Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.C1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.3 R 0.26 C 0.21 K 0.21 C Shift Assignments>> C :: 174.867(D) CA :: 55.670 CB :: 29.770 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) 1.K2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.33 C 0.3 R 0.16 H 0.14 V 0.04 C Shift Assignments>> C :: 177.123(D) CA :: 56.668(D) CB :: 32.907(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 :: 8.304(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 :: 123.300(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 R 0.05 C 0.04 D 0.01 C Shift Assignments>> C :: 174.089(D) CA :: 44.941(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.394(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.920(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 HN Overlap>> 1.A74 1.A74 C Shift Assignments>> C :: 177.740(D) CA :: 52.303(D) CB :: 18.869(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.229(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.998(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.52 N 0.31 C 0.1 K 0.05 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 176.859(D) CA :: 53.961(D) CB :: 40.498(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 :: 8.384(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 :: 119.227(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 C 0.03 R 0.02 HN Overlap>> 1.G12 1.G12 C Shift Assignments>> C :: 174.134(D) CA :: 45.156(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.275(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.200(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 177.750(D) CA :: 52.580(D) CB :: 19.160(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.450(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.240(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.28 K 0.28 C 0.21 R 0.21 C Shift Assignments>> C :: 174.909(D) CA :: 55.210(D) CB :: 29.100(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 :: 8.445(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 :: 117.049(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 HN Overlap>> 1.G79 1.G79 1.G30 1.G30 C Shift Assignments>> C :: 174.210(D) CA :: 45.270(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.368(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.722(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.28 C 0.21 K 0.02 R 0.01 HN Overlap>> 1.V59 1.V47 1.V59 1.V47 C Shift Assignments>> C :: 176.230(D) CA :: 62.390(D) CB :: 32.716(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 :: 8.132(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 :: 119.173(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.62 D 0.25 C 0.11 C Shift Assignments>> C :: 175.589(D) CA :: 53.340(D) CB :: 38.970(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 :: 8.592(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 :: 122.115(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 R 0.13 C 0.05 D 0.02 HN Overlap>> 1.G6 1.G6 C Shift Assignments>> C :: 173.676(D) CA :: 44.600(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.341(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.207(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 N 0.14 H 0.13 R 0.11 A 0.11 K 0.09 C 0.08 S 0.01 C Shift Assignments>> C :: 172.882 CA :: 54.840 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.219(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 :: 120.200(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> P 0.44 V 0.41 C 0.12 C Shift Assignments>> C :: 177.502(D) CA :: 63.724(D) CB :: 32.140(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) N Shift Assignments>> N :: 138.602(D) Ave N Shift Values>> N :: 134.16(6.62) 1.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 C Shift Assignments>> C :: 174.460(D) CA :: 45.270(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.475(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.110(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.633(D) CA :: 61.730(D) CB :: 70.030(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 :: 8.020(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 :: 113.330(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 178.270(D) CA :: 52.844(D) CB :: 19.106(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.415(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.599(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 C 0.03 R 0.01 HN Overlap>> 1.G45 1.G31 1.G45 1.G31 C Shift Assignments>> C :: 174.029(D) CA :: 45.228(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.344(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.304(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 177.803(D) CA :: 52.440(D) CB :: 19.300(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.130(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.470(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 178.380(D) CA :: 52.820(D) CB :: 19.090(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.365(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.468(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 C Shift Assignments>> C :: 174.224(D) CA :: 45.290(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.341(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.061(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.740(D) CA :: 58.220(D) CB :: 64.040(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.159(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 :: 115.596(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.3 C 0.2 K 0.01 R 0.01 C Shift Assignments>> C :: 176.67(D) CA :: 62.520(D) CB :: 32.722(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 :: 8.225(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 :: 121.491(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 C 0.03 R 0.02 C Shift Assignments>> C :: 174.214(D) CA :: 45.162(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.448(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.317(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 R 0.17 C 0.06 D 0.03 C Shift Assignments>> C :: 172.014(D) CA :: 44.500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.120(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.883(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> P 0.45 V 0.4 C 0.13 C Shift Assignments>> C :: 177.925(D) CA :: 63.600(D) CB :: 32.081(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) N Shift Assignments>> N :: 134.160(D) Ave N Shift Values>> N :: 134.16(6.62) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 C Shift Assignments>> C :: 174.537(D) CA :: 45.382(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.612(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.649(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 K 0.24 R 0.23 H 0.17 C Shift Assignments>> C :: 174.556(D) CA :: 58.510(D) CB :: 28.140(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.182(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 :: 118.529(D) Ave N Shift Values>> N :: 120.17(4.64) 1.D29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 K 0.35 C 0.19 N 0.05 R 0.03 C Shift Assignments>> C :: 176.796(D) CA :: 56.680(D) CB :: 41.060(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 :: 8.499(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 :: 122.420(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 HN Overlap>> 1.G79 1.G9 1.G79 1.G9 C Shift Assignments>> C :: 174.961(D) CA :: 45.650(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.411(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.659(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 HN Overlap>> 1.G45 1.G45 1.G18 1.G18 C Shift Assignments>> C :: 174.405(D) CA :: 45.360(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.317(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.240(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 H 0.28 C 0.21 R 0.2 C Shift Assignments>> C :: 175.071(D) CA :: 55.290(D) CB :: 29.000(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 :: 8.400(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 :: 117.780(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 C Shift Assignments>> C :: 174.734(D) CA :: 45.441(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.550(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.800(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 C 0.03 R 0.01 HN Overlap>> 1.G56 1.G56 1.G67 1.G67 C Shift Assignments>> C :: 174.252(D) CA :: 45.333(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.336 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.692 Ave N Shift Values>> N :: 109.67(3.87) 1.N35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.62 D 0.25 C 0.11 C Shift Assignments>> C :: 176.030(D) CA :: 53.210(D) CB :: 39.030(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 :: 8.460(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 :: 118.630(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 C Shift Assignments>> C :: 174.840(D) CA :: 45.382(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.533(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.496(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 HN Overlap>> 1.G61 1.G61 1.G56 1.G46 1.G64 1.G56 1.G46 1.G64 C Shift Assignments>> C :: 174.170(D) CA :: 45.260 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.280(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.578(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.25 C 0.11 C Shift Assignments>> C :: 175.772(D) CA :: 53.210(D) CB :: 39.010(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 :: 8.311(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 :: 118.550(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 C Shift Assignments>> C :: 173.576(D) CA :: 45.240(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.429(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 P 0.27 N 0.22 D 0.09 C 0.03 H 0.02 R 0.01 C Shift Assignments>> C :: 173.482 CA :: 51.350 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 :: 8.281(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 :: 119.350(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.45 V 0.41 C 0.12 C Shift Assignments>> C :: 177.630(D) CA :: 63.770(D) CB :: 32.090(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) N Shift Assignments>> N :: 137.060 Ave N Shift Values>> N :: 134.16(6.62) 1.G42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 C Shift Assignments>> C :: 174.242(D) CA :: 45.290(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.473(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.700(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 K 0.27 R 0.21 H 0.19 C Shift Assignments>> C :: 174.517(D) CA :: 58.210(D) CB :: 28.280(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.110(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 :: 118.620(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 178.197(D) CA :: 52.854(D) CB :: 19.310(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.481(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.727(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 HN Overlap>> 1.G31 1.G18 1.G31 1.G18 C Shift Assignments>> C :: 174.689(D) CA :: 45.392(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.398(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.287(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 C 0.03 R 0.02 HN Overlap>> 1.G61 1.G37 1.G56 1.G61 1.G37 1.G56 1.G64 1.G52 1.G64 1.G52 C Shift Assignments>> C :: 174.405(D) CA :: 45.211(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.212(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.630(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.31 C 0.19 K 0.01 R 0.01 HN Overlap>> 1.V10 1.V59 1.V10 1.V59 C Shift Assignments>> C :: 177.070(D) CA :: 62.560(D) CB :: 32.620(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 :: 8.113(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 :: 119.085(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 HN Overlap>> 1.G60 1.G60 C Shift Assignments>> C :: 174.786(D) CA :: 45.300(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.582(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.511(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 HN Overlap>> 1.G67 1.G67 C Shift Assignments>> C :: 174.220(D) CA :: 45.400(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.236(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.811(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 HN Overlap>> 1.A74 1.A74 C Shift Assignments>> C :: 178.48(D) CA :: 52.670(D) CB :: 19.220(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.30(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.887(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 C Shift Assignments>> C :: 174.891(D) CA :: 45.400(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.47(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.194(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 C 0.03 R 0.01 HN Overlap>> 1.G61 1.G56 1.G46 1.G67 1.G61 1.G56 1.G46 1.G67 C Shift Assignments>> C :: 174.179(D) CA :: 45.230(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.218(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.693(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 178.135(D) CA :: 52.610(D) CB :: 19.219(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.410(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.992(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.240(D) CA :: 58.510(D) CB :: 63.850(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.365(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 :: 115.100(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 HN Overlap>> 1.G73 1.G73 C Shift Assignments>> C :: 174.735 CA :: 45.460(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.391(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.620(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 HN Overlap>> 1.G61 1.G37 1.G61 1.G37 1.G46 1.G64 1.G34 1.G52 1.G46 1.G64 1.G34 1.G52 C Shift Assignments>> C :: 174.587(D) CA :: 45.290(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.285(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.617(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.410(D) CA :: 61.950(D) CB :: 69.870(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 :: 8.178(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 :: 112.827(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 C Shift Assignments>> C :: 174.406(D) CA :: 45.314(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.485(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.261(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.31 C 0.19 K 0.01 R 0.01 HN Overlap>> 1.V10 1.V10 1.V47 1.V47 C Shift Assignments>> C :: 177.084(D) CA :: 62.595(D) CB :: 32.670 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 :: 8.072(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 :: 119.088(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 HN Overlap>> 1.G48 1.G48 C Shift Assignments>> C :: 174.839 CA :: 45.397(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.591(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.528(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 C 0.03 R 0.01 HN Overlap>> 1.G37 1.G56 1.G46 1.G64 1.G52 1.G37 1.G56 1.G46 1.G64 1.G52 C Shift Assignments>> C :: 174.559(D) CA :: 45.353(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.264 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.591 Ave N Shift Values>> N :: 109.67(3.87) 1.R62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 H 0.29 C 0.24 K 0.14 V 0.01 C Shift Assignments>> C :: 177.111(D) CA :: 56.321(D) CB :: 30.697(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 :: 8.295(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 :: 120.415(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.G63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 C Shift Assignments>> C :: 174.741(D) CA :: 45.416(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.525(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.932(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 C 0.03 R 0.02 HN Overlap>> 1.G61 1.G37 1.G56 1.G46 1.G61 1.G37 1.G56 1.G46 C Shift Assignments>> C :: 174.411(D) CA :: 45.204(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.260(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.565(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.34 C 0.3 R 0.16 H 0.14 V 0.03 C Shift Assignments>> C :: 177.388(D) CA :: 56.401(D) CB :: 33.023(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 :: 8.318(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 :: 120.866(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.95 C 0.03 R 0.01 C Shift Assignments>> C :: 174.740(D) CA :: 45.414(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.538(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.200(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 C 0.03 R 0.02 HN Overlap>> 1.G34 1.G49 1.G34 1.G49 1.G52 1.G52 C Shift Assignments>> C :: 174.470(D) CA :: 45.200(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.281(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.750(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.127(D) CA :: 58.510(D) CB :: 63.960(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.358(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 :: 115.614(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 C 0.03 R 0.02 C Shift Assignments>> C :: 173.966(D) CA :: 45.160(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.511(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.889(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T70 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 172.960(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 :: 8.103(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 :: 116.602(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> P 0.41 V 0.41 C 0.14 C Shift Assignments>> C :: 176.889(D) CA :: 63.242(D) CB :: 32.249(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) N Shift Assignments>> N :: 139.500(D) Ave N Shift Values>> N :: 134.16(6.62) 1.K72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.35 C 0.31 R 0.14 H 0.13 V 0.03 C Shift Assignments>> C :: 177.270(D) CA :: 56.420(D) CB :: 33.185(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 :: 8.461(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 :: 121.970(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 C 0.03 R 0.01 HN Overlap>> 1.G55 1.G55 C Shift Assignments>> C :: 174.030(D) CA :: 45.245(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.447(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.533(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 HN Overlap>> 1.A50 1.A4 1.A50 1.A4 C Shift Assignments>> C :: 177.725(D) CA :: 52.590(D) CB :: 19.270(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.279(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.921(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.54 N 0.22 K 0.11 C 0.1 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 176.640(D) CA :: 54.320(D) CB :: 40.830(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 :: 8.390(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 :: 119.117(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 C 0.03 R 0.03 D 0.01 C Shift Assignments>> C :: 173.536(D) CA :: 45.078(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.270(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.070(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.67 A 0.15 N 0.09 D 0.03 C 0.01 C Shift Assignments>> C :: 175.630(D) CA :: 50.550 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.090(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.930(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> P 0.44 V 0.4 C 0.13 C Shift Assignments>> C :: 177.678(D) CA :: 63.420(D) CB :: 32.070(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) N Shift Assignments>> N :: 135.914(D) Ave N Shift Values>> N :: 134.16(6.62) 1.G79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 C 0.04 R 0.03 D 0.01 HN Overlap>> 1.G9 1.G30 1.G9 1.G30 C Shift Assignments>> C :: 173.359(D) CA :: 45.025(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.461(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.660(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.75 A 0.12 N 0.07 D 0.02 C 0.01 C Shift Assignments>> C :: 174.790(D) CA :: 50.360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.052(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.374(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P81 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Duplicate N Shift Assignments>> N :: 140.295(D) Ave N Shift Values>> N :: 134.16(6.62) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 81 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 79 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 13 #Duplicate: 184 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 72 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 3 #Duplicate: 77 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C1 C = 174.867(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.6802e-01 1.K2 C = 177.123(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.0917e-01 1.K2 CA = 56.668(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.9801e-01 1.K2 CB = 32.907(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4759e-01 1.K2 H = 8.304(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4931e-01 1.K2 N = 123.300(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5063e-01 1.G3 C = 174.089(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.0726e-01 1.G3 CA = 44.941(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6020e-01 1.G3 H = 8.394(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2157e-01 1.G3 N = 109.920(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4849e-01 1.A4 C = 177.740(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.0000e+00 1.A4 CA = 52.303(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7249e-01 1.A4 CB = 18.869(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3858e-01 1.A4 H = 8.229(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6145e-01 1.A4 N = 123.998(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2825e-01 1.D5 C = 176.859(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.9310e-01 1.D5 CA = 53.961(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.1951e-01 1.D5 CB = 40.498(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.1359e-01 1.D5 H = 8.384(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9848e-01 1.D5 N = 119.227(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1239e-01 1.G6 C = 174.134(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8832e-01 1.G6 CA = 45.156(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8489e-01 1.G6 H = 8.275(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3257e-01 1.G6 N = 109.200(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0334e-01 1.A7 C = 177.750(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9625e-01 1.A7 CA = 52.580(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.7731e-01 1.A7 CB = 19.160(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3467e-01 1.A7 H = 8.450(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7692e-01 1.A7 N = 123.240(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9775e-01 1.H8 C = 174.909(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.6258e-01 1.H8 CA = 55.210(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.7065e-01 1.H8 CB = 29.100(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.8182e-01 1.H8 H = 8.445(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.6306e-01 1.H8 N = 117.049(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0909e-01 1.G9 C = 174.210(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5648e-01 1.G9 CA = 45.270(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5239e-01 1.G9 H = 8.368(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5338e-01 1.G9 N = 109.722(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8928e-01 1.V10 C = 176.230(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4817e-01 1.V10 CA = 62.390(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7211e-01 1.V10 CB = 32.716(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9376e-01 1.V10 H = 8.132(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1357e-01 1.V10 N = 119.173(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6483e-01 1.N11 C = 175.589(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.5856e-01 1.N11 CA = 53.340(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.1528e-01 1.N11 CB = 38.970(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.6841e-01 1.N11 H = 8.592(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.8916e-01 1.N11 N = 122.115(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.2934e-01 1.G12 C = 173.676(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1781e-01 1.G12 CA = 44.600(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.7568e-01 1.G12 H = 8.341(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8650e-01 1.G12 N = 109.207(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0477e-01 1.C13 H = 8.219(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.9855e-01 1.C13 N = 120.200(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.9484e-01 1.P14 C = 177.502(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.1847e-01 1.P14 CA = 63.724(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.9547e-01 1.P14 CB = 32.140(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.0587e-01 1.P14 N = 138.602(D), Expected = 134.16, Std = 6.6200, ChiSquare = 5.0222e-01 1.G15 C = 174.460(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.5365e-01 1.G15 CA = 45.270(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5239e-01 1.G15 H = 8.475(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2348e-01 1.G15 N = 109.110(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8495e-01 1.T16 C = 174.633(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.5786e-01 1.T16 CA = 61.730(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4994e-01 1.T16 CB = 70.030(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5398e-01 1.T16 H = 8.020(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2271e-01 1.T16 N = 113.330(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.5994e-01 1.A17 C = 178.270(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0350e-01 1.A17 CA = 52.844(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8116e-01 1.A17 CB = 19.106(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.5816e-01 1.A17 H = 8.415(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2009e-01 1.A17 N = 126.599(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4125e-01 1.G18 C = 174.029(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3260e-01 1.G18 CA = 45.228(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2746e-01 1.G18 H = 8.344(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8282e-01 1.G18 N = 108.304(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2411e-01 1.A19 C = 177.803(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7640e-01 1.A19 CA = 52.440(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2369e-01 1.A19 CB = 19.300(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7409e-01 1.A19 H = 8.130(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 1.A19 N = 123.470(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4595e-01 1.A20 C = 178.380(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6382e-01 1.A20 CA = 52.820(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7161e-01 1.A20 CB = 19.090(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6513e-01 1.A20 H = 8.365(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8332e-01 1.A20 N = 123.468(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4640e-01 1.G21 C = 174.224(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5064e-01 1.G21 CA = 45.290(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6429e-01 1.G21 H = 8.341(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8650e-01 1.G21 N = 108.061(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7758e-01 1.S22 C = 174.740(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4438e-01 1.S22 CA = 58.220(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.0913e-01 1.S22 CB = 64.040(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7118e-01 1.S22 H = 8.159(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3751e-01 1.S22 N = 115.596(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4593e-01 1.V23 C = 176.67(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.8052e-01 1.V23 CA = 62.520(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9163e-01 1.V23 CB = 32.722(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9643e-01 1.V23 H = 8.225(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2271e-01 1.V23 N = 121.491(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3837e-01 1.G24 C = 174.214(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5481e-01 1.G24 CA = 45.162(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8842e-01 1.G24 H = 8.448(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5595e-01 1.G24 N = 112.317(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9399e-01 1.G25 C = 172.014(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.2353e-01 1.G25 H = 8.120(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4664e-01 1.G25 N = 108.883(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3885e-01 1.P26 C = 177.925(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.3648e-01 1.P26 CA = 63.600(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5901e-01 1.P26 CB = 32.081(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.4480e-01 1.P26 N = 134.160(D), Expected = 134.16, Std = 6.6200, ChiSquare = 1.0000e+00 1.G27 C = 174.537(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2275e-01 1.G27 CA = 45.382(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8095e-01 1.G27 H = 8.612(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6440e-01 1.G27 N = 109.649(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9567e-01 1.C28 C = 174.556(D), Expected = 174.95, Std = 2.0700, ChiSquare = 8.4904e-01 1.C28 CA = 58.510(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.4972e-01 1.C28 CB = 28.140(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.6919e-01 1.C28 H = 8.182(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.5622e-01 1.C28 N = 118.529(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.2359e-01 1.D29 C = 176.796(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2098e-01 1.D29 CA = 56.680(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.2694e-01 1.D29 CB = 41.060(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.1153e-01 1.D29 H = 8.499(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4453e-01 1.D29 N = 122.420(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4656e-01 1.G30 C = 174.961(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6170e-01 1.G30 CA = 45.650(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2285e-01 1.G30 H = 8.411(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0083e-01 1.G30 N = 109.659(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9773e-01 1.G31 C = 174.405(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7597e-01 1.G31 CA = 45.360(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9405e-01 1.G31 H = 8.317(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8404e-01 1.G31 N = 108.240(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.1175e-01 1.H32 C = 175.071(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.2760e-01 1.H32 CA = 55.290(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.9440e-01 1.H32 CB = 29.000(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.4915e-01 1.H32 H = 8.400(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1398e-01 1.H32 N = 117.780(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.3301e-01 1.G33 C = 174.734(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4582e-01 1.G33 CA = 45.441(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4586e-01 1.G33 H = 8.550(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3502e-01 1.G33 N = 109.800(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7320e-01 1.G34 C = 174.252(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3899e-01 1.G34 CA = 45.333(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8988e-01 1.N35 C = 176.030(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.7114e-01 1.N35 CA = 53.210(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6066e-01 1.N35 CB = 39.030(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.4056e-01 1.N35 H = 8.460(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4894e-01 1.N35 N = 118.630(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.4066e-01 1.G36 C = 174.840(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.0588e-01 1.G36 CA = 45.382(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8095e-01 1.G36 H = 8.533(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.5481e-01 1.G36 N = 109.496(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6414e-01 1.G37 C = 174.170(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7322e-01 1.G37 H = 8.280(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3868e-01 1.G37 N = 108.578(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7781e-01 1.N38 C = 175.772(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.7913e-01 1.N38 CA = 53.210(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6066e-01 1.N38 CB = 39.010(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.4982e-01 1.N38 H = 8.311(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6329e-01 1.N38 N = 118.550(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.2488e-01 1.G39 C = 173.576(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7573e-01 1.G39 CA = 45.240(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3458e-01 1.G39 H = 8.429(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7894e-01 1.G39 N = 109.000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6255e-01 1.N40 H = 8.281(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2539e-01 1.N40 N = 119.350(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1700e-01 1.P41 C = 177.630(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.6004e-01 1.P41 CA = 63.770(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.7222e-01 1.P41 CB = 32.090(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.3883e-01 1.G42 C = 174.242(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4314e-01 1.G42 CA = 45.290(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6429e-01 1.G42 H = 8.473(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2587e-01 1.G42 N = 108.700(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0209e-01 1.C43 C = 174.517(D), Expected = 174.95, Std = 2.0700, ChiSquare = 8.3431e-01 1.C43 CA = 58.210(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.7844e-01 1.C43 CB = 28.280(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.8362e-01 1.C43 H = 8.110(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.7601e-01 1.C43 N = 118.620(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.3834e-01 1.A44 C = 178.197(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.3012e-01 1.A44 CA = 52.854(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8515e-01 1.A44 CB = 19.310(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6978e-01 1.A44 H = 8.481(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3955e-01 1.A44 N = 126.727(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2322e-01 1.G45 C = 174.689(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6310e-01 1.G45 CA = 45.392(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7500e-01 1.G45 H = 8.398(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1668e-01 1.G45 N = 108.287(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2082e-01 1.G46 C = 174.405(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7597e-01 1.G46 CA = 45.211(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1738e-01 1.G46 H = 8.212(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5595e-01 1.G46 N = 108.630(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8813e-01 1.V47 C = 177.070(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.4537e-01 1.V47 CA = 62.560(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8047e-01 1.V47 CB = 32.620(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.5100e-01 1.V47 H = 8.113(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9164e-01 1.V47 N = 119.085(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5081e-01 1.G48 C = 174.786(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2609e-01 1.G48 CA = 45.300(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G48 H = 8.582(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9824e-01 1.G48 N = 112.511(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6288e-01 1.G49 C = 174.220(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5231e-01 1.G49 CA = 45.400(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G49 H = 8.236(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8501e-01 1.G49 N = 108.811(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2434e-01 1.A50 C = 178.48(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.2828e-01 1.A50 CA = 52.670(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1237e-01 1.A50 CB = 19.220(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0864e-01 1.A50 H = 8.30(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6763e-01 1.A50 N = 123.887(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5276e-01 1.G51 C = 174.891(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8707e-01 1.G51 CA = 45.400(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G51 H = 8.47(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2947e-01 1.G51 N = 108.194(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0291e-01 1.G52 C = 174.179(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6945e-01 1.G52 CA = 45.230(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2864e-01 1.G52 H = 8.218(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6320e-01 1.G52 N = 108.693(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0069e-01 1.A53 C = 178.135(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.5288e-01 1.A53 CA = 52.610(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8895e-01 1.A53 CB = 19.219(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0907e-01 1.A53 H = 8.410(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2634e-01 1.A53 N = 123.992(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2957e-01 1.S54 C = 175.240(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1850e-01 1.S54 CA = 58.510(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.1919e-01 1.S54 CB = 63.850(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7305e-01 1.S54 H = 8.365(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8545e-01 1.S54 N = 115.100(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3745e-01 1.G55 CA = 45.460(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3458e-01 1.G55 H = 8.391(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2523e-01 1.G55 N = 110.620(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0609e-01 1.G56 C = 174.587(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0292e-01 1.G56 CA = 45.290(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6429e-01 1.G56 H = 8.285(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4481e-01 1.G56 N = 108.617(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8555e-01 1.T57 C = 175.410(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.2108e-01 1.T57 CA = 61.950(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1697e-01 1.T57 CB = 69.870(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3155e-01 1.T57 H = 8.178(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2034e-01 1.T57 N = 112.827(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8514e-01 1.G58 C = 174.406(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7556e-01 1.G58 CA = 45.314(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7857e-01 1.G58 H = 8.485(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1152e-01 1.G58 N = 111.261(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8099e-01 1.V59 C = 177.084(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.4099e-01 1.V59 CA = 62.595(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7071e-01 1.V59 H = 8.072(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4490e-01 1.V59 N = 119.088(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5128e-01 1.G60 CA = 45.397(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7202e-01 1.G60 H = 8.591(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.8802e-01 1.G60 N = 112.528(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6021e-01 1.G61 C = 174.559(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.1400e-01 1.G61 CA = 45.353(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9821e-01 1.R62 C = 177.111(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.2985e-01 1.R62 CA = 56.321(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.4588e-01 1.R62 CB = 30.697(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9869e-01 1.R62 H = 8.295(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2816e-01 1.R62 N = 120.415(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1668e-01 1.G63 C = 174.741(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4315e-01 1.G63 CA = 45.416(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6072e-01 1.G63 H = 8.525(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6418e-01 1.G63 N = 109.932(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4602e-01 1.G64 C = 174.411(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7353e-01 1.G64 CA = 45.204(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1324e-01 1.G64 H = 8.260(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1424e-01 1.G64 N = 108.565(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7524e-01 1.K65 C = 177.388(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.0840e-01 1.K65 CA = 56.401(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0294e-01 1.K65 CB = 33.023(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9586e-01 1.K65 H = 8.318(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3107e-01 1.K65 N = 120.866(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6107e-01 1.G66 C = 174.740(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4353e-01 1.G66 CA = 45.414(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6191e-01 1.G66 H = 8.538(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4897e-01 1.G66 N = 110.200(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9107e-01 1.G67 C = 174.470(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.4961e-01 1.G67 CA = 45.200(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G67 H = 8.281(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3991e-01 1.G67 N = 108.750(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1209e-01 1.S68 C = 175.127(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.6817e-01 1.S68 CA = 58.510(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.1919e-01 1.S68 CB = 63.960(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1391e-01 1.S68 H = 8.358(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9482e-01 1.S68 N = 115.614(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4993e-01 1.G69 C = 173.966(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5927e-01 1.G69 CA = 45.160(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8725e-01 1.G69 H = 8.511(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8066e-01 1.G69 N = 110.889(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.5277e-01 1.T70 C = 172.960(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.6933e-01 1.T70 H = 8.103(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2512e-01 1.T70 N = 116.602(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.0348e-01 1.P71 C = 176.889(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.2666e-01 1.P71 CA = 63.242(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5383e-01 1.P71 CB = 32.249(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.3526e-01 1.P71 N = 139.500(D), Expected = 134.16, Std = 6.6200, ChiSquare = 4.1987e-01 1.K72 C = 177.270(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.5276e-01 1.K72 CA = 56.420(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0963e-01 1.K72 CB = 33.185(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2438e-01 1.K72 H = 8.461(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5151e-01 1.K72 N = 121.970(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0721e-01 1.G73 C = 174.030(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3218e-01 1.G73 CA = 45.245(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3754e-01 1.G73 H = 8.447(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5715e-01 1.G73 N = 110.533(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2354e-01 1.A74 C = 177.725(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9438e-01 1.A74 CA = 52.590(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8118e-01 1.A74 CB = 19.270(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A74 H = 8.279(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9525e-01 1.A74 N = 123.921(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4524e-01 1.D75 C = 176.640(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.9092e-01 1.D75 CA = 54.320(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5537e-01 1.D75 CB = 40.830(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.7538e-01 1.D75 H = 8.390(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9030e-01 1.D75 N = 119.117(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9126e-01 1.G76 C = 173.536(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5899e-01 1.G76 CA = 45.078(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3915e-01 1.G76 H = 8.270(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G76 N = 109.070(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7679e-01 1.A77 C = 175.630(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.2188e-01 1.A77 H = 8.090(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5454e-01 1.A77 N = 124.930(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3107e-01 1.P78 C = 177.678(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.3884e-01 1.P78 CA = 63.420(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5278e-01 1.P78 CB = 32.070(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.5210e-01 1.P78 N = 135.914(D), Expected = 134.16, Std = 6.6200, ChiSquare = 7.9104e-01 1.G79 C = 173.359(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8577e-01 1.G79 CA = 45.025(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0836e-01 1.G79 H = 8.461(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4028e-01 1.G79 N = 109.660(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9794e-01 1.A80 C = 174.790(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6606e-01 1.A80 H = 8.052(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0517e-01 1.A80 N = 125.374(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4475e-01 1.P81 N = 140.295(D), Expected = 134.16, Std = 6.6200, ChiSquare = 3.5406e-01