E40 HB2 = 2.082(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.6781e-01 1.E40 N = 114.678(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5099e-02 1.A41 CA = 51.115(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0644e-01 1.A41 H = 7.480(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3014e-01 1.A41 HA = 4.325(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.8256e-01 1.A41 HB1 = 1.204(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7443e-01 1.A41 HB2 = 1.204(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7443e-01 1.A41 HB3 = 1.204(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7443e-01 1.A41 N = 117.857(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2907e-01 1.L42 CA = 58.279(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1190e-01 1.L42 H = 7.370(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8581e-01 1.L42 HA = 4.124(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7666e-01 1.L42 HB2 = 1.766(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.4636e-01 1.L42 HB3 = 1.671(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.7489e-01 1.L42 HG = 1.532(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.4685e-01 1.L42 HD11 = 0.891(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1456e-01 1.L42 HD12 = 0.891(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1456e-01 1.L42 HD13 = 0.891(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1456e-01 1.L42 HD21 = 0.820(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L42 HD22 = 0.820(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L42 HD23 = 0.820(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L42 N = 121.363(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9860e-01 1.R43 H = 8.195(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.4119e-01 1.R43 HA = 4.389(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.4658e-01 1.R43 HB2 = 1.857(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.0402e-01 1.R43 HG2 = 1.854(D), Expected = 1.57, Std = 0.2700, ChiSquare = 2.9287e-01 1.R43 N = 116.955(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.9610e-01 1.C44 CA = 53.835(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.7997e-01 1.C44 H = 7.849(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.1940e-01 1.C44 HA = 4.654(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.9130e-01 1.C44 HB2 = 3.026(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.8076e-01 1.C44 N = 115.418(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.0577e-01 1.Q45 CA = 58.110(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.7176e-01 1.Q45 H = 7.707(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.8458e-01 1.Q45 HA = 4.283(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.7643e-01 1.Q45 HB2 = 2.475(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.9131e-02 1.Q45 HB3 = 2.182(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.6288e-01 1.Q45 N = 121.018(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.5403e-01 1.E46 H = 8.113(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.1302e-01 1.E46 HA = 4.647(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.3290e-01 1.E46 HB2 = 1.960(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.7510e-01 1.E46 HG2 = 2.246(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.0901e-01 1.E46 N = 119.005(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3233e-01 1.E47 H = 8.062(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4966e-01 1.E47 HA = 4.316(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.7211e-01 1.E47 HB2 = 2.062(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.4148e-01 1.E47 HB3 = 1.881(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.3556e-01 1.E47 HG2 = 2.392(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.6127e-01 1.E47 N = 118.930(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.1707e-01 1.N48 H = 8.082(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.8216e-01 1.N48 HA = 4.591(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.2630e-01 1.N48 HB2 = 2.642(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.8786e-01 1.N48 N = 118.062(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2947e-01 1.Y49 H = 7.924(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.8750e-01 1.Y49 HA = 4.284(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.3667e-01 1.Y49 HB2 = 3.065(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.7528e-01 1.Y49 HB3 = 2.878(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.2238e-01 1.Y49 N = 118.701(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.6495e-01 1.L50 H = 8.370(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2947e-01 1.L50 HA = 4.375(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0684e-01 1.L50 HD11 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L50 HD12 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L50 HD13 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L50 N = 124.100(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6572e-01 1.P53 CA = 62.840(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.4717e-01 1.P53 HA = 4.392(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.8066e-01 1.C54 CA = 55.740(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.4203e-01 1.C54 H = 8.340(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.4051e-01 1.C54 HA = 4.500(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.7112e-01 1.C54 HB2 = 3.912(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.0492e-02 1.C54 HB3 = 3.792(D), Expected = 2.89, Std = 0.4600, ChiSquare = 4.9894e-02 1.C54 N = 115.447(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.0873e-01 1.Q55 H = 8.094(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.3089e-01 1.Q55 HA = 4.401(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6591e-01 1.Q55 HB2 = 2.241(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.4487e-01 1.Q55 HB3 = 1.950(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.0259e-01 1.Q55 HG2 = 2.906(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.9979e-02 1.Q55 N = 119.279(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6523e-01 1.S56 CA = 58.731(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9576e-01 1.S56 H = 8.206(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.0019e-01 1.S56 HA = 4.309(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.6901e-01 1.S56 HB2 = 3.740(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.7548e-01 1.S56 N = 117.341(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6309e-01 1.G57 H = 8.543(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4314e-01 1.G57 HA2 = 3.968(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.9569e-01 1.G57 N = 110.549(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2032e-01 1.Q58 CA = 55.137(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.0310e-01 1.Q58 H = 7.901(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8873e-01 1.Q58 HA = 4.434(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0935e-01 1.Q58 HB2 = 1.963(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.2784e-01 1.Q58 HG2 = 2.437(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.6477e-01 1.Q58 N = 118.916(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.8673e-01 1.K59 H = 8.647(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.4626e-01 1.K59 N = 124.484(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.6236e-01 1.P60 HA = 4.850(D), Expected = 4.40, Std = 0.3300, ChiSquare = 1.7268e-01 1.P60 HB2 = 2.323(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.8750e-01 1.P60 HB3 = 1.946(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.8076e-01 1.P60 HG2 = 1.764(D), Expected = 1.93, Std = 0.3100, ChiSquare = 5.9232e-01 1.C61 H = 7.871(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.3856e-01 1.C61 HA = 4.674(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.7969e-01 1.C61 HB2 = 3.067(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.0786e-01 1.C61 N = 116.009(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.6984e-01 1.G62 CA = 46.360(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.5101e-01 1.G62 H = 8.657(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.1491e-01 1.G62 HA2 = 3.811(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.6739e-01 1.G62 N = 108.670(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9610e-01 1.S63 H = 8.643(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.3839e-01 1.S63 HA = 4.594(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.7564e-01 1.S63 HB2 = 3.742(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.8095e-01 1.S63 N = 119.174(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.1099e-01 1.G64 H = 8.478(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1989e-01 1.G64 HA2 = 4.102(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.2127e-01 1.G64 HA3 = 3.891(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.8059e-01 1.G64 N = 111.360(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6233e-01 1.G65 H = 7.806(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2015e-01 1.G65 HA2 = 4.590(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3802e-02 1.G65 HA3 = 3.575(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.7974e-01 1.G65 N = 107.292(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3890e-01 1.R66 H = 8.692(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.5870e-01 1.R66 HA = 5.119(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.5005e-02 1.R66 HB2 = 1.767(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.3211e-01 1.R66 HG2 = 1.629(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.2703e-01 1.R66 HG3 = 1.635(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.4322e-01 1.R66 HD2 = 3.074(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.4800e-01 1.R66 HE = 7.201(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.5210e-01 1.R66 N = 118.630(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.5541e-01 1.C67 CA = 54.094(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.0657e-01 1.C67 H = 9.063(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.1515e-01 1.C67 HA = 5.024(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.0809e-01 1.C67 HB2 = 3.026(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.8076e-01 1.C67 HB3 = 2.848(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.2725e-01 1.C67 N = 122.470(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.2011e-01 1.A68 H = 8.122(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9657e-01 1.A68 HB1 = 0.353(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2576e-04 1.A68 HB2 = 0.353(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2576e-04 1.A68 HB3 = 0.353(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2576e-04 1.A68 N = 130.546(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8766e-02 1.A69 H = 7.906(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2413e-01 1.A69 HA = 4.250(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8187e-01 1.A69 HB1 = 1.221(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A69 HB2 = 1.221(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A69 HB3 = 1.221(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A69 N = 115.769(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5063e-02 1.A70 CA = 54.537(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8046e-01 1.A70 H = 8.424(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0890e-01 1.A70 HA = 4.023(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.9014e-01 1.A70 HB1 = 1.324(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.A70 HB2 = 1.324(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.A70 HB3 = 1.324(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.A70 N = 123.333(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.7679e-01 1.G71 CA = 46.109(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.7111e-01 1.G71 H = 7.865(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7437e-01 1.G71 HA2 = 4.047(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3514e-01 1.G71 HA3 = 3.591(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.0364e-01 1.G71 N = 111.852(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7287e-01 1.I72 CA = 60.493(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.7683e-01 1.I72 H = 7.914(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.9041e-01 1.I72 HA = 4.267(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.7654e-01 1.I72 HG12 = 1.289(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.8205e-01 1.I72 HD11 = 0.515(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6938e-01 1.I72 HD12 = 0.515(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6938e-01 1.I72 HD13 = 0.515(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6938e-01 1.I72 N = 120.846(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.8593e-01 1.C73 CA = 54.156(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.1334e-01 1.C73 H = 8.693(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.5110e-01 1.C73 HA = 5.008(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.2691e-01 1.C73 HB2 = 2.931(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.4745e-01 1.C73 HB3 = 2.195(D), Expected = 2.89, Std = 0.4600, ChiSquare = 1.3082e-01 1.C73 N = 126.726(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.5768e-01 1.C74 CA = 56.300(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.4811e-01 1.C74 H = 9.055(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2094e-01 1.C74 HA = 5.828(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.3701e-02 1.C74 HB2 = 3.076(D), Expected = 2.96, Std = 0.4400, ChiSquare = 7.9206e-01 1.C74 HB3 = 2.390(D), Expected = 2.89, Std = 0.4600, ChiSquare = 2.7706e-01 1.C74 N = 124.970(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.0091e-01 1.P76 HA = 4.381(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.5409e-01 1.D77 CA = 51.934(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7458e-01 1.D77 H = 7.724(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.1233e-01 1.D77 HA = 4.725(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.7312e-01 1.D77 HB2 = 2.841(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.4166e-01 1.D77 HB3 = 2.688(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.2034e-01 1.D77 N = 109.490(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.8378e-03 1.G78 CA = 46.470(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.0326e-01 1.G78 H = 7.702(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3397e-01 1.G78 HA2 = 4.470(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.7658e-01 1.G78 HA3 = 3.788(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.6212e-01 1.G78 N = 108.039(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7343e-01 1.C79 H = 8.109(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.7492e-01 1.C79 HA = 5.807(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.7028e-02 1.C79 HB2 = 2.897(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.8615e-01 1.C79 HB3 = 2.674(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.3867e-01 1.C79 N = 115.752(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.4102e-01 1.H80 H = 9.168(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.7235e-01 1.H80 HA = 5.229(D), Expected = 4.61, Std = 0.4300, ChiSquare = 1.5000e-01 1.H80 N = 116.971(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.9666e-01 1.E81 CA = 53.170(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7073e-02 1.E81 H = 8.904(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3061e-01 1.E81 HA = 4.539(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.8089e-01 1.E81 HB2 = 2.128(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.0705e-01 1.E81 HB3 = 1.988(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.9306e-01 1.E81 HG2 = 3.266(S), Expected = 2.27, Std = 0.2100, ChiSquare = 2.1072e-06 1.E81 HG3 = 3.138(S), Expected = 2.25, Std = 0.2200, ChiSquare = 5.4286e-05 1.E81 N = 123.037(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9640e-01 1.D82 CA = 50.917(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.3081e-02 1.D82 H = 8.449(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.1060e-01 1.D82 HA = 5.002(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.9792e-01 1.D82 HB2 = 2.542(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.9359e-01 1.D82 HB3 = 2.310(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.1130e-01 1.D82 N = 122.374(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5514e-01 1.P83 CA = 63.510(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0573e-01 1.P83 HA = 4.366(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.1794e-01 1.P83 HB2 = 2.036(D), Expected = 2.08, Std = 0.3500, ChiSquare = 8.9996e-01 1.P83 HB3 = 2.370(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.0405e-01 1.A84 H = 8.375(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7054e-01 1.A84 HA = 4.202(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9513e-01 1.A84 HB1 = 1.355(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A84 HB2 = 1.355(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A84 HB3 = 1.355(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A84 N = 121.488(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2266e-01 1.C85 CA = 51.590(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.3903e-02 1.C85 H = 7.908(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.7189e-01 1.C85 HA = 4.999(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.3765e-01 1.C85 HB2 = 3.472(D), Expected = 2.96, Std = 0.4400, ChiSquare = 2.4457e-01 1.C85 HB3 = 2.453(D), Expected = 2.89, Std = 0.4600, ChiSquare = 3.4211e-01 1.C85 N = 112.382(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.3260e-02 1.D86 H = 8.065(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.7272e-01 1.D86 HA = 4.797(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.1771e-01 1.D86 HB2 = 2.974(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.2861e-01 1.D86 HB3 = 2.928(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.3850e-01 1.D86 N = 125.174(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4119e-01 1.P87 HA = 4.398(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.9516e-01 1.E88 CA = 56.190(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8874e-01 1.E88 H = 8.359(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6080e-01 1.E88 HA = 4.129(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.6790e-01 1.E88 HB2 = 2.048(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.9393e-01 1.E88 HB3 = 1.949(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.5852e-01 1.E88 HG2 = 2.442(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.1276e-01 1.E88 HG3 = 2.290(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.5573e-01 1.E88 N = 119.924(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3026e-01 1.A89 H = 8.118(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9129e-01 1.A89 HA = 4.186(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.6644e-01 1.A89 HB1 = 1.322(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.1424e-01 1.A89 HB2 = 1.322(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.1424e-01 1.A89 HB3 = 1.322(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.1424e-01 1.A89 N = 123.437(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5337e-01 1.A90 H = 8.045(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.9615e-01 1.A90 HA = 4.215(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.1854e-01 1.A90 HB1 = 1.317(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A90 HB2 = 1.317(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A90 HB3 = 1.317(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 1.A90 N = 121.662(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5781e-01 1.F91 CA = 56.840(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.2946e-01 1.F91 H = 7.769(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1174e-01 1.F91 HA = 4.746(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.3874e-01 1.F91 HB2 = 3.023(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.5043e-01 1.F91 N = 117.228(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.4082e-01 1.S92 H = 7.920(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.4175e-01 1.S92 HB2 = 3.856(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.2352e-01 1.S92 HB3 = 3.788(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.1838e-01 1.S92 N = 118.919(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.5343e-01