G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.23 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> CA :: 53.231(D) CB :: 39.193(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.758(D) HB2 :: 2.839(D) HD21 :: 7.730(D) HD22 :: 6.737(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 113.199(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 C 0.18 D 0.15 Y 0.09 F 0.07 L 0.02 E 0.02 M 0.01 C Shift Assignments>> CA :: 53.513(D) CB :: 38.449(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.751(D) HB2 :: 2.964(D) HB3 :: 2.896(D) HD21 :: 6.984(D) HD22 :: 7.653(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.658(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.56 C 0.4 A 0.01 C Shift Assignments>> CA :: 56.684(D) CB :: 40.582(D) CG :: 26.654(D) CD1 :: 24.899(D) CD2 :: 22.655(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.432(D) HA :: 4.056(D) HB2 :: 0.785(D) HG :: 1.249(D) HD1 :: -0.002(D) HD2 :: 0.414(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.824(D) Ave N Shift Values>> N :: 121.98(4.07) E7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 I 0.32 E 0.27 K 0.02 M 0.01 HN Overlap>> C60 C Shift Assignments>> CA :: 59.181(D) CB :: 29.467(D) CG :: 37.704(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.234(D) HA :: 4.279(D) HB2 :: 2.104(D) HB3 :: 2.201(D) HG2 :: 2.463(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.524(D) Ave N Shift Values>> N :: 120.68(3.68) T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 62.679(D) CB :: 69.207(D) CG2 :: 21.213(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.487(D) HA :: 4.045(D) HB :: 3.995(D) HG2 :: 0.975(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.582(D) Ave N Shift Values>> N :: 115.7(5.05) Y9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.43 F 0.41 Y 0.15 C Shift Assignments>> CA :: 58.394(D) CB :: 37.945(D) CD1 :: 130.056(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.545(D) HA :: 4.123(D) HB2 :: 1.490(S) HB3 :: 0.649(S) HD1 :: 6.915(D) HD2 :: 6.902(D) HE1 :: 6.759(D) HE2 :: 6.747(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.520(D) Ave N Shift Values>> N :: 120.79(4.69) E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 C 0.34 I 0.14 K 0.07 M 0.04 Q 0.02 C Shift Assignments>> CA :: 58.559(D) CB :: 29.767(D) CG :: 36.414(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.175(D) HA :: 4.037(D) HB2 :: 2.071(D) HB3 :: 1.995(D) HG2 :: 2.245(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.328(D) Ave N Shift Values>> N :: 120.68(3.68) W11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 H 0.17 M 0.15 R 0.13 W 0.1 Q 0.08 K 0.07 E 0.06 C Shift Assignments>> CA :: 53.341(D) CB :: 30.953(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 6.194(D) HA :: 4.394(D) HB2 :: 3.536(D) HB3 :: 2.697(D) HE1 :: 10.937(D) HE3 :: 7.256(D) HZ2 :: 6.582(D) HZ3 :: 6.551(D) HH2 :: 6.163(D) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 108.605(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Y12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 F 0.39 Y 0.15 C Shift Assignments>> CA :: 56.778(D) CB :: 38.018(D) CD1 :: 130.084(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.481(D) HA :: 5.586(D) HB2 :: 2.740(D) HB3 :: 2.941(D) HD1 :: 6.911(D) HD2 :: 6.895(D) HE1 :: 6.871(D) HE2 :: 6.867(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.271(D) Ave N Shift Values>> N :: 120.79(4.69) N13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.19 N 0.13 C 0.12 K 0.07 R 0.04 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> CA :: 51.775(D) CB :: 41.817(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.732(D) HA :: 4.762(D) HB2 :: 2.650(D) HB3 :: 2.512(D) HD21 :: 6.712(D) HD22 :: 7.987(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.815(D) ND2 :: 114.432(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 K 0.35 R 0.2 M 0.04 G 0.01 C Shift Assignments>> CA :: 57.444(D) CB :: 32.986(D) CG :: 24.684(D) CD :: 29.966(D) CE :: 42.422(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.494(D) HA :: 3.889(D) HB2 :: 1.804(D) HG2 :: 1.526(D) HD2 :: 1.794(D) HE2 :: 3.106(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.470(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.074(D) CB :: 62.551(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.417(D) HA :: 4.349(D) HB2 :: 3.970(D) HB3 :: 4.018(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.970(D) Ave N Shift Values>> N :: 116.3(3.95) I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 C 0.31 HN Overlap>> L105 C Shift Assignments>> CA :: 60.528(D) CB :: 39.943(D) CG1 :: 27.967(D) CG2 :: 17.665(D) CD1 :: 13.908(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.560(D) HA :: 4.467(D) HB :: 1.778(D) HG2 :: 0.930(D) HG12 :: 1.491(D) HG13 :: 1.341(D) HD1 :: 0.768(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.782(D) Ave N Shift Values>> N :: 121.6(4.72) S17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 57.124(D) CB :: 65.516(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.182(D) HA :: 4.571(D) HB2 :: 4.349(D) HB3 :: 4.074(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.475(D) Ave N Shift Values>> N :: 116.3(3.95) R18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.43 C 0.37 G 0.12 K 0.06 C Shift Assignments>> CA :: 60.826(D) CB :: 30.688(D) CG :: 27.439(D) CD :: 43.415(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.044(D) HA :: 3.589(D) HB2 :: 1.720(D) HB3 :: 1.970(D) HG2 :: 1.335(D) HG3 :: 0.849(D) HD2 :: 2.974(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.788(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.18 C 0.15 K 0.14 L 0.12 D 0.1 I 0.04 R 0.02 N 0.01 C Shift Assignments>> CA :: 57.319(D) CB :: 40.768(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.475(D) HA :: 4.343(D) HB2 :: 2.604(D) HB3 :: 2.648(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.206(D) Ave N Shift Values>> N :: 120.73(4.2) K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 K 0.32 R 0.26 I 0.01 G 0.01 C Shift Assignments>> CA :: 58.849(D) CB :: 32.257(D) CE :: 42.375(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.683(D) HA :: 4.107(D) HB2 :: 1.905(D) HG2 :: 1.493(D) HD2 :: 1.767(D) HE2 :: 3.008(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.830(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.3 C 0.05 V 0.03 I 0.02 L 0.02 T 0.01 C Shift Assignments>> CA :: 55.686(D) CB :: 19.569(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.666(D) HA :: 3.909(D) HB :: 1.592(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.725(D) Ave N Shift Values>> N :: 123.23(3.7) E22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.57 C 0.29 E 0.11 C Shift Assignments>> CA :: 61.097(D) CB :: 28.990(D) CG :: 37.896(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.392(D) HA :: 3.889(D) HB2 :: 2.355(D) HB3 :: 2.117(D) HG2 :: 3.103(S) HG3 :: 2.116(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.939(D) Ave N Shift Values>> N :: 120.68(3.68) K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 C 0.36 R 0.22 G 0.02 M 0.01 C Shift Assignments>> CA :: 59.672(D) CB :: 32.530(D) CG :: 25.475(D) CD :: 29.184(D) CE :: 42.461(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.578(D) HA :: 3.994(D) HB2 :: 1.978(D) HG2 :: 1.502(D) HD2 :: 1.750(D) HD3 :: 1.647(D) HE2 :: 3.020(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.995(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.43 C 0.34 R 0.18 G 0.02 C Shift Assignments>> CA :: 57.852(D) CB :: 42.550(D) CG :: 27.412(D) CD1 :: 23.659(D) CD2 :: 25.735(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.189(D) HA :: 4.087(D) HB2 :: 1.789(D) HB3 :: 1.306(D) HG :: 1.755(D) HD1 :: 0.803(D) HD2 :: 0.831(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.515(D) Ave N Shift Values>> N :: 121.98(4.07) L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 L 0.29 R 0.22 G 0.05 C Shift Assignments>> CA :: 58.382(D) CB :: 42.843(D) CG :: 26.943(D) CD1 :: 23.193(D) CD2 :: 26.993(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.182(D) HA :: 3.963(D) HB2 :: 2.137(D) HB3 :: 1.362(D) HG :: 1.955(D) HD1 :: 0.764(D) HD2 :: 0.800(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.539(D) Ave N Shift Values>> N :: 121.98(4.07) L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.36 R 0.11 G 0.01 HN Overlap>> D38 C Shift Assignments>> CA :: 58.564(D) CB :: 41.992(D) CG :: 27.424(D) CD1 :: 25.382(D) CD2 :: 23.193(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.985(D) HA :: 4.009(D) HB2 :: 1.973(D) HB3 :: 1.569(D) HG :: 1.887(D) HD1 :: 0.930(D) HD2 :: 0.937(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.046(D) Ave N Shift Values>> N :: 121.98(4.07) D27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.19 Y 0.17 C 0.15 D 0.14 L 0.13 K 0.11 N 0.03 I 0.03 R 0.01 C Shift Assignments>> CA :: 56.681(D) CB :: 40.548(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.245(D) HA :: 4.324(D) HB2 :: 2.789(D) HB3 :: 2.592(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.277(D) Ave N Shift Values>> N :: 120.73(4.2) T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 65.965(D) CB :: 68.740(D) CG2 :: 21.400(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.386(D) HA :: 3.957(D) HB :: 4.001(D) HG2 :: 1.220(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.622(D) Ave N Shift Values>> N :: 115.7(5.05) G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 C 0.22 L 0.03 P 0.02 A 0.02 C Shift Assignments>> CA :: 47.354(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.186(D) HA2 :: 3.572(D) HA3 :: 3.044(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.083(D) Ave N Shift Values>> N :: 109.91(4.29) K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 K 0.41 R 0.07 M 0.01 A 0.01 G 0.01 C Shift Assignments>> CA :: 54.373(D) CB :: 35.453(D) CG :: 23.923(D) CD :: 28.693(D) CE :: 41.943(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.250(D) HA :: 4.399(D) HB2 :: 1.079(D) HB3 :: 1.278(D) HG2 :: 1.054(D) HD2 :: 1.024(D) HE2 :: 2.499(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.839(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 C 0.34 M 0.09 I 0.08 K 0.06 Q 0.04 C Shift Assignments>> CA :: 58.028(D) CB :: 30.415(D) CG :: 36.193(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.795(D) HA :: 4.094(D) HB2 :: 1.962(D) HG2 :: 2.249(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.527(D) Ave N Shift Values>> N :: 120.68(3.68) G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.208(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.050(D) HA2 :: 4.515(D) HA3 :: 3.903(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.223(D) Ave N Shift Values>> N :: 109.91(4.29) A33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.78 M 0.19 C 0.02 C Shift Assignments>> CA :: 52.245(D) CB :: 18.823(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.651(D) HA :: 5.797(S) HB :: 1.568(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.028(D) Ave N Shift Values>> N :: 123.23(3.7) F34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.41 L 0.22 C 0.14 R 0.14 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 56.105(D) CB :: 44.857(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.026(D) HA :: 6.140(D) HB2 :: 2.940(D) HB3 :: 3.051(D) HD1 :: 7.486(D) HD2 :: 6.654(D) HE1 :: 6.703(D) HE2 :: 6.403(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.805(D) Ave N Shift Values>> N :: 120.69(4.18) M35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 A 0.26 M 0.11 I 0.09 C Shift Assignments>> CA :: 54.933(D) CB :: 37.433(D) CG :: 29.914(D) CE :: 16.694(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.818(D) HA :: 4.910(D) HB2 :: 2.694(D) HB3 :: 2.204(D) HG2 :: 2.515(D) HG3 :: 2.216(D) HE :: 1.970(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 112.090(D) Ave N Shift Values>> N :: 120.1(3.88) V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 V 0.41 C Shift Assignments>> CA :: 61.588(D) CB :: 33.924(D) CG1 :: 22.257(D) CG2 :: 24.657(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.422(D) HA :: 5.417(D) HB :: 2.407(D) HG1 :: 1.177(D) HG2 :: 0.967(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.207(D) Ave N Shift Values>> N :: 121.02(4.96) R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 G 0.41 R 0.12 K 0.02 C Shift Assignments>> CA :: 53.001(D) CB :: 33.977(D) CG :: 26.740(D) CD :: 44.153(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.613(D) HA :: 5.472(D) HB2 :: 2.268(D) HB3 :: 1.579(D) HG2 :: 1.580(D) HD2 :: 3.244(D) HD3 :: 2.746(D) HE :: 7.175(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.866(D) NE :: 117.931(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.2 L 0.18 K 0.15 F 0.13 C 0.12 Y 0.11 N 0.05 R 0.03 I 0.01 HN Overlap>> L26 V49 C Shift Assignments>> CA :: 55.629(D) CB :: 41.015(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.029(D) HA :: 4.894(D) HB2 :: 2.944(D) HB3 :: 2.730(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.080(D) Ave N Shift Values>> N :: 120.73(4.2) S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> T41 C Shift Assignments>> CA :: 56.378(D) CB :: 63.235(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.205(D) HA :: 4.754(D) HB2 :: 3.888(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.750(D) Ave N Shift Values>> N :: 116.3(3.95) R40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 E 0.14 C 0.14 R 0.13 H 0.1 Q 0.09 K 0.06 I 0.05 M 0.05 V 0.03 C Shift Assignments>> CA :: 58.714(D) CB :: 30.329(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.973(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.767(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.88 C 0.11 HN Overlap>> S39 C Shift Assignments>> CA :: 60.387(D) CB :: 68.917(D) CG2 :: 21.374(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.133(D) HA :: 4.515(D) HB :: 3.997(D) HG2 :: 1.220(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.781(D) Ave N Shift Values>> N :: 115.7(5.05) P42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 63.953(D) CB :: 32.230(D) CD :: 50.746(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.466(D) HB2 :: 2.306(D) HB3 :: 1.985(D) HG2 :: 2.046(D) HD2 :: 3.769(D) HD3 :: 3.736(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.344(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.599(D) HA2 :: 4.200(D) HA3 :: 3.696(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.952(D) Ave N Shift Values>> N :: 109.91(4.29) T44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.8 C 0.19 C Shift Assignments>> CA :: 60.464(D) CB :: 72.012(D) CG2 :: 21.694(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.466(D) HA :: 4.799(D) HB :: 4.369(D) HG2 :: 1.125(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.626(D) Ave N Shift Values>> N :: 115.7(5.05) Y45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 G 0.28 Y 0.14 C Shift Assignments>> CA :: 58.509(D) CB :: 43.462(D) CD1 :: 130.469(D) CE1 :: 115.029(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.675(D) HA :: 5.413(D) HB2 :: 2.681(D) HB3 :: 3.122(D) HD1 :: 7.126(D) HD2 :: 7.120(D) HE1 :: 6.808(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.005(D) Ave N Shift Values>> N :: 120.79(4.69) T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.54 T 0.45 C Shift Assignments>> CA :: 61.937(D) CB :: 73.067(D) CG2 :: 23.469(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.378(D) HA :: 5.148(D) HB :: 3.680(D) HG2 :: 1.241(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.968(D) Ave N Shift Values>> N :: 115.7(5.05) V47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 C 0.35 M 0.05 K 0.01 C Shift Assignments>> CA :: 61.078(D) CB :: 33.811(D) CG1 :: 21.877(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.513(D) HA :: 5.063(D) HB :: 2.265(D) HG1 :: 0.924(D) HG2 :: 0.929(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.812(D) Ave N Shift Values>> N :: 121.02(4.96) S48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.93 T 0.06 C Shift Assignments>> CA :: 58.617(D) CB :: 65.790(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.129(D) HA :: 5.668(D) HB2 :: 3.451(D) HB3 :: 3.618(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 126.735(D) Ave N Shift Values>> N :: 116.3(3.95) V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.75 V 0.15 I 0.07 HN Overlap>> D38 C Shift Assignments>> CA :: 59.505(D) CB :: 36.539(D) CG1 :: 22.681(D) CG2 :: 19.772(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.103(D) HA :: 5.545(D) HB :: 1.858(D) HG1 :: 0.964(D) HG2 :: 0.950(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.125(D) Ave N Shift Values>> N :: 121.02(4.96) F50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 L 0.19 R 0.18 C 0.11 F 0.11 Y 0.08 D 0.07 I 0.01 C Shift Assignments>> CA :: 57.132(D) CB :: 42.294(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.087(D) HA :: 5.085(D) HB2 :: 2.979(D) HB3 :: 3.422(D) HD1 :: 7.064 HD2 :: 7.017 HE1 :: 7.151(D) HZ :: 7.299(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.084(D) Ave N Shift Values>> N :: 120.69(4.18) T51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.78 C 0.2 A 0.01 C Shift Assignments>> CA :: 59.891(D) CB :: 71.031(D) CG2 :: 19.177(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.526(D) HA :: 4.942(D) HB :: 3.951(D) HG2 :: 1.061(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.526(D) Ave N Shift Values>> N :: 115.7(5.05) K52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.35 C 0.34 R 0.23 M 0.04 G 0.01 C Shift Assignments>> CA :: 56.308(D) CB :: 32.590(D) CG :: 25.186 CD :: 29.926 CE :: 42.229(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.254(D) HA :: 4.608(D) HB2 :: 1.974(D) HG2 :: 1.371 HD2 :: 1.786 HE2 :: 3.149(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.998(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.6 M 0.27 C 0.05 L 0.04 C Shift Assignments>> CA :: 53.454(D) CB :: 20.281(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.804(D) HA :: 4.137(D) HB :: 1.418(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.289(D) Ave N Shift Values>> N :: 123.23(3.7) I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 C 0.47 C Shift Assignments>> CA :: 59.849(D) CB :: 36.255(D) CG1 :: 26.688(D) CG2 :: 18.158(D) CD1 :: 12.443(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.887(D) HA :: 4.175(D) HB :: 2.054(D) HG2 :: 0.869(D) HG12 :: 1.307(D) HG13 :: 1.055(D) HD1 :: 0.822(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.495(D) Ave N Shift Values>> N :: 121.6(4.72) I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 64.450(D) CB :: 37.994(D) CG1 :: 27.702 CG2 :: 17.443(D) CD1 :: 13.149(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.224(D) HA :: 3.815(D) HB :: 1.920(D) HG2 :: 0.970(D) HG12 :: 1.558(D) HG13 :: 1.342(D) HD1 :: 0.922(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.429(D) Ave N Shift Values>> N :: 121.6(4.72) S56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.075(D) CB :: 63.217(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.786(D) HA :: 4.930(D) HB2 :: 3.964(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.540(D) Ave N Shift Values>> N :: 116.3(3.95) E57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.39 C 0.38 M 0.1 K 0.05 I 0.04 Q 0.02 C Shift Assignments>> CA :: 55.826(D) CB :: 30.344(D) CG :: 36.703 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.430(D) HA :: 4.277(D) HB2 :: 1.934(D) HB3 :: 1.711(D) HG2 :: 2.139(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.958(D) Ave N Shift Values>> N :: 120.68(3.68) N58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.24 C 0.21 L 0.04 F 0.02 G 0.02 Y 0.02 C Shift Assignments>> CA :: 49.351(D) CB :: 40.183(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.167(D) HA :: 5.022(D) HB2 :: 2.876(D) HB3 :: 2.789(D) HD21 :: 7.202(D) HD22 :: 6.516(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.311(D) ND2 :: 108.929(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.82 P 0.16 G 0.01 C Shift Assignments>> CA :: 63.889(D) CB :: 36.629(D) CG :: 27.879 CD :: 49.693(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.015(D) HB2 :: 2.111(D) HB3 :: 1.491(D) HG2 :: 2.145 HD2 :: 3.544(D) HD3 :: 3.692 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) C60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 R 0.14 H 0.14 Q 0.12 C 0.12 K 0.08 M 0.06 I 0.02 V 0.01 HN Overlap>> E7 C Shift Assignments>> CA :: 57.016(D) CB :: 30.184(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.313(D) HA :: 4.616(D) HB2 :: 2.938(D) HB3 :: 2.773 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.534(D) Ave N Shift Values>> N :: 119.95(4.79) I61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 I 0.35 A 0.05 M 0.01 C Shift Assignments>> CA :: 57.701(D) CB :: 37.389(D) CG1 :: 28.193 CG2 :: 19.356(D) CD1 :: 13.943(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.303(D) HA :: 4.957(D) HB :: 1.851(D) HG2 :: 0.405(D) HG12 :: 1.583(D) HG13 :: 1.437(D) HD1 :: 0.999(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.807(D) Ave N Shift Values>> N :: 121.6(4.72) K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 C 0.4 R 0.08 G 0.02 C Shift Assignments>> CA :: 52.743(D) CB :: 34.894(D) CG :: 24.619(D) CD :: 28.414(D) CE :: 42.078(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.743(D) HA :: 4.359(D) HB2 :: 1.492(D) HB3 :: 1.255(D) HG2 :: 1.233(D) HD2 :: 1.594(D) HE2 :: 2.803(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.558(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 H 0.4 W 0.1 Y 0.01 C Shift Assignments>> CA :: 54.472(D) CB :: 32.771(D) CD2 :: 117.805(D) CE1 :: 134.654(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.248(D) HA :: 5.365(D) HB2 :: 2.825(D) HB3 :: 2.552(D) HD2 :: 7.082(D) HE1 :: 7.313(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.558(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.65 Y 0.34 C Shift Assignments>> CA :: 56.542(D) CB :: 40.569(D) CD1 :: 130.484(D) CE1 :: 115.195(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.835(D) HA :: 4.839(D) HB2 :: 2.993(D) HB3 :: 2.828(D) HD1 :: 7.062 HD2 :: 7.062 HE1 :: 6.706(D) HE2 :: 6.697(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.018(D) Ave N Shift Values>> N :: 120.79(4.69) H65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.45 C 0.44 W 0.09 C Shift Assignments>> CA :: 57.088(D) CB :: 30.698(D) CD2 :: 116.886(D) CE1 :: 135.222(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.125(D) HA :: 4.923(D) HB2 :: 3.080(D) HD2 :: 7.294(D) HE1 :: 7.894(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.041(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.77 C 0.22 C Shift Assignments>> CA :: 63.175(D) CB :: 36.248(D) CG1 :: 28.419(D) CG2 :: 18.733(D) CD1 :: 13.930(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.856(D) HA :: 4.067(D) HB :: 2.258(D) HG2 :: 0.997(D) HG12 :: 1.787(D) HG13 :: 0.783(D) HD1 :: 0.803(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.827(D) Ave N Shift Values>> N :: 121.6(4.72) K67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.36 C 0.32 R 0.26 G 0.02 M 0.02 C Shift Assignments>> CA :: 55.369(D) CB :: 32.561(D) CG :: 25.685(D) CD :: 28.968(D) CE :: 42.687(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.802(D) HA :: 4.291(D) HB2 :: 1.329(D) HB3 :: 0.295(S) HG2 :: 1.360(D) HD2 :: 1.687(D) HE2 :: 3.125(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 132.536(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.61 M 0.26 E 0.11 C Shift Assignments>> CA :: 53.138(D) CB :: 33.146(D) CG :: 36.447(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.013(D) HA :: 5.464(D) HB2 :: 1.932(D) HG2 :: 2.361(D) HG3 :: 2.263(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.557(D) Ave N Shift Values>> N :: 120.68(3.68) T69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.72 C 0.27 C Shift Assignments>> CA :: 60.528(D) CB :: 70.343(D) CG2 :: 23.361(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.686(D) HA :: 4.683(D) HB :: 4.595(D) HG2 :: 1.229(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.050(D) Ave N Shift Values>> N :: 115.7(5.05) N70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 C 0.17 D 0.13 Y 0.06 F 0.04 L 0.01 E 0.01 M 0.01 C Shift Assignments>> CA :: 52.565(D) CB :: 38.257(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.468(D) HA :: 4.978(D) HB2 :: 2.978(D) HB3 :: 2.789(D) HD21 :: 7.598(D) HD22 :: 6.929(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.729(D) ND2 :: 113.133(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 G 0.21 R 0.21 C 0.12 D 0.06 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> CA :: 54.596(D) CB :: 44.135(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.261(D) HA :: 4.479(D) HB2 :: 2.371(D) HB3 :: 2.726(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.886(D) Ave N Shift Values>> N :: 120.73(4.2) S72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 54.453(D) CB :: 64.233(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.230(D) HA :: 4.713(D) HB2 :: 3.645(D) HB3 :: 3.803(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.722(D) Ave N Shift Values>> N :: 116.3(3.95) P73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.55 P 0.43 C Shift Assignments>> CA :: 63.017(D) CB :: 34.791(D) CG :: 25.420(D) CD :: 50.443(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.826(D) HB2 :: 2.494(D) HB3 :: 2.158(D) HG2 :: 1.969(D) HG3 :: 1.903(D) HD2 :: 3.642(D) HD3 :: 3.526(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 K 0.35 R 0.2 M 0.03 G 0.02 C Shift Assignments>> CA :: 58.195(D) CB :: 33.384(D) CG :: 24.708(D) CD :: 29.672(D) CE :: 42.612(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.196(D) HA :: 3.701(D) HB2 :: 1.733(D) HG2 :: 1.385(D) HG3 :: 1.623(D) HD2 :: 1.715(D) HE2 :: 3.095(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.087(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 R 0.21 G 0.2 K 0.13 HN Overlap>> R104 C Shift Assignments>> CA :: 54.648(D) CB :: 33.404(D) CG :: 28.693(D) CD :: 43.923(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.415(D) HA :: 4.640(D) HB2 :: 1.971(D) HB3 :: 1.533(D) HG2 :: 1.713(D) HD2 :: 3.047(D) HE :: 6.947(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.291(D) NE :: 121.485(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.2 C 0.14 G 0.1 F 0.07 K 0.05 Y 0.04 D 0.02 C Shift Assignments>> CA :: 57.629(D) CB :: 43.727(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.933(D) HA :: 5.881(D) HB2 :: 2.422(D) HB3 :: 2.875(D) HD1 :: 6.891(D) HD2 :: 6.880(D) HE1 :: 7.017(D) HE2 :: 7.000(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.099(D) Ave N Shift Values>> N :: 120.79(4.69) Y77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.69 Y 0.29 C Shift Assignments>> CA :: 57.965(D) CB :: 41.488(D) CD1 :: 130.499(D) CE1 :: 114.750(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.965(D) HA :: 5.365(D) HB2 :: 3.140(D) HB3 :: 3.272(D) HD1 :: 6.491(D) HD2 :: 6.494(D) HE1 :: 6.534(D) HE2 :: 6.526(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.974(D) Ave N Shift Values>> N :: 120.79(4.69) V78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 C 0.42 C Shift Assignments>> CA :: 62.488(D) CB :: 33.754(D) CG1 :: 24.167(D) CG2 :: 21.621(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 10.031(D) HA :: 4.665(D) HB :: 1.909(D) HG1 :: 0.831(D) HG2 :: 0.656(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.356(D) Ave N Shift Values>> N :: 121.02(4.96) A79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 L 0.2 M 0.14 C 0.11 K 0.01 C Shift Assignments>> CA :: 51.470(D) CB :: 21.878(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.440(D) HA :: 4.860(D) HB :: 1.730(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.014(D) Ave N Shift Values>> N :: 123.23(3.7) E80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 E 0.33 I 0.24 K 0.04 M 0.02 C Shift Assignments>> CA :: 59.586(D) CB :: 29.852(D) CG :: 36.792(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.860(D) HA :: 3.226(D) HB2 :: 1.866(D) HB3 :: 1.811(D) HG2 :: 2.212(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.339(D) Ave N Shift Values>> N :: 120.68(3.68) K81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 C 0.36 R 0.22 M 0.02 G 0.01 C Shift Assignments>> CA :: 57.693(D) CB :: 32.377(D) CG :: 25.464(D) CD :: 29.162(D) CE :: 42.179(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.865(D) HA :: 3.716(D) HB2 :: 1.423(D) HB3 :: 1.219(D) HG2 :: 1.163(D) HG3 :: 1.004(D) HD2 :: 1.501(D) HE2 :: 2.883(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.465(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 Y 0.36 C Shift Assignments>> CA :: 56.965(D) CB :: 39.013(D) CD1 :: 130.772(D) CE1 :: 114.995(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.944(D) HA :: 4.409(D) HB2 :: 3.192(D) HB3 :: 2.813(D) HD1 :: 6.981(D) HD2 :: 6.971(D) HE1 :: 6.783(D) HE2 :: 6.791(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.755(D) Ave N Shift Values>> N :: 120.79(4.69) V83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 V 0.46 C Shift Assignments>> CA :: 60.196(D) CB :: 33.859(D) CG1 :: 23.219(D) CG2 :: 20.701(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.246(D) HA :: 4.775(D) HB :: 1.575(D) HG1 :: 0.768(D) HG2 :: 0.552(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.502(D) Ave N Shift Values>> N :: 121.02(4.96) F84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.63 C 0.2 L 0.09 R 0.03 F 0.01 C Shift Assignments>> CA :: 57.715(D) CB :: 45.919(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.413(D) HA :: 4.966(D) HB2 :: 2.808(D) HB3 :: 3.352(D) HD1 :: 7.314(D) HD2 :: 7.304(D) HE1 :: 7.099(D) HE2 :: 7.092(D) HZ :: 6.143(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.856(D) Ave N Shift Values>> N :: 120.69(4.18) D85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 L 0.18 F 0.13 C 0.11 D 0.11 Y 0.1 R 0.08 I 0.01 N 0.01 C Shift Assignments>> CA :: 56.638(D) CB :: 41.560(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.267(D) HA :: 4.739(D) HB2 :: 2.682(D) HB3 :: 2.982(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.744(D) Ave N Shift Values>> N :: 120.73(4.2) S86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.84 T 0.15 C Shift Assignments>> CA :: 56.479(D) CB :: 66.609(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.737(D) HA :: 4.890(D) HB2 :: 4.005(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.099(D) Ave N Shift Values>> N :: 116.3(3.95) I87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.89 C 0.1 C Shift Assignments>> CA :: 66.722(D) CB :: 35.622(D) CG1 :: 30.687(D) CG2 :: 17.412(D) CD1 :: 14.201(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.047(D) HA :: 3.655(D) HB :: 1.568(D) HG2 :: 0.579(D) HG12 :: 0.648(D) HG13 :: 0.346(D) HD1 :: 0.559(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.301(D) Ave N Shift Values>> N :: 121.6(4.72) P88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.48 C 0.48 G 0.03 C Shift Assignments>> CA :: 66.747(D) CB :: 31.062(D) CG :: 29.443(D) CD :: 49.443(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.022(D) HB2 :: 2.133(D) HB3 :: 1.722(D) HG2 :: 2.260(D) HG3 :: 1.385(D) HD2 :: 3.725(D) HD3 :: 3.454(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 C 0.35 R 0.24 G 0.01 C Shift Assignments>> CA :: 58.072(D) CB :: 42.249(D) CG :: 27.934(D) CD1 :: 26.112(D) CD2 :: 22.747(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.339(D) HA :: 4.024(D) HB2 :: 1.966(D) HB3 :: 1.601(D) HG :: 1.658(D) HD1 :: 1.183(D) HD2 :: 1.039(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.124(D) Ave N Shift Values>> N :: 121.98(4.07) L90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.42 C 0.35 K 0.09 L 0.08 G 0.04 C Shift Assignments>> CA :: 58.120(D) CB :: 42.918(D) CG :: 27.192(D) CD1 :: 28.879(D) CD2 :: 25.216(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.264(D) HA :: 2.714(S) HB2 :: 2.194(D) HB3 :: 1.574(D) HG :: 1.887(D) HD1 :: 1.250(D) HD2 :: 0.703(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.874(D) Ave N Shift Values>> N :: 121.98(4.07) I91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.92 I 0.06 C Shift Assignments>> CA :: 61.172(D) CB :: 34.779(D) CG1 :: 25.211(D) CG2 :: 16.236(D) CD1 :: 8.432(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.014(D) HA :: 3.132(D) HB :: 1.403(D) HG2 :: -0.290(S) HG12 :: 1.050(D) HG13 :: -0.498(S) HD1 :: -0.073(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.025(D) Ave N Shift Values>> N :: 121.6(4.72) Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 E 0.2 K 0.19 Q 0.19 I 0.06 M 0.02 R 0.02 C Shift Assignments>> CA :: 59.012(D) CB :: 28.997(D) CG :: 34.619(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.880(D) HA :: 4.122(D) HB2 :: 2.176(D) HB3 :: 2.114(D) HG2 :: 2.518(D) HG3 :: 2.442(D) HE21 :: 7.489(D) HE22 :: 6.889(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.513(D) NE2 :: 111.556(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 F 0.16 C 0.14 Y 0.13 C Shift Assignments>> CA :: 62.605(D) CB :: 39.359(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.684(D) HA :: 3.980(D) HB2 :: 2.731(D) HB3 :: 2.355(D) HD1 :: 6.317(D) HD2 :: 6.309(D) HE1 :: 7.302(D) HE2 :: 7.304(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.438(D) Ave N Shift Values>> N :: 120.79(4.69) H94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 W 0.33 H 0.3 C Shift Assignments>> CA :: 57.864(D) CB :: 28.183(D) CD2 :: 115.415(D) CE1 :: 135.416(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.761(D) HA :: 4.690(D) HB2 :: 3.068(D) HB3 :: 2.665(D) HD1 :: 10.875(D) HD2 :: 6.930(D) HE1 :: 7.749(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.591(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 Q 0.21 E 0.2 K 0.14 M 0.14 I 0.01 R 0.01 C Shift Assignments>> CA :: 57.460(D) CB :: 30.370(D) CG :: 34.451(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.869(D) HA :: 4.549(D) HB2 :: 1.989(D) HB3 :: 1.560(D) HG2 :: 2.268(D) HG3 :: 1.790(D) HE21 :: 7.019(D) HE22 :: 6.885(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.206(D) NE2 :: 109.665(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.64 Y 0.35 C Shift Assignments>> CA :: 58.405(D) CB :: 40.355(D) CD1 :: 130.450(D) CE1 :: 115.007(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.980(D) HA :: 4.458(D) HB2 :: 2.615(D) HB3 :: 3.088(D) HD1 :: 7.192 HD2 :: 7.192 HE1 :: 6.810(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.084(D) Ave N Shift Values>> N :: 120.79(4.69) N97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> D 0.33 L 0.18 N 0.16 C 0.11 K 0.07 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> CA :: 52.194(D) CB :: 41.481(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.710(D) HA :: 4.635(D) HB2 :: 2.051(D) HB3 :: 1.609(S) HD21 :: 6.960(D) HD22 :: 6.860 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.805(D) ND2 :: 117.831(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> CA :: 46.588(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.778(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.777(D) Ave N Shift Values>> N :: 109.91(4.29) G99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> CA :: 46.964(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.245(D) HA2 :: 3.607 HA3 :: 3.607 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.496(D) Ave N Shift Values>> N :: 109.91(4.29) G100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> CA :: 45.473(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.352(D) HA2 :: 3.662(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.277(D) Ave N Shift Values>> N :: 109.91(4.29) L101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.34 L 0.3 C 0.21 G 0.09 R 0.03 HN Overlap>> I115 C Shift Assignments>> CA :: 54.072(D) CB :: 43.320(D) CG :: 26.914(D) CD1 :: 24.254(D) CD2 :: 20.749(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.728(D) HA :: 4.300(D) HB2 :: 1.842(D) HB3 :: 1.178(D) HG :: 1.199(D) HD1 :: 0.219(D) HD2 :: -0.191(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.002(D) Ave N Shift Values>> N :: 121.98(4.07) V102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.81 C 0.16 I 0.01 C Shift Assignments>> CA :: 63.475(D) CB :: 32.062(D) CG1 :: 21.448(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.532(D) HA :: 3.922(D) HB :: 2.202(D) HG1 :: 0.971(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.555(D) Ave N Shift Values>> N :: 121.02(4.96) T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.85 C 0.13 C Shift Assignments>> CA :: 59.435(D) CB :: 69.898(D) CG2 :: 20.697(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.097(D) HA :: 4.432(D) HB :: 4.062(D) HG2 :: 1.150(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.591(D) Ave N Shift Values>> N :: 115.7(5.05) R104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 C 0.38 G 0.13 K 0.07 HN Overlap>> R75 C Shift Assignments>> CA :: 56.229(D) CB :: 31.833(D) CG :: 27.191 CD :: 43.908 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.399(D) HA :: 4.162(D) HB2 :: 1.479(D) HG2 :: 1.403(D) HG3 :: 1.243(D) HD2 :: 2.830(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.281(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.5 A 0.49 HN Overlap>> I16 C Shift Assignments>> CA :: 53.561(D) CB :: 37.041(D) CG :: 25.330(D) CD1 :: 21.140(D) CD2 :: 26.197(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.503(D) HA :: 3.784(D) HB2 :: 0.713(D) HB3 :: -1.006(S) HG :: 1.109(D) HD1 :: 0.174(D) HD2 :: 0.089(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.774(D) Ave N Shift Values>> N :: 121.98(4.07) R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 R 0.2 K 0.19 G 0.09 C Shift Assignments>> CA :: 57.863(D) CB :: 34.088(D) CG :: 27.662 CD :: 43.423 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.405(D) HA :: 4.294(D) HB2 :: 1.406(D) HG2 :: 1.128(D) HG3 :: 1.410 HD2 :: 3.071(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.298(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 N 0.15 L 0.14 C 0.12 F 0.1 Y 0.09 K 0.05 C Shift Assignments>> CA :: 54.432 CB :: 40.386 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.730(D) HA :: 5.329(D) HB2 :: 3.066(D) HB3 :: 2.623(D) HD1 :: 7.077 HD2 :: 7.059 HE1 :: 6.928(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.520(D) Ave N Shift Values>> N :: 120.79(4.69) P108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.323(D) CB :: 32.950(D) CG :: 27.439(D) CD :: 50.693(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.670(D) HB2 :: 1.854(D) HB3 :: 1.732(D) HG2 :: 2.145(D) HG3 :: 2.326(D) HD2 :: 3.880(D) HD3 :: 3.924(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 C 0.35 C Shift Assignments>> CA :: 61.950(D) CB :: 33.431(D) CG1 :: 23.412(D) CG2 :: 21.453(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.310(D) HA :: 4.133(D) HB :: 1.707(D) HG1 :: 1.064(D) HG2 :: 0.732(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.508(D) Ave N Shift Values>> N :: 121.02(4.96) C110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 Q 0.14 W 0.13 E 0.12 H 0.12 C 0.11 R 0.09 I 0.04 M 0.02 L 0.02 C Shift Assignments>> CA :: 57.446(D) CB :: 28.939(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.324(D) HA :: 4.794(D) HB2 :: 2.987(D) HB3 :: 2.891(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.047(D) Ave N Shift Values>> N :: 119.95(4.79) G111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.529(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.611(D) HA2 :: 4.084(D) HA3 :: 3.670(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.030(D) Ave N Shift Values>> N :: 109.91(4.29) S112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 56.089(D) CB :: 63.495(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.091(D) HA :: 4.813(D) HB2 :: 3.869(D) HB3 :: 3.837(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.006(D) Ave N Shift Values>> N :: 116.3(3.95) P113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> CA :: 63.806(D) CB :: 32.313(D) CG :: 27.474(D) CD :: 50.953(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.556(D) HB2 :: 2.399(D) HB3 :: 2.032(D) HG2 :: 2.121(D) HD2 :: 3.937(D) HD3 :: 3.868(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.397(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.461(D) HA2 :: 4.221(D) HA3 :: 3.707(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.559(D) Ave N Shift Values>> N :: 109.91(4.29) I115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 C 0.3 HN Overlap>> L101 C Shift Assignments>> CA :: 61.146(D) CB :: 38.959(D) CG1 :: 27.161(D) CG2 :: 17.467(D) CD1 :: 12.943(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.832(D) HA :: 4.168(D) HB :: 1.808(D) HG2 :: 0.824(D) HG12 :: 1.315(D) HG13 :: 1.132(D) HD1 :: 0.821(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.987(D) Ave N Shift Values>> N :: 121.6(4.72) H116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.46 C 0.43 W 0.09 C Shift Assignments>> CA :: 56.424(D) CB :: 30.879(D) CD2 :: 116.712(D) CE1 :: 135.637(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.420(D) HA :: 4.654(D) HB2 :: 3.072(D) HD2 :: 6.982(D) HE1 :: 7.790(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.354(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.43 C 0.37 K 0.11 G 0.08 C Shift Assignments>> CA :: 55.943(D) CB :: 31.416(D) CG :: 26.983(D) CD :: 43.480(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.214(D) HA :: 4.399(D) HB2 :: 1.878(D) HB3 :: 1.728(D) HG2 :: 1.606(D) HD2 :: 3.198(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.475(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.17 K 0.16 D 0.09 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CB :: 42.423(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.025(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.786(D) Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 3 #Clerical: 106 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 115 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 12 #Duplicate: 356 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 17 #Duplicate: 606 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 117 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: N4 CA = 53.231(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.1830e-01 N4 CB = 39.193(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.6461e-01 N4 HA = 4.758(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.8178e-01 N4 HB2 = 2.839(D), Expected = 2.80, Std = 0.3400, ChiSquare = 9.0868e-01 N4 HD21 = 7.730(D), Expected = 7.27, Std = 0.5200, ChiSquare = 3.7636e-01 N4 HD22 = 6.737(D), Expected = 7.20, Std = 0.5200, ChiSquare = 3.7326e-01 N4 ND2 = 113.199(D), Expected = 112.83, Std = 2.6000, ChiSquare = 8.8714e-01 N5 CA = 53.513(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.6587e-01 N5 CB = 38.449(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.0564e-01 N5 HA = 4.751(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.9596e-01 N5 HB2 = 2.964(D), Expected = 2.80, Std = 0.3400, ChiSquare = 6.2956e-01 N5 HB3 = 2.896(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.3297e-01 N5 HD21 = 6.984(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.8232e-01 N5 HD22 = 7.653(D), Expected = 7.20, Std = 0.5200, ChiSquare = 3.8367e-01 N5 ND2 = 112.658(D), Expected = 112.83, Std = 2.6000, ChiSquare = 9.4726e-01 L6 CA = 56.684(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.3987e-01 L6 CB = 40.582(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.3641e-01 L6 CG = 26.654(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.2606e-01 L6 CD1 = 24.899(D), Expected = 24.73, Std = 1.7100, ChiSquare = 9.2127e-01 L6 CD2 = 22.655(D), Expected = 24.10, Std = 1.7800, ChiSquare = 4.1691e-01 L6 H = 8.432(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.4431e-01 L6 HA = 4.056(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.7432e-01 L6 HB2 = 0.785(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.2944e-02 L6 HG = 1.249(D), Expected = 1.54, Std = 0.3300, ChiSquare = 3.7788e-01 L6 HD1 = -0.002(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.2463e-03 L6 HD2 = 0.414(D), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1656e-01 L6 N = 122.824(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.3572e-01 E7 CA = 59.181(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.2133e-01 E7 CB = 29.467(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.4313e-01 E7 CG = 37.704(D), Expected = 36.01, Std = 1.5100, ChiSquare = 2.6192e-01 E7 H = 8.234(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.6205e-01 E7 HA = 4.279(D), Expected = 4.26, Std = 0.4300, ChiSquare = 9.6476e-01 E7 HB2 = 2.104(D), Expected = 2.04, Std = 0.2200, ChiSquare = 7.7112e-01 E7 HB3 = 2.201(D), Expected = 2.04, Std = 0.2300, ChiSquare = 4.8393e-01 E7 HG2 = 2.463(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.6626e-01 E7 N = 114.524(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.4362e-02 T8 CA = 62.679(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.4580e-01 T8 CB = 69.207(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.9895e-01 T8 CG2 = 21.213(D), Expected = 21.44, Std = 1.3900, ChiSquare = 8.7028e-01 T8 H = 7.487(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.0662e-01 T8 HA = 4.045(D), Expected = 4.48, Std = 0.5000, ChiSquare = 3.8430e-01 T8 HB = 3.995(D), Expected = 4.17, Std = 0.3700, ChiSquare = 6.3623e-01 T8 HG2 = 0.975(D), Expected = 1.16, Std = 0.2800, ChiSquare = 5.0880e-01 T8 N = 109.582(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.2571e-01 Y9 CA = 58.394(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.8734e-01 Y9 CB = 37.945(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.8586e-01 Y9 CD1 = 130.056(D), Expected = 132.54, Std = 1.3500, ChiSquare = 6.5768e-02 Y9 H = 7.545(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.7133e-01 Y9 HA = 4.123(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.6528e-01 Y9 HB2 = 1.490(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.2412e-04 Y9 HB3 = 0.649(S), Expected = 2.91, Std = 0.3700, ChiSquare = 9.9126e-10 Y9 HD1 = 6.915(D), Expected = 6.87, Std = 0.6500, ChiSquare = 9.4481e-01 Y9 HD2 = 6.902(D), Expected = 6.86, Std = 0.6800, ChiSquare = 9.5075e-01 Y9 HE1 = 6.759(D), Expected = 6.64, Std = 0.5800, ChiSquare = 8.3744e-01 Y9 HE2 = 6.747(D), Expected = 6.63, Std = 0.6100, ChiSquare = 8.4790e-01 Y9 N = 121.520(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.7631e-01 E10 CA = 58.559(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.0300e-01 E10 CB = 29.767(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.6920e-01 E10 CG = 36.414(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.8905e-01 E10 H = 9.175(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.7105e-01 E10 HA = 4.037(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.0404e-01 E10 HB2 = 2.071(D), Expected = 2.04, Std = 0.2200, ChiSquare = 8.8794e-01 E10 HB3 = 1.995(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.4488e-01 E10 HG2 = 2.245(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.5692e-01 E10 N = 123.328(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.7179e-01 W11 CA = 53.341(D), Expected = 57.71, Std = 2.6500, ChiSquare = 9.9213e-02 W11 CB = 30.953(D), Expected = 30.16, Std = 2.1900, ChiSquare = 7.1728e-01 W11 H = 6.194(D), Expected = 8.35, Std = 0.8400, ChiSquare = 1.0268e-02 W11 HA = 4.394(D), Expected = 4.74, Std = 0.5500, ChiSquare = 5.2929e-01 W11 HB2 = 3.536(D), Expected = 3.22, Std = 0.3600, ChiSquare = 3.8006e-01 W11 HB3 = 2.697(D), Expected = 3.18, Std = 0.3600, ChiSquare = 1.7970e-01 W11 HE1 = 10.937(D), Expected = 10.13, Std = 0.5300, ChiSquare = 1.2785e-01 W11 HE3 = 7.256(D), Expected = 7.17, Std = 1.0300, ChiSquare = 9.3346e-01 W11 HZ2 = 6.582(D), Expected = 7.14, Std = 0.8900, ChiSquare = 5.3068e-01 W11 HZ3 = 6.551(D), Expected = 6.68, Std = 1.0200, ChiSquare = 8.9936e-01 W11 HH2 = 6.163(D), Expected = 6.82, Std = 0.9400, ChiSquare = 4.8459e-01 W11 N = 108.605(D), Expected = 121.87, Std = 4.5800, ChiSquare = 3.7761e-03 Y12 CA = 56.778(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.3803e-01 Y12 CB = 38.018(D), Expected = 39.16, Std = 2.2300, ChiSquare = 6.0858e-01 Y12 CD1 = 130.084(D), Expected = 132.54, Std = 1.3500, ChiSquare = 6.8872e-02 Y12 H = 7.481(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.3589e-01 Y12 HA = 5.586(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.7796e-02 Y12 HB2 = 2.740(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.4590e-01 Y12 HB3 = 2.941(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.3323e-01 Y12 HD1 = 6.911(D), Expected = 6.87, Std = 0.6500, ChiSquare = 9.4971e-01 Y12 HD2 = 6.895(D), Expected = 6.86, Std = 0.6800, ChiSquare = 9.5895e-01 Y12 HE1 = 6.871(D), Expected = 6.64, Std = 0.5800, ChiSquare = 6.9043e-01 Y12 HE2 = 6.867(D), Expected = 6.63, Std = 0.6100, ChiSquare = 6.9763e-01 Y12 N = 123.271(D), Expected = 120.79, Std = 4.6900, ChiSquare = 5.9681e-01 N13 CA = 51.775(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.9361e-01 N13 CB = 41.817(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.6130e-02 N13 H = 8.732(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.7758e-01 N13 HA = 4.762(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.7369e-01 N13 HB2 = 2.650(D), Expected = 2.80, Std = 0.3400, ChiSquare = 6.5909e-01 N13 HB3 = 2.512(D), Expected = 2.78, Std = 0.3400, ChiSquare = 4.3056e-01 N13 HD21 = 6.712(D), Expected = 7.27, Std = 0.5200, ChiSquare = 2.8324e-01 N13 HD22 = 7.987(D), Expected = 7.20, Std = 0.5200, ChiSquare = 1.3016e-01 N13 N = 128.815(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.8439e-02 N13 ND2 = 114.432(D), Expected = 112.83, Std = 2.6000, ChiSquare = 5.3779e-01 K14 CA = 57.444(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.8836e-01 K14 CB = 32.986(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.3387e-01 K14 CG = 24.684(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.6303e-01 K14 CD = 29.966(D), Expected = 28.78, Std = 1.3900, ChiSquare = 3.9353e-01 K14 CE = 42.422(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.1240e-01 K14 H = 7.494(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.5664e-01 K14 HA = 3.889(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.8491e-01 K14 HB2 = 1.804(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.5534e-01 K14 HG2 = 1.526(D), Expected = 1.38, Std = 0.2700, ChiSquare = 5.8869e-01 K14 HD2 = 1.794(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.6173e-01 K14 HE2 = 3.106(D), Expected = 2.93, Std = 0.2000, ChiSquare = 3.7886e-01 K14 N = 122.470(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.4993e-01 S15 CA = 59.074(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.1209e-01 S15 CB = 62.551(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.2630e-01 S15 H = 8.417(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.3770e-01 S15 HA = 4.349(D), Expected = 4.51, Std = 0.4300, ChiSquare = 7.0809e-01 S15 HB2 = 3.970(D), Expected = 3.88, Std = 0.2900, ChiSquare = 7.5630e-01 S15 HB3 = 4.018(D), Expected = 3.87, Std = 0.3100, ChiSquare = 6.3306e-01 S15 N = 115.970(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.3342e-01 I16 CA = 60.528(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.0245e-01 I16 CB = 39.943(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.1430e-01 I16 CG1 = 27.967(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.9132e-01 I16 CG2 = 17.665(D), Expected = 17.36, Std = 1.6000, ChiSquare = 8.4882e-01 I16 CD1 = 13.908(D), Expected = 13.41, Std = 1.9100, ChiSquare = 7.9430e-01 I16 H = 7.560(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.2417e-01 I16 HA = 4.467(D), Expected = 4.20, Std = 0.5600, ChiSquare = 6.3351e-01 I16 HB = 1.778(D), Expected = 1.80, Std = 0.3100, ChiSquare = 9.4342e-01 I16 HG2 = 0.930(D), Expected = 0.80, Std = 0.2900, ChiSquare = 6.5395e-01 I16 HG12 = 1.491(D), Expected = 1.30, Std = 0.4000, ChiSquare = 6.3301e-01 I16 HG13 = 1.341(D), Expected = 1.24, Std = 0.4000, ChiSquare = 8.0065e-01 I16 HD1 = 0.768(D), Expected = 0.70, Std = 0.3000, ChiSquare = 8.2068e-01 I16 N = 120.782(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.6241e-01 S17 CA = 57.124(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.9519e-01 S17 CB = 65.516(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.7440e-01 S17 H = 8.182(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.6171e-01 S17 HA = 4.571(D), Expected = 4.51, Std = 0.4300, ChiSquare = 8.8719e-01 S17 HB2 = 4.349(D), Expected = 3.88, Std = 0.2900, ChiSquare = 1.0583e-01 S17 HB3 = 4.074(D), Expected = 3.87, Std = 0.3100, ChiSquare = 5.1050e-01 S17 N = 122.475(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.1798e-01 R18 CA = 60.826(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.0777e-01 R18 CB = 30.688(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.8738e-01 R18 CG = 27.439(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.3768e-01 R18 CD = 43.415(D), Expected = 43.10, Std = 1.1000, ChiSquare = 7.7460e-01 R18 H = 9.044(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.8025e-01 R18 HA = 3.589(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2169e-01 R18 HB2 = 1.720(D), Expected = 1.79, Std = 0.2800, ChiSquare = 8.0259e-01 R18 HB3 = 1.970(D), Expected = 1.78, Std = 0.2800, ChiSquare = 4.9741e-01 R18 HG2 = 1.335(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.6419e-01 R18 HG3 = 0.849(D), Expected = 1.58, Std = 0.2700, ChiSquare = 6.7811e-03 R18 HD2 = 2.974(D), Expected = 3.13, Std = 0.2300, ChiSquare = 4.9761e-01 R18 N = 122.788(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.7653e-01 D19 CA = 57.319(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.8258e-01 D19 CB = 40.768(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.6752e-01 D19 H = 8.475(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.9920e-01 D19 HA = 4.343(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.8908e-01 D19 HB2 = 2.604(D), Expected = 2.74, Std = 0.2900, ChiSquare = 6.3909e-01 D19 HB3 = 2.648(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.5769e-01 D19 N = 116.206(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.8142e-01 K20 CA = 58.849(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.7192e-01 K20 CB = 32.257(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.6053e-01 K20 CE = 42.375(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.4376e-01 K20 H = 7.683(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.0143e-01 K20 HA = 4.107(D), Expected = 4.28, Std = 0.4500, ChiSquare = 7.0065e-01 K20 HB2 = 1.905(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.4552e-01 K20 HG2 = 1.493(D), Expected = 1.38, Std = 0.2700, ChiSquare = 6.7557e-01 K20 HD2 = 1.767(D), Expected = 1.61, Std = 0.2500, ChiSquare = 5.3000e-01 K20 HE2 = 3.008(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.9654e-01 K20 N = 121.830(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.7051e-01 A21 CA = 55.686(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.2012e-01 A21 CB = 19.569(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.1763e-01 A21 H = 8.666(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3736e-01 A21 HA = 3.909(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.0332e-01 A21 HB = 1.592(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.9644e-01 A21 N = 122.725(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.9144e-01 E22 CA = 61.097(D), Expected = 57.42, Std = 2.1900, ChiSquare = 9.3153e-02 E22 CB = 28.990(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.5723e-01 E22 CG = 37.896(D), Expected = 36.01, Std = 1.5100, ChiSquare = 2.1166e-01 E22 H = 8.392(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.3207e-01 E22 HA = 3.889(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.8825e-01 E22 HB2 = 2.355(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.5220e-01 E22 HB3 = 2.117(D), Expected = 2.04, Std = 0.2300, ChiSquare = 7.3779e-01 E22 HG2 = 3.103(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.5925e-04 E22 HG3 = 2.116(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.5559e-01 E22 N = 114.939(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.1875e-01 K23 CA = 59.672(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.0815e-01 K23 CB = 32.530(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.7322e-01 K23 CG = 25.475(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.6625e-01 K23 CD = 29.184(D), Expected = 28.78, Std = 1.3900, ChiSquare = 7.7132e-01 K23 CE = 42.461(D), Expected = 41.78, Std = 0.9800, ChiSquare = 4.8712e-01 K23 H = 7.578(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.1580e-01 K23 HA = 3.994(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.2507e-01 K23 HB2 = 1.978(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.5205e-01 K23 HG2 = 1.502(D), Expected = 1.38, Std = 0.2700, ChiSquare = 6.5138e-01 K23 HD2 = 1.750(D), Expected = 1.61, Std = 0.2500, ChiSquare = 5.7548e-01 K23 HD3 = 1.647(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.8234e-01 K23 HE2 = 3.020(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.5271e-01 K23 N = 118.995(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.9836e-01 L24 CA = 57.852(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.1907e-01 L24 CB = 42.550(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.2291e-01 L24 CG = 27.412(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.0753e-01 L24 CD1 = 23.659(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.3111e-01 L24 CD2 = 25.735(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.5834e-01 L24 H = 8.189(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.6196e-01 L24 HA = 4.087(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.2007e-01 L24 HB2 = 1.789(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.4004e-01 L24 HB3 = 1.306(D), Expected = 1.57, Std = 0.3600, ChiSquare = 4.6336e-01 L24 HG = 1.755(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.1471e-01 L24 HD1 = 0.803(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0272e-01 L24 HD2 = 0.831(D), Expected = 0.76, Std = 0.2800, ChiSquare = 7.9983e-01 L24 N = 118.515(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.9457e-01 L25 CA = 58.382(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.1638e-01 L25 CB = 42.843(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.9926e-01 L25 CG = 26.943(D), Expected = 26.77, Std = 1.2500, ChiSquare = 8.8992e-01 L25 CD1 = 23.193(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.6874e-01 L25 CD2 = 26.993(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.0410e-01 L25 H = 8.182(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.5338e-01 L25 HA = 3.963(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.4751e-01 L25 HB2 = 2.137(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.3591e-01 L25 HB3 = 1.362(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.6341e-01 L25 HG = 1.955(D), Expected = 1.54, Std = 0.3300, ChiSquare = 2.0855e-01 L25 HD1 = 0.764(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.8227e-01 L25 HD2 = 0.800(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.8640e-01 L25 N = 119.539(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.4867e-01 L26 CA = 58.564(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.8732e-01 L26 CB = 41.992(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.3896e-01 L26 CG = 27.424(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.0083e-01 L26 CD1 = 25.382(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.0299e-01 L26 CD2 = 23.193(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.1037e-01 L26 H = 8.985(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.3923e-01 L26 HA = 4.009(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.0816e-01 L26 HB2 = 1.973(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.1306e-01 L26 HB3 = 1.569(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.9778e-01 L26 HG = 1.887(D), Expected = 1.54, Std = 0.3300, ChiSquare = 2.9302e-01 L26 HD1 = 0.930(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5345e-01 L26 HD2 = 0.937(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.2729e-01 L26 N = 123.046(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.9339e-01 D27 CA = 56.681(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.0346e-01 D27 CB = 40.548(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.2748e-01 D27 H = 8.245(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.8146e-01 D27 HA = 4.324(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.5623e-01 D27 HB2 = 2.789(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.6582e-01 D27 HB3 = 2.592(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.0958e-01 D27 N = 118.277(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.5919e-01 T28 CA = 65.965(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.6074e-01 T28 CB = 68.740(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.9652e-01 T28 CG2 = 21.400(D), Expected = 21.44, Std = 1.3900, ChiSquare = 9.7704e-01 T28 H = 7.386(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.5392e-01 T28 HA = 3.957(D), Expected = 4.48, Std = 0.5000, ChiSquare = 2.9556e-01 T28 HB = 4.001(D), Expected = 4.17, Std = 0.3700, ChiSquare = 6.4785e-01 T28 HG2 = 1.220(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.3032e-01 T28 N = 113.622(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.8072e-01 G29 CA = 47.354(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.5406e-01 G29 H = 7.186(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.1889e-01 G29 HA2 = 3.572(D), Expected = 3.95, Std = 0.4000, ChiSquare = 3.4466e-01 G29 HA3 = 3.044(D), Expected = 3.93, Std = 0.4000, ChiSquare = 2.6760e-02 G29 N = 106.083(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.7235e-01 K30 CA = 54.373(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.7288e-01 K30 CB = 35.453(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.6295e-01 K30 CG = 23.923(D), Expected = 24.91, Std = 1.3100, ChiSquare = 4.5119e-01 K30 CD = 28.693(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.5009e-01 K30 CE = 41.943(D), Expected = 41.78, Std = 0.9800, ChiSquare = 8.6790e-01 K30 H = 6.250(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.0831e-03 K30 HA = 4.399(D), Expected = 4.28, Std = 0.4500, ChiSquare = 7.9144e-01 K30 HB2 = 1.079(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.4551e-03 K30 HB3 = 1.278(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.3512e-02 K30 HG2 = 1.054(D), Expected = 1.38, Std = 0.2700, ChiSquare = 2.2728e-01 K30 HD2 = 1.024(D), Expected = 1.61, Std = 0.2500, ChiSquare = 1.9078e-02 K30 HE2 = 2.499(D), Expected = 2.93, Std = 0.2000, ChiSquare = 3.1162e-02 K30 N = 117.839(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.1907e-01 E31 CA = 58.028(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.8130e-01 E31 CB = 30.415(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.5127e-01 E31 CG = 36.193(D), Expected = 36.01, Std = 1.5100, ChiSquare = 9.0354e-01 E31 H = 8.795(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.5573e-01 E31 HA = 4.094(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.9946e-01 E31 HB2 = 1.962(D), Expected = 2.04, Std = 0.2200, ChiSquare = 7.2293e-01 E31 HG2 = 2.249(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.7145e-01 E31 N = 125.527(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.8780e-01 G32 CA = 47.208(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.8599e-01 G32 H = 9.050(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.3733e-01 G32 HA2 = 4.515(D), Expected = 3.95, Std = 0.4000, ChiSquare = 1.5780e-01 G32 HA3 = 3.903(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.4618e-01 G32 N = 115.223(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.1554e-01 A33 CA = 52.245(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.5692e-01 A33 CB = 18.823(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.6680e-01 A33 H = 8.651(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5225e-01 A33 HA = 5.797(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.5268e-04 A33 HB = 1.568(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.5205e-01 A33 N = 127.028(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.0466e-01 F34 CA = 56.105(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.3204e-01 F34 CB = 44.857(D), Expected = 39.95, Std = 2.0400, ChiSquare = 1.6155e-02 F34 H = 9.026(D), Expected = 8.42, Std = 0.7400, ChiSquare = 4.1283e-01 F34 HA = 6.140(D), Expected = 4.62, Std = 0.5800, ChiSquare = 8.7752e-03 F34 HB2 = 2.940(D), Expected = 2.99, Std = 0.3700, ChiSquare = 8.9251e-01 F34 HB3 = 3.051(D), Expected = 2.97, Std = 0.3800, ChiSquare = 8.3120e-01 F34 HD1 = 7.486(D), Expected = 6.91, Std = 0.8200, ChiSquare = 4.8241e-01 F34 HD2 = 6.654(D), Expected = 6.89, Std = 0.8600, ChiSquare = 7.8376e-01 F34 HE1 = 6.703(D), Expected = 6.95, Std = 0.8200, ChiSquare = 7.6325e-01 F34 HE2 = 6.403(D), Expected = 6.94, Std = 0.8600, ChiSquare = 5.3235e-01 F34 N = 120.805(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.7805e-01 M35 CA = 54.933(D), Expected = 56.16, Std = 2.3400, ChiSquare = 6.0003e-01 M35 CB = 37.433(D), Expected = 32.90, Std = 2.2300, ChiSquare = 4.2079e-02 M35 CG = 29.914(D), Expected = 32.07, Std = 1.4500, ChiSquare = 1.3704e-01 M35 CE = 16.694(D), Expected = 17.21, Std = 3.4200, ChiSquare = 8.8007e-01 M35 H = 8.818(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.5237e-01 M35 HA = 4.910(D), Expected = 4.39, Std = 0.4600, ChiSquare = 2.5829e-01 M35 HB2 = 2.694(D), Expected = 2.03, Std = 0.3800, ChiSquare = 8.0574e-02 M35 HB3 = 2.204(D), Expected = 2.01, Std = 0.3600, ChiSquare = 5.8996e-01 M35 HG2 = 2.515(D), Expected = 2.44, Std = 0.3600, ChiSquare = 8.3497e-01 M35 HG3 = 2.216(D), Expected = 2.41, Std = 0.4000, ChiSquare = 6.2768e-01 M35 HE = 1.970(D), Expected = 1.86, Std = 0.4700, ChiSquare = 8.1495e-01 M35 N = 112.090(D), Expected = 120.10, Std = 3.8800, ChiSquare = 3.8977e-02 V36 CA = 61.588(D), Expected = 62.48, Std = 3.0400, ChiSquare = 7.6920e-01 V36 CB = 33.924(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.0811e-01 V36 CG1 = 22.257(D), Expected = 21.38, Std = 1.5300, ChiSquare = 5.6651e-01 V36 CG2 = 24.657(D), Expected = 21.31, Std = 1.7600, ChiSquare = 5.7210e-02 V36 H = 9.422(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.1085e-01 V36 HA = 5.417(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.7436e-02 V36 HB = 2.407(D), Expected = 1.99, Std = 0.3300, ChiSquare = 2.0636e-01 V36 HG1 = 1.177(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.1198e-01 V36 HG2 = 0.967(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.3663e-01 V36 N = 121.207(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.6993e-01 R37 CA = 53.001(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.0130e-01 R37 CB = 33.977(D), Expected = 30.66, Std = 1.7700, ChiSquare = 6.0929e-02 R37 CG = 26.740(D), Expected = 27.31, Std = 1.6500, ChiSquare = 7.2975e-01 R37 CD = 44.153(D), Expected = 43.10, Std = 1.1000, ChiSquare = 3.3843e-01 R37 H = 9.613(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.2118e-02 R37 HA = 5.472(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.2986e-03 R37 HB2 = 2.268(D), Expected = 1.79, Std = 0.2800, ChiSquare = 8.7796e-02 R37 HB3 = 1.579(D), Expected = 1.78, Std = 0.2800, ChiSquare = 4.7285e-01 R37 HG2 = 1.580(D), Expected = 1.58, Std = 0.2700, ChiSquare = 1.0000e+00 R37 HD2 = 3.244(D), Expected = 3.13, Std = 0.2300, ChiSquare = 6.2014e-01 R37 HD3 = 2.746(D), Expected = 3.13, Std = 0.2200, ChiSquare = 8.0906e-02 R37 HE = 7.175(D), Expected = 7.32, Std = 0.5200, ChiSquare = 7.8036e-01 R37 N = 124.866(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.7515e-01 R37 NE = 117.931(D), Expected = 89.80, Std = 12.8300, ChiSquare = 2.8337e-02 D38 CA = 55.629(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.9743e-01 D38 CB = 41.015(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.5039e-01 D38 H = 9.029(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.2008e-01 D38 HA = 4.894(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.5960e-01 D38 HB2 = 2.944(D), Expected = 2.74, Std = 0.2900, ChiSquare = 4.8178e-01 D38 HB3 = 2.730(D), Expected = 2.70, Std = 0.2900, ChiSquare = 9.1761e-01 D38 N = 123.080(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.7580e-01 S39 CA = 56.378(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.0115e-01 S39 CB = 63.235(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.1894e-01 S39 H = 8.205(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.9095e-01 S39 HA = 4.754(D), Expected = 4.51, Std = 0.4300, ChiSquare = 5.7041e-01 S39 HB2 = 3.888(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.7799e-01 S39 N = 118.750(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.3509e-01 R40 CA = 58.714(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.6420e-01 R40 CB = 30.329(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.5166e-01 R40 H = 8.973(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.2183e-01 R40 N = 123.767(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.1824e-01 T41 CA = 60.387(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.1688e-01 T41 CB = 68.917(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.7062e-01 T41 CG2 = 21.374(D), Expected = 21.44, Std = 1.3900, ChiSquare = 9.6213e-01 T41 H = 8.133(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.2512e-01 T41 HA = 4.515(D), Expected = 4.48, Std = 0.5000, ChiSquare = 9.4419e-01 T41 HB = 3.997(D), Expected = 4.17, Std = 0.3700, ChiSquare = 6.4009e-01 T41 HG2 = 1.220(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.3032e-01 T41 N = 118.781(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.4180e-01 P42 CA = 63.953(D), Expected = 63.30, Std = 1.6400, ChiSquare = 6.9050e-01 P42 CB = 32.230(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.8506e-01 P42 CD = 50.746(D), Expected = 50.28, Std = 1.0400, ChiSquare = 6.5410e-01 P42 HA = 4.466(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.7638e-01 P42 HB2 = 2.306(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.1156e-01 P42 HB3 = 1.985(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.6763e-01 P42 HG2 = 2.046(D), Expected = 1.93, Std = 0.3600, ChiSquare = 7.4728e-01 P42 HD2 = 3.769(D), Expected = 3.64, Std = 0.3600, ChiSquare = 7.2009e-01 P42 HD3 = 3.736(D), Expected = 3.63, Std = 0.4000, ChiSquare = 7.9101e-01 G43 CA = 45.344(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.9213e-01 G43 H = 8.599(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.2634e-01 G43 HA2 = 4.200(D), Expected = 3.95, Std = 0.4000, ChiSquare = 5.3197e-01 G43 HA3 = 3.696(D), Expected = 3.93, Std = 0.4000, ChiSquare = 5.5855e-01 G43 N = 111.952(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.3408e-01 T44 CA = 60.464(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.3535e-01 T44 CB = 72.012(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.6293e-01 T44 CG2 = 21.694(D), Expected = 21.44, Std = 1.3900, ChiSquare = 8.5501e-01 T44 H = 7.466(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.9471e-01 T44 HA = 4.799(D), Expected = 4.48, Std = 0.5000, ChiSquare = 5.2347e-01 T44 HB = 4.369(D), Expected = 4.17, Std = 0.3700, ChiSquare = 5.9069e-01 T44 HG2 = 1.125(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.0052e-01 T44 N = 111.626(D), Expected = 115.70, Std = 5.0500, ChiSquare = 4.1982e-01 Y45 CA = 58.509(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.5305e-01 Y45 CB = 43.462(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.3713e-02 Y45 CD1 = 130.469(D), Expected = 132.54, Std = 1.3500, ChiSquare = 1.2501e-01 Y45 CE1 = 115.029(D), Expected = 117.81, Std = 2.0900, ChiSquare = 1.8331e-01 Y45 H = 9.675(D), Expected = 8.37, Std = 0.7500, ChiSquare = 8.1859e-02 Y45 HA = 5.413(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.6205e-01 Y45 HB2 = 2.681(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.3597e-01 Y45 HB3 = 3.122(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.6666e-01 Y45 HD1 = 7.126(D), Expected = 6.87, Std = 0.6500, ChiSquare = 6.9369e-01 Y45 HD2 = 7.120(D), Expected = 6.86, Std = 0.6800, ChiSquare = 7.0220e-01 Y45 HE1 = 6.808(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.7208e-01 Y45 N = 123.005(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.3673e-01 T46 CA = 61.937(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.3758e-01 T46 CB = 73.067(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.3812e-02 T46 CG2 = 23.469(D), Expected = 21.44, Std = 1.3900, ChiSquare = 1.4437e-01 T46 H = 9.378(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.3922e-02 T46 HA = 5.148(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.8155e-01 T46 HB = 3.680(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.8540e-01 T46 HG2 = 1.241(D), Expected = 1.16, Std = 0.2800, ChiSquare = 7.7236e-01 T46 N = 118.968(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.1755e-01 V47 CA = 61.078(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.4467e-01 V47 CB = 33.811(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.4676e-01 V47 CG1 = 21.877(D), Expected = 21.38, Std = 1.5300, ChiSquare = 7.4530e-01 V47 H = 9.513(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.4973e-02 V47 HA = 5.063(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.1315e-01 V47 HB = 2.265(D), Expected = 1.99, Std = 0.3300, ChiSquare = 4.0466e-01 V47 HG1 = 0.924(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.5572e-01 V47 HG2 = 0.929(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.3282e-01 V47 N = 126.812(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.4291e-01 S48 CA = 58.617(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.8231e-01 S48 CB = 65.790(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.0497e-01 S48 H = 9.129(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.7598e-01 S48 HA = 5.668(D), Expected = 4.51, Std = 0.4300, ChiSquare = 7.0807e-03 S48 HB2 = 3.451(D), Expected = 3.88, Std = 0.2900, ChiSquare = 1.3906e-01 S48 HB3 = 3.618(D), Expected = 3.87, Std = 0.3100, ChiSquare = 4.1627e-01 S48 N = 126.735(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.2474e-03 V49 CA = 59.505(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.2777e-01 V49 CB = 36.539(D), Expected = 32.66, Std = 1.9100, ChiSquare = 4.2266e-02 V49 CG1 = 22.681(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.9514e-01 V49 CG2 = 19.772(D), Expected = 21.31, Std = 1.7600, ChiSquare = 3.8219e-01 V49 H = 9.103(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.5218e-01 V49 HA = 5.545(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.5106e-02 V49 HB = 1.858(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.8916e-01 V49 HG1 = 0.964(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.4605e-01 V49 HG2 = 0.950(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.7903e-01 V49 N = 123.125(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.7128e-01 F50 CA = 57.132(D), Expected = 58.25, Std = 2.7300, ChiSquare = 6.8216e-01 F50 CB = 42.294(D), Expected = 39.95, Std = 2.0400, ChiSquare = 2.5055e-01 F50 H = 9.087(D), Expected = 8.42, Std = 0.7400, ChiSquare = 3.6740e-01 F50 HA = 5.085(D), Expected = 4.62, Std = 0.5800, ChiSquare = 4.2271e-01 F50 HB2 = 2.979(D), Expected = 2.99, Std = 0.3700, ChiSquare = 9.7628e-01 F50 HB3 = 3.422(D), Expected = 2.97, Std = 0.3800, ChiSquare = 2.3425e-01 F50 HE1 = 7.151(D), Expected = 6.95, Std = 0.8200, ChiSquare = 8.0636e-01 F50 HZ = 7.299(D), Expected = 6.92, Std = 0.8000, ChiSquare = 6.3568e-01 F50 N = 129.084(D), Expected = 120.69, Std = 4.1800, ChiSquare = 4.4629e-02 T51 CA = 59.891(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.0625e-01 T51 CB = 71.031(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.1322e-01 T51 CG2 = 19.177(D), Expected = 21.44, Std = 1.3900, ChiSquare = 1.0351e-01 T51 H = 8.526(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.7968e-01 T51 HA = 4.942(D), Expected = 4.48, Std = 0.5000, ChiSquare = 3.5549e-01 T51 HB = 3.951(D), Expected = 4.17, Std = 0.3700, ChiSquare = 5.5392e-01 T51 HG2 = 1.061(D), Expected = 1.16, Std = 0.2800, ChiSquare = 7.2366e-01 T51 N = 122.526(D), Expected = 115.70, Std = 5.0500, ChiSquare = 1.7648e-01 K52 CA = 56.308(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.1309e-01 K52 CB = 32.590(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.9842e-01 K52 CE = 42.229(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.4683e-01 K52 H = 10.254(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.4823e-03 K52 HA = 4.608(D), Expected = 4.28, Std = 0.4500, ChiSquare = 4.6607e-01 K52 HB2 = 1.974(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.6173e-01 K52 HE2 = 3.149(D), Expected = 2.93, Std = 0.2000, ChiSquare = 2.7352e-01 K52 N = 130.998(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.6681e-02 A53 CA = 53.454(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.8651e-01 A53 CB = 20.281(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.5537e-01 A53 H = 8.804(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1410e-01 A53 HA = 4.137(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.6963e-01 A53 HB = 1.418(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.7919e-01 A53 N = 123.289(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.8728e-01 I54 CA = 59.849(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.3115e-01 I54 CB = 36.255(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.6595e-01 I54 CG1 = 26.688(D), Expected = 27.65, Std = 2.3200, ChiSquare = 6.7839e-01 I54 CG2 = 18.158(D), Expected = 17.36, Std = 1.6000, ChiSquare = 6.1796e-01 I54 CD1 = 12.443(D), Expected = 13.41, Std = 1.9100, ChiSquare = 6.1266e-01 I54 H = 8.887(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.7718e-01 I54 HA = 4.175(D), Expected = 4.20, Std = 0.5600, ChiSquare = 9.6439e-01 I54 HB = 2.054(D), Expected = 1.80, Std = 0.3100, ChiSquare = 4.1258e-01 I54 HG2 = 0.869(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.1193e-01 I54 HG12 = 1.307(D), Expected = 1.30, Std = 0.4000, ChiSquare = 9.8604e-01 I54 HG13 = 1.055(D), Expected = 1.24, Std = 0.4000, ChiSquare = 6.4372e-01 I54 HD1 = 0.822(D), Expected = 0.70, Std = 0.3000, ChiSquare = 6.8425e-01 I54 N = 122.495(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.4961e-01 I55 CA = 64.450(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.0358e-01 I55 CB = 37.994(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.7918e-01 I55 CG2 = 17.443(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.5863e-01 I55 CD1 = 13.149(D), Expected = 13.41, Std = 1.9100, ChiSquare = 8.9131e-01 I55 H = 8.224(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.5956e-01 I55 HA = 3.815(D), Expected = 4.20, Std = 0.5600, ChiSquare = 4.9177e-01 I55 HB = 1.920(D), Expected = 1.80, Std = 0.3100, ChiSquare = 6.9868e-01 I55 HG2 = 0.970(D), Expected = 0.80, Std = 0.2900, ChiSquare = 5.5774e-01 I55 HG12 = 1.558(D), Expected = 1.30, Std = 0.4000, ChiSquare = 5.1893e-01 I55 HG13 = 1.342(D), Expected = 1.24, Std = 0.4000, ChiSquare = 7.9872e-01 I55 HD1 = 0.922(D), Expected = 0.70, Std = 0.3000, ChiSquare = 4.5930e-01 I55 N = 127.429(D), Expected = 121.60, Std = 4.7200, ChiSquare = 2.1685e-01 S56 CA = 59.075(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.1172e-01 S56 CB = 63.217(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.1039e-01 S56 H = 7.786(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.1627e-01 S56 HA = 4.930(D), Expected = 4.51, Std = 0.4300, ChiSquare = 3.2870e-01 S56 HB2 = 3.964(D), Expected = 3.88, Std = 0.2900, ChiSquare = 7.7208e-01 S56 N = 112.540(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.4115e-01 E57 CA = 55.826(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.6670e-01 E57 CB = 30.344(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.8162e-01 E57 H = 7.430(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.3575e-01 E57 HA = 4.277(D), Expected = 4.26, Std = 0.4300, ChiSquare = 9.6846e-01 E57 HB2 = 1.934(D), Expected = 2.04, Std = 0.2200, ChiSquare = 6.2993e-01 E57 HB3 = 1.711(D), Expected = 2.04, Std = 0.2300, ChiSquare = 1.5259e-01 E57 HG2 = 2.139(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.1548e-01 E57 N = 124.958(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.4503e-01 N58 CA = 49.351(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.5503e-02 N58 CB = 40.183(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.9221e-01 N58 H = 8.167(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.5481e-01 N58 HA = 5.022(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.0901e-01 N58 HB2 = 2.876(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.2312e-01 N58 HB3 = 2.789(D), Expected = 2.78, Std = 0.3400, ChiSquare = 9.7888e-01 N58 HD21 = 7.202(D), Expected = 7.27, Std = 0.5200, ChiSquare = 8.9596e-01 N58 HD22 = 6.516(D), Expected = 7.20, Std = 0.5200, ChiSquare = 1.8838e-01 N58 N = 122.311(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.7172e-01 N58 ND2 = 108.929(D), Expected = 112.83, Std = 2.6000, ChiSquare = 1.3351e-01 P59 CA = 63.889(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.1949e-01 P59 CB = 36.629(D), Expected = 31.81, Std = 1.5400, ChiSquare = 1.7527e-03 P59 CD = 49.693(D), Expected = 50.28, Std = 1.0400, ChiSquare = 5.7247e-01 P59 HA = 5.015(D), Expected = 4.41, Std = 0.3600, ChiSquare = 9.2849e-02 P59 HB2 = 2.111(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.7571e-01 P59 HB3 = 1.491(D), Expected = 2.05, Std = 0.3900, ChiSquare = 1.5176e-01 P59 HD2 = 3.544(D), Expected = 3.64, Std = 0.3600, ChiSquare = 7.8973e-01 C60 CA = 57.016(D), Expected = 57.43, Std = 3.4100, ChiSquare = 9.0337e-01 C60 CB = 30.184(D), Expected = 34.15, Std = 6.7700, ChiSquare = 5.5800e-01 C60 H = 8.313(D), Expected = 8.42, Std = 0.6600, ChiSquare = 8.7121e-01 C60 HA = 4.616(D), Expected = 4.73, Std = 0.5700, ChiSquare = 8.4148e-01 C60 HB2 = 2.938(D), Expected = 2.95, Std = 0.4300, ChiSquare = 9.7774e-01 C60 N = 114.534(D), Expected = 119.95, Std = 4.7900, ChiSquare = 2.5819e-01 I61 CA = 57.701(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.6184e-01 I61 CB = 37.389(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.6878e-01 I61 CG2 = 19.356(D), Expected = 17.36, Std = 1.6000, ChiSquare = 2.1221e-01 I61 CD1 = 13.943(D), Expected = 13.41, Std = 1.9100, ChiSquare = 7.8020e-01 I61 H = 8.303(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.5171e-01 I61 HA = 4.957(D), Expected = 4.20, Std = 0.5600, ChiSquare = 1.7644e-01 I61 HB = 1.851(D), Expected = 1.80, Std = 0.3100, ChiSquare = 8.6932e-01 I61 HG2 = 0.405(D), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7318e-01 I61 HG12 = 1.583(D), Expected = 1.30, Std = 0.4000, ChiSquare = 4.7926e-01 I61 HG13 = 1.437(D), Expected = 1.24, Std = 0.4000, ChiSquare = 6.2237e-01 I61 HD1 = 0.999(D), Expected = 0.70, Std = 0.3000, ChiSquare = 3.1893e-01 I61 N = 122.807(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.9817e-01 K62 CA = 52.743(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.8624e-02 K62 CB = 34.894(D), Expected = 32.83, Std = 1.8800, ChiSquare = 2.7226e-01 K62 CG = 24.619(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.2421e-01 K62 CD = 28.414(D), Expected = 28.78, Std = 1.3900, ChiSquare = 7.9231e-01 K62 CE = 42.078(D), Expected = 41.78, Std = 0.9800, ChiSquare = 7.6107e-01 K62 H = 8.743(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.1382e-01 K62 HA = 4.359(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.6064e-01 K62 HB2 = 1.492(D), Expected = 1.79, Std = 0.2500, ChiSquare = 2.3326e-01 K62 HB3 = 1.255(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.3463e-02 K62 HG2 = 1.233(D), Expected = 1.38, Std = 0.2700, ChiSquare = 5.8614e-01 K62 HD2 = 1.594(D), Expected = 1.61, Std = 0.2500, ChiSquare = 9.4897e-01 K62 HE2 = 2.803(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.2543e-01 K62 N = 126.558(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.8905e-01 H63 CA = 54.472(D), Expected = 56.37, Std = 2.4000, ChiSquare = 4.2904e-01 H63 CB = 32.771(D), Expected = 29.95, Std = 2.1500, ChiSquare = 1.8949e-01 H63 CD2 = 117.805(D), Expected = 119.84, Std = 3.3000, ChiSquare = 5.3745e-01 H63 CE1 = 134.654(D), Expected = 136.05, Std = 3.5800, ChiSquare = 6.9658e-01 H63 H = 8.248(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.9784e-01 H63 HA = 5.365(D), Expected = 4.62, Std = 0.5100, ChiSquare = 1.4407e-01 H63 HB2 = 2.825(D), Expected = 3.12, Std = 0.4300, ChiSquare = 4.9268e-01 H63 HB3 = 2.552(D), Expected = 3.11, Std = 0.4500, ChiSquare = 2.1498e-01 H63 HD2 = 7.082(D), Expected = 7.08, Std = 0.5000, ChiSquare = 9.9681e-01 H63 HE1 = 7.313(D), Expected = 8.08, Std = 0.5700, ChiSquare = 1.7843e-01 H63 N = 121.558(D), Expected = 119.44, Std = 4.5200, ChiSquare = 6.3937e-01 Y64 CA = 56.542(D), Expected = 58.02, Std = 2.6400, ChiSquare = 5.7558e-01 Y64 CB = 40.569(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.2749e-01 Y64 CD1 = 130.484(D), Expected = 132.54, Std = 1.3500, ChiSquare = 1.2777e-01 Y64 CE1 = 115.195(D), Expected = 117.81, Std = 2.0900, ChiSquare = 2.1086e-01 Y64 H = 9.835(D), Expected = 8.37, Std = 0.7500, ChiSquare = 5.0780e-02 Y64 HA = 4.839(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.0899e-01 Y64 HB2 = 2.993(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.2250e-01 Y64 HB3 = 2.828(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.2461e-01 Y64 HE1 = 6.706(D), Expected = 6.64, Std = 0.5800, ChiSquare = 9.0940e-01 Y64 HE2 = 6.697(D), Expected = 6.63, Std = 0.6100, ChiSquare = 9.1254e-01 Y64 N = 124.018(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.9128e-01 H65 CA = 57.088(D), Expected = 56.37, Std = 2.4000, ChiSquare = 7.6481e-01 H65 CB = 30.698(D), Expected = 29.95, Std = 2.1500, ChiSquare = 7.2791e-01 H65 CD2 = 116.886(D), Expected = 119.84, Std = 3.3000, ChiSquare = 3.7071e-01 H65 CE1 = 135.222(D), Expected = 136.05, Std = 3.5800, ChiSquare = 8.1709e-01 H65 H = 9.125(D), Expected = 8.25, Std = 0.7400, ChiSquare = 2.3703e-01 H65 HA = 4.923(D), Expected = 4.62, Std = 0.5100, ChiSquare = 5.5243e-01 H65 HB2 = 3.080(D), Expected = 3.12, Std = 0.4300, ChiSquare = 9.2589e-01 H65 HD2 = 7.294(D), Expected = 7.08, Std = 0.5000, ChiSquare = 6.6865e-01 H65 HE1 = 7.894(D), Expected = 8.08, Std = 0.5700, ChiSquare = 7.4419e-01 H65 N = 126.041(D), Expected = 119.44, Std = 4.5200, ChiSquare = 1.4418e-01 I66 CA = 63.175(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.6858e-01 I66 CB = 36.248(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.6451e-01 I66 CG1 = 28.419(D), Expected = 27.65, Std = 2.3200, ChiSquare = 7.4029e-01 I66 CG2 = 18.733(D), Expected = 17.36, Std = 1.6000, ChiSquare = 3.9082e-01 I66 CD1 = 13.930(D), Expected = 13.41, Std = 1.9100, ChiSquare = 7.8543e-01 I66 H = 8.856(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.0122e-01 I66 HA = 4.067(D), Expected = 4.20, Std = 0.5600, ChiSquare = 8.1227e-01 I66 HB = 2.258(D), Expected = 1.80, Std = 0.3100, ChiSquare = 1.3956e-01 I66 HG2 = 0.997(D), Expected = 0.80, Std = 0.2900, ChiSquare = 4.9694e-01 I66 HG12 = 1.787(D), Expected = 1.30, Std = 0.4000, ChiSquare = 2.2341e-01 I66 HG13 = 0.783(D), Expected = 1.24, Std = 0.4000, ChiSquare = 2.5325e-01 I66 HD1 = 0.803(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.3135e-01 I66 N = 125.827(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.7049e-01 K67 CA = 55.369(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.1326e-01 K67 CB = 32.561(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.8622e-01 K67 CG = 25.685(D), Expected = 24.91, Std = 1.3100, ChiSquare = 5.5412e-01 K67 CD = 28.968(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.9241e-01 K67 CE = 42.687(D), Expected = 41.78, Std = 0.9800, ChiSquare = 3.5470e-01 K67 H = 8.802(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.6315e-01 K67 HA = 4.291(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.8050e-01 K67 HB2 = 1.329(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.5183e-02 K67 HB3 = 0.295(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.1196e-08 K67 HG2 = 1.360(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.4095e-01 K67 HD2 = 1.687(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.5808e-01 K67 HE2 = 3.125(D), Expected = 2.93, Std = 0.2000, ChiSquare = 3.2956e-01 K67 N = 132.536(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.6422e-03 E68 CA = 53.138(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.0553e-02 E68 CB = 33.146(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.4576e-02 E68 CG = 36.447(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.7227e-01 E68 H = 8.013(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.9191e-01 E68 HA = 5.464(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.1103e-03 E68 HB2 = 1.932(D), Expected = 2.04, Std = 0.2200, ChiSquare = 6.2349e-01 E68 HG2 = 2.361(D), Expected = 2.31, Std = 0.2100, ChiSquare = 8.0812e-01 E68 HG3 = 2.263(D), Expected = 2.31, Std = 0.2100, ChiSquare = 8.2291e-01 E68 N = 116.557(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.6255e-01 T69 CA = 60.528(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.5096e-01 T69 CB = 70.343(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.7922e-01 T69 CG2 = 23.361(D), Expected = 21.44, Std = 1.3900, ChiSquare = 1.6697e-01 T69 H = 8.686(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.0224e-01 T69 HA = 4.683(D), Expected = 4.48, Std = 0.5000, ChiSquare = 6.8474e-01 T69 HB = 4.595(D), Expected = 4.17, Std = 0.3700, ChiSquare = 2.5070e-01 T69 HG2 = 1.229(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.0535e-01 T69 N = 114.050(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.4387e-01 N70 CA = 52.565(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.5569e-01 N70 CB = 38.257(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.2089e-01 N70 H = 8.468(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.8016e-01 N70 HA = 4.978(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.7596e-01 N70 HB2 = 2.978(D), Expected = 2.80, Std = 0.3400, ChiSquare = 6.0061e-01 N70 HB3 = 2.789(D), Expected = 2.78, Std = 0.3400, ChiSquare = 9.7888e-01 N70 HD21 = 7.598(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.2819e-01 N70 HD22 = 6.929(D), Expected = 7.20, Std = 0.5200, ChiSquare = 6.0226e-01 N70 N = 115.729(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.4162e-01 N70 ND2 = 113.133(D), Expected = 112.83, Std = 2.6000, ChiSquare = 9.0723e-01 D71 CA = 54.596(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.7113e-01 D71 CB = 44.135(D), Expected = 40.70, Std = 1.6700, ChiSquare = 3.9697e-02 D71 H = 7.261(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.0733e-02 D71 HA = 4.479(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.7260e-01 D71 HB2 = 2.371(D), Expected = 2.74, Std = 0.2900, ChiSquare = 2.0323e-01 D71 HB3 = 2.726(D), Expected = 2.70, Std = 0.2900, ChiSquare = 9.2856e-01 D71 N = 117.886(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.9832e-01 S72 CA = 54.453(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.2139e-02 S72 CB = 64.233(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.8270e-01 S72 H = 8.230(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.2291e-01 S72 HA = 4.713(D), Expected = 4.51, Std = 0.4300, ChiSquare = 6.3686e-01 S72 HB2 = 3.645(D), Expected = 3.88, Std = 0.2900, ChiSquare = 4.1774e-01 S72 HB3 = 3.803(D), Expected = 3.87, Std = 0.3100, ChiSquare = 8.2889e-01 S72 N = 113.722(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.1398e-01 P73 CA = 63.017(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.6300e-01 P73 CB = 34.791(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.2903e-02 P73 CG = 25.420(D), Expected = 27.14, Std = 1.1800, ChiSquare = 1.4494e-01 P73 CD = 50.443(D), Expected = 50.28, Std = 1.0400, ChiSquare = 8.7546e-01 P73 HA = 4.826(D), Expected = 4.41, Std = 0.3600, ChiSquare = 2.4786e-01 P73 HB2 = 2.494(D), Expected = 2.05, Std = 0.3900, ChiSquare = 2.5493e-01 P73 HB3 = 2.158(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.8184e-01 P73 HG2 = 1.969(D), Expected = 1.93, Std = 0.3600, ChiSquare = 9.1373e-01 P73 HG3 = 1.903(D), Expected = 1.92, Std = 0.3700, ChiSquare = 9.6335e-01 P73 HD2 = 3.642(D), Expected = 3.64, Std = 0.3600, ChiSquare = 9.9557e-01 P73 HD3 = 3.526(D), Expected = 3.63, Std = 0.4000, ChiSquare = 7.9486e-01 K74 CA = 58.195(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.4703e-01 K74 CB = 33.384(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.6824e-01 K74 CG = 24.708(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.7745e-01 K74 CD = 29.672(D), Expected = 28.78, Std = 1.3900, ChiSquare = 5.2105e-01 K74 CE = 42.612(D), Expected = 41.78, Std = 0.9800, ChiSquare = 3.9589e-01 K74 H = 8.196(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.7009e-01 K74 HA = 3.701(D), Expected = 4.28, Std = 0.4500, ChiSquare = 1.9821e-01 K74 HB2 = 1.733(D), Expected = 1.79, Std = 0.2500, ChiSquare = 8.1965e-01 K74 HG2 = 1.385(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.8523e-01 K74 HG3 = 1.623(D), Expected = 1.37, Std = 0.2900, ChiSquare = 3.8298e-01 K74 HD2 = 1.715(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.7449e-01 K74 HE2 = 3.095(D), Expected = 2.93, Std = 0.2000, ChiSquare = 4.0937e-01 K74 N = 120.087(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.9404e-01 R75 CA = 54.648(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.3948e-01 R75 CB = 33.404(D), Expected = 30.66, Std = 1.7700, ChiSquare = 1.2107e-01 R75 CG = 28.693(D), Expected = 27.31, Std = 1.6500, ChiSquare = 4.0193e-01 R75 CD = 43.923(D), Expected = 43.10, Std = 1.1000, ChiSquare = 4.5435e-01 R75 H = 7.415(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.6913e-01 R75 HA = 4.640(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.0040e-01 R75 HB2 = 1.971(D), Expected = 1.79, Std = 0.2800, ChiSquare = 5.1800e-01 R75 HB3 = 1.533(D), Expected = 1.78, Std = 0.2800, ChiSquare = 3.7770e-01 R75 HG2 = 1.713(D), Expected = 1.58, Std = 0.2700, ChiSquare = 6.2230e-01 R75 HD2 = 3.047(D), Expected = 3.13, Std = 0.2300, ChiSquare = 7.1820e-01 R75 HE = 6.947(D), Expected = 7.32, Std = 0.5200, ChiSquare = 4.7318e-01 R75 N = 120.291(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.3481e-01 R75 NE = 121.485(D), Expected = 89.80, Std = 12.8300, ChiSquare = 1.3526e-02 Y76 CA = 57.629(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.8226e-01 Y76 CB = 43.727(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.0562e-02 Y76 H = 8.933(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.5285e-01 Y76 HA = 5.881(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.5488e-02 Y76 HB2 = 2.422(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.8720e-01 Y76 HB3 = 2.875(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.2464e-01 Y76 HD1 = 6.891(D), Expected = 6.87, Std = 0.6500, ChiSquare = 9.7423e-01 Y76 HD2 = 6.880(D), Expected = 6.86, Std = 0.6800, ChiSquare = 9.7654e-01 Y76 HE1 = 7.017(D), Expected = 6.64, Std = 0.5800, ChiSquare = 5.1569e-01 Y76 HE2 = 7.000(D), Expected = 6.63, Std = 0.6100, ChiSquare = 5.4414e-01 Y76 N = 116.099(D), Expected = 120.79, Std = 4.6900, ChiSquare = 3.1721e-01 Y77 CA = 57.965(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.8338e-01 Y77 CB = 41.488(D), Expected = 39.16, Std = 2.2300, ChiSquare = 2.9651e-01 Y77 CD1 = 130.499(D), Expected = 132.54, Std = 1.3500, ChiSquare = 1.3057e-01 Y77 CE1 = 114.750(D), Expected = 117.81, Std = 2.0900, ChiSquare = 1.4316e-01 Y77 H = 8.965(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.2758e-01 Y77 HA = 5.365(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.8935e-01 Y77 HB2 = 3.140(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.3419e-01 Y77 HB3 = 3.272(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.2789e-01 Y77 HD1 = 6.491(D), Expected = 6.87, Std = 0.6500, ChiSquare = 5.5984e-01 Y77 HD2 = 6.494(D), Expected = 6.86, Std = 0.6800, ChiSquare = 5.9041e-01 Y77 HE1 = 6.534(D), Expected = 6.64, Std = 0.5800, ChiSquare = 8.5499e-01 Y77 HE2 = 6.526(D), Expected = 6.63, Std = 0.6100, ChiSquare = 8.6462e-01 Y77 N = 116.974(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.1585e-01 V78 CA = 62.488(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.9790e-01 V78 CB = 33.754(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.6680e-01 V78 CG1 = 24.167(D), Expected = 21.38, Std = 1.5300, ChiSquare = 6.8521e-02 V78 CG2 = 21.621(D), Expected = 21.31, Std = 1.7600, ChiSquare = 8.5974e-01 V78 H = 10.031(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.4202e-02 V78 HA = 4.665(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.7564e-01 V78 HB = 1.909(D), Expected = 1.99, Std = 0.3300, ChiSquare = 8.0610e-01 V78 HG1 = 0.831(D), Expected = 0.84, Std = 0.2700, ChiSquare = 9.7341e-01 V78 HG2 = 0.656(D), Expected = 0.83, Std = 0.2900, ChiSquare = 5.4851e-01 V78 N = 115.356(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.5348e-01 A79 CA = 51.470(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.1200e-01 A79 CB = 21.878(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.0746e-01 A79 H = 9.440(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8766e-02 A79 HA = 4.860(D), Expected = 4.26, Std = 0.4200, ChiSquare = 1.5313e-01 A79 HB = 1.730(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.6151e-01 A79 N = 129.014(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.1800e-01 E80 CA = 59.586(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.2264e-01 E80 CB = 29.852(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.0569e-01 E80 CG = 36.792(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.0454e-01 E80 H = 8.860(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.9396e-01 E80 HA = 3.226(D), Expected = 4.26, Std = 0.4300, ChiSquare = 1.6188e-02 E80 HB2 = 1.866(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.2900e-01 E80 HB3 = 1.811(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.1942e-01 E80 HG2 = 2.212(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.4074e-01 E80 N = 122.339(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.5212e-01 K81 CA = 57.693(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.0461e-01 K81 CB = 32.377(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.0959e-01 K81 CG = 25.464(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.7237e-01 K81 CD = 29.162(D), Expected = 28.78, Std = 1.3900, ChiSquare = 7.8345e-01 K81 CE = 42.179(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.8390e-01 K81 H = 7.865(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.7911e-01 K81 HA = 3.716(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.1008e-01 K81 HB2 = 1.423(D), Expected = 1.79, Std = 0.2500, ChiSquare = 1.4210e-01 K81 HB3 = 1.219(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.0952e-02 K81 HG2 = 1.163(D), Expected = 1.38, Std = 0.2700, ChiSquare = 4.2157e-01 K81 HG3 = 1.004(D), Expected = 1.37, Std = 0.2900, ChiSquare = 2.0692e-01 K81 HD2 = 1.501(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.6284e-01 K81 HE2 = 2.883(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.1421e-01 K81 N = 114.465(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.0332e-01 Y82 CA = 56.965(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.8944e-01 Y82 CB = 39.013(D), Expected = 39.16, Std = 2.2300, ChiSquare = 9.4744e-01 Y82 CD1 = 130.772(D), Expected = 132.54, Std = 1.3500, ChiSquare = 1.9032e-01 Y82 CE1 = 114.995(D), Expected = 117.81, Std = 2.0900, ChiSquare = 1.7802e-01 Y82 H = 7.944(D), Expected = 8.37, Std = 0.7500, ChiSquare = 5.7003e-01 Y82 HA = 4.409(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.9311e-01 Y82 HB2 = 3.192(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.4596e-01 Y82 HB3 = 2.813(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.9320e-01 Y82 HD1 = 6.981(D), Expected = 6.87, Std = 0.6500, ChiSquare = 8.6441e-01 Y82 HD2 = 6.971(D), Expected = 6.86, Std = 0.6800, ChiSquare = 8.7033e-01 Y82 HE1 = 6.783(D), Expected = 6.64, Std = 0.5800, ChiSquare = 8.0526e-01 Y82 HE2 = 6.791(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.9183e-01 Y82 N = 121.755(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.3698e-01 V83 CA = 60.196(D), Expected = 62.48, Std = 3.0400, ChiSquare = 4.5246e-01 V83 CB = 33.859(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.3017e-01 V83 CG1 = 23.219(D), Expected = 21.38, Std = 1.5300, ChiSquare = 2.2938e-01 V83 CG2 = 20.701(D), Expected = 21.31, Std = 1.7600, ChiSquare = 7.2933e-01 V83 H = 7.246(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.4145e-01 V83 HA = 4.775(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.8061e-01 V83 HB = 1.575(D), Expected = 1.99, Std = 0.3300, ChiSquare = 2.0855e-01 V83 HG1 = 0.768(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.8973e-01 V83 HG2 = 0.552(D), Expected = 0.83, Std = 0.2900, ChiSquare = 3.3775e-01 V83 N = 121.502(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.2259e-01 F84 CA = 57.715(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.4463e-01 F84 CB = 45.919(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.4337e-03 F84 H = 9.413(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.7963e-01 F84 HA = 4.966(D), Expected = 4.62, Std = 0.5800, ChiSquare = 5.5081e-01 F84 HB2 = 2.808(D), Expected = 2.99, Std = 0.3700, ChiSquare = 6.2280e-01 F84 HB3 = 3.352(D), Expected = 2.97, Std = 0.3800, ChiSquare = 3.1477e-01 F84 HD1 = 7.314(D), Expected = 6.91, Std = 0.8200, ChiSquare = 6.2224e-01 F84 HD2 = 7.304(D), Expected = 6.89, Std = 0.8600, ChiSquare = 6.3024e-01 F84 HE1 = 7.099(D), Expected = 6.95, Std = 0.8200, ChiSquare = 8.5581e-01 F84 HE2 = 7.092(D), Expected = 6.94, Std = 0.8600, ChiSquare = 8.5971e-01 F84 HZ = 6.143(D), Expected = 6.92, Std = 0.8000, ChiSquare = 3.3142e-01 F84 N = 121.856(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.8029e-01 D85 CA = 56.638(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.1318e-01 D85 CB = 41.560(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.0657e-01 D85 H = 9.267(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.0021e-01 D85 HA = 4.739(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.7732e-01 D85 HB2 = 2.682(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.4148e-01 D85 HB3 = 2.982(D), Expected = 2.70, Std = 0.2900, ChiSquare = 3.3084e-01 D85 N = 118.744(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.3631e-01 S86 CA = 56.479(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.2398e-01 S86 CB = 66.609(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.3587e-02 S86 H = 7.737(D), Expected = 8.29, Std = 0.6200, ChiSquare = 3.7243e-01 S86 HA = 4.890(D), Expected = 4.51, Std = 0.4300, ChiSquare = 3.7685e-01 S86 HB2 = 4.005(D), Expected = 3.88, Std = 0.2900, ChiSquare = 6.6644e-01 S86 N = 111.099(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.8794e-01 I87 CA = 66.722(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.4886e-02 I87 CB = 35.622(D), Expected = 38.58, Std = 2.0900, ChiSquare = 1.5698e-01 I87 CG1 = 30.687(D), Expected = 27.65, Std = 2.3200, ChiSquare = 1.9052e-01 I87 CG2 = 17.412(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.7407e-01 I87 CD1 = 14.201(D), Expected = 13.41, Std = 1.9100, ChiSquare = 6.7877e-01 I87 H = 9.047(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.6767e-01 I87 HA = 3.655(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.3045e-01 I87 HB = 1.568(D), Expected = 1.80, Std = 0.3100, ChiSquare = 4.5423e-01 I87 HG2 = 0.579(D), Expected = 0.80, Std = 0.2900, ChiSquare = 4.4602e-01 I87 HG12 = 0.648(D), Expected = 1.30, Std = 0.4000, ChiSquare = 1.0310e-01 I87 HG13 = 0.346(D), Expected = 1.24, Std = 0.4000, ChiSquare = 2.5417e-02 I87 HD1 = 0.559(D), Expected = 0.70, Std = 0.3000, ChiSquare = 6.3835e-01 I87 N = 121.301(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.4949e-01 P88 CA = 66.747(D), Expected = 63.30, Std = 1.6400, ChiSquare = 3.5568e-02 P88 CB = 31.062(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.2717e-01 P88 CG = 29.443(D), Expected = 27.14, Std = 1.1800, ChiSquare = 5.0974e-02 P88 CD = 49.443(D), Expected = 50.28, Std = 1.0400, ChiSquare = 4.2093e-01 P88 HA = 4.022(D), Expected = 4.41, Std = 0.3600, ChiSquare = 2.8113e-01 P88 HB2 = 2.133(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.3147e-01 P88 HB3 = 1.722(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.0033e-01 P88 HG2 = 2.260(D), Expected = 1.93, Std = 0.3600, ChiSquare = 3.5932e-01 P88 HG3 = 1.385(D), Expected = 1.92, Std = 0.3700, ChiSquare = 1.4819e-01 P88 HD2 = 3.725(D), Expected = 3.64, Std = 0.3600, ChiSquare = 8.1335e-01 P88 HD3 = 3.454(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.5994e-01 L89 CA = 58.072(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.7311e-01 L89 CB = 42.249(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.4813e-01 L89 CG = 27.934(D), Expected = 26.77, Std = 1.2500, ChiSquare = 3.5175e-01 L89 CD1 = 26.112(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.1898e-01 L89 CD2 = 22.747(D), Expected = 24.10, Std = 1.7800, ChiSquare = 4.4719e-01 L89 H = 7.339(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.7529e-01 L89 HA = 4.024(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.2883e-01 L89 HB2 = 1.966(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.2304e-01 L89 HB3 = 1.601(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.3138e-01 L89 HG = 1.658(D), Expected = 1.54, Std = 0.3300, ChiSquare = 7.2066e-01 L89 HD1 = 1.183(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.2611e-01 L89 HD2 = 1.039(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.1904e-01 L89 N = 117.124(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.3282e-01 L90 CA = 58.120(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.6372e-01 L90 CB = 42.918(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.6828e-01 L90 CG = 27.192(D), Expected = 26.77, Std = 1.2500, ChiSquare = 7.3566e-01 L90 CD1 = 28.879(D), Expected = 24.73, Std = 1.7100, ChiSquare = 1.5253e-02 L90 CD2 = 25.216(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.3068e-01 L90 H = 7.264(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.4135e-01 L90 HA = 2.714(S), Expected = 4.32, Std = 0.4700, ChiSquare = 6.3310e-04 L90 HB2 = 2.194(D), Expected = 1.63, Std = 0.3400, ChiSquare = 9.7151e-02 L90 HB3 = 1.574(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.9113e-01 L90 HG = 1.887(D), Expected = 1.54, Std = 0.3300, ChiSquare = 2.9302e-01 L90 HD1 = 1.250(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5440e-02 L90 HD2 = 0.703(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.3869e-01 L90 N = 124.874(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.7705e-01 I91 CA = 61.172(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.8048e-01 I91 CB = 34.779(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.8963e-02 I91 CG1 = 25.211(D), Expected = 27.65, Std = 2.3200, ChiSquare = 2.9312e-01 I91 CG2 = 16.236(D), Expected = 17.36, Std = 1.6000, ChiSquare = 4.8237e-01 I91 CD1 = 8.432(D), Expected = 13.41, Std = 1.9100, ChiSquare = 9.1531e-03 I91 H = 8.014(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.2898e-01 I91 HA = 3.132(D), Expected = 4.20, Std = 0.5600, ChiSquare = 5.6502e-02 I91 HB = 1.403(D), Expected = 1.80, Std = 0.3100, ChiSquare = 2.0032e-01 I91 HG2 = -0.290(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.7085e-04 I91 HG12 = 1.050(D), Expected = 1.30, Std = 0.4000, ChiSquare = 5.3197e-01 I91 HG13 = -0.498(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.3928e-05 I91 HD1 = -0.073(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.9758e-03 I91 N = 120.025(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.3862e-01 Q92 CA = 59.012(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.7473e-01 Q92 CB = 28.997(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.5830e-01 Q92 CG = 34.619(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.1377e-01 Q92 H = 7.880(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.8343e-01 Q92 HA = 4.122(D), Expected = 4.28, Std = 0.4400, ChiSquare = 7.1953e-01 Q92 HB2 = 2.176(D), Expected = 2.05, Std = 0.2800, ChiSquare = 6.5271e-01 Q92 HB3 = 2.114(D), Expected = 2.04, Std = 0.2900, ChiSquare = 7.9859e-01 Q92 HG2 = 2.518(D), Expected = 2.32, Std = 0.2900, ChiSquare = 4.9476e-01 Q92 HG3 = 2.442(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.7398e-01 Q92 HE21 = 7.489(D), Expected = 7.17, Std = 0.4600, ChiSquare = 4.8801e-01 Q92 HE22 = 6.889(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.1184e-01 Q92 N = 117.513(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.4834e-01 Q92 NE2 = 111.556(D), Expected = 111.81, Std = 2.2000, ChiSquare = 9.0809e-01 Y93 CA = 62.605(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.2433e-02 Y93 CB = 39.359(D), Expected = 39.16, Std = 2.2300, ChiSquare = 9.2889e-01 Y93 H = 7.684(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.6037e-01 Y93 HA = 3.980(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.4576e-01 Y93 HB2 = 2.731(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.2854e-01 Y93 HB3 = 2.355(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.3361e-01 Y93 HD1 = 6.317(D), Expected = 6.87, Std = 0.6500, ChiSquare = 3.9490e-01 Y93 HD2 = 6.309(D), Expected = 6.86, Std = 0.6800, ChiSquare = 4.1777e-01 Y93 HE1 = 7.302(D), Expected = 6.64, Std = 0.5800, ChiSquare = 2.5371e-01 Y93 HE2 = 7.304(D), Expected = 6.63, Std = 0.6100, ChiSquare = 2.6920e-01 Y93 N = 119.438(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.7314e-01 H94 CA = 57.864(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.3361e-01 H94 CB = 28.183(D), Expected = 29.95, Std = 2.1500, ChiSquare = 4.1116e-01 H94 CD2 = 115.415(D), Expected = 119.84, Std = 3.3000, ChiSquare = 1.7995e-01 H94 CE1 = 135.416(D), Expected = 136.05, Std = 3.5800, ChiSquare = 8.5943e-01 H94 H = 7.761(D), Expected = 8.25, Std = 0.7400, ChiSquare = 5.0873e-01 H94 HA = 4.690(D), Expected = 4.62, Std = 0.5100, ChiSquare = 8.9083e-01 H94 HB2 = 3.068(D), Expected = 3.12, Std = 0.4300, ChiSquare = 9.0375e-01 H94 HB3 = 2.665(D), Expected = 3.11, Std = 0.4500, ChiSquare = 3.2272e-01 H94 HD1 = 10.875(D), Expected = 10.14, Std = 3.5000, ChiSquare = 8.3367e-01 H94 HD2 = 6.930(D), Expected = 7.08, Std = 0.5000, ChiSquare = 7.6418e-01 H94 HE1 = 7.749(D), Expected = 8.08, Std = 0.5700, ChiSquare = 5.6144e-01 H94 N = 117.591(D), Expected = 119.44, Std = 4.5200, ChiSquare = 6.8249e-01 Q95 CA = 57.460(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.0130e-01 Q95 CB = 30.370(D), Expected = 29.10, Std = 1.9700, ChiSquare = 5.1914e-01 Q95 CG = 34.451(D), Expected = 33.72, Std = 1.1000, ChiSquare = 5.0634e-01 Q95 H = 7.869(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.7131e-01 Q95 HA = 4.549(D), Expected = 4.28, Std = 0.4400, ChiSquare = 5.4096e-01 Q95 HB2 = 1.989(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.2754e-01 Q95 HB3 = 1.560(D), Expected = 2.04, Std = 0.2900, ChiSquare = 9.7890e-02 Q95 HG2 = 2.268(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.5769e-01 Q95 HG3 = 1.790(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.7612e-02 Q95 HE21 = 7.019(D), Expected = 7.17, Std = 0.4600, ChiSquare = 7.4271e-01 Q95 HE22 = 6.885(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.0576e-01 Q95 N = 120.206(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.4314e-01 Q95 NE2 = 109.665(D), Expected = 111.81, Std = 2.2000, ChiSquare = 3.2956e-01 Y96 CA = 58.405(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.8405e-01 Y96 CB = 40.355(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.9205e-01 Y96 CD1 = 130.450(D), Expected = 132.54, Std = 1.3500, ChiSquare = 1.2159e-01 Y96 CE1 = 115.007(D), Expected = 117.81, Std = 2.0900, ChiSquare = 1.7987e-01 Y96 H = 6.980(D), Expected = 8.37, Std = 0.7500, ChiSquare = 6.3835e-02 Y96 HA = 4.458(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.5873e-01 Y96 HB2 = 2.615(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.2528e-01 Y96 HB3 = 3.088(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.3046e-01 Y96 HE1 = 6.810(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.6944e-01 Y96 N = 116.084(D), Expected = 120.79, Std = 4.6900, ChiSquare = 3.1566e-01 N97 CA = 52.194(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.2405e-01 N97 CB = 41.481(D), Expected = 38.66, Std = 1.7800, ChiSquare = 1.1300e-01 N97 H = 7.710(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.0992e-01 N97 HA = 4.635(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.6763e-01 N97 HB2 = 2.051(D), Expected = 2.80, Std = 0.3400, ChiSquare = 2.7599e-02 N97 HB3 = 1.609(S), Expected = 2.78, Std = 0.3400, ChiSquare = 5.7293e-04 N97 HD21 = 6.960(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.5107e-01 N97 N = 118.805(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.4139e-01 N97 ND2 = 117.831(D), Expected = 112.83, Std = 2.6000, ChiSquare = 5.4422e-02 G98 CA = 46.588(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.7566e-01 G98 H = 8.778(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.5392e-01 G98 N = 110.777(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.3984e-01 G99 CA = 46.964(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.4985e-01 G99 H = 8.245(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.9785e-01 G99 N = 108.496(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.4170e-01 G100 CA = 45.473(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.1979e-01 G100 H = 8.352(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.8706e-01 G100 HA2 = 3.662(D), Expected = 3.95, Std = 0.4000, ChiSquare = 4.7153e-01 G100 N = 107.277(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.3938e-01 L101 CA = 54.072(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.7521e-01 L101 CB = 43.320(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.0952e-01 L101 CG = 26.914(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.0829e-01 L101 CD1 = 24.254(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.8073e-01 L101 CD2 = 20.749(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.9757e-02 L101 H = 7.728(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.4910e-01 L101 HA = 4.300(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6606e-01 L101 HB2 = 1.842(D), Expected = 1.63, Std = 0.3400, ChiSquare = 5.3294e-01 L101 HB3 = 1.178(D), Expected = 1.57, Std = 0.3600, ChiSquare = 2.7620e-01 L101 HG = 1.199(D), Expected = 1.54, Std = 0.3300, ChiSquare = 3.0145e-01 L101 HD1 = 0.219(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1277e-02 L101 HD2 = -0.191(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.8271e-04 L101 N = 120.002(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.2697e-01 V102 CA = 63.475(D), Expected = 62.48, Std = 3.0400, ChiSquare = 7.4344e-01 V102 CB = 32.062(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.5421e-01 V102 CG1 = 21.448(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.6455e-01 V102 H = 7.532(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.8570e-01 V102 HA = 3.922(D), Expected = 4.16, Std = 0.5700, ChiSquare = 6.7628e-01 V102 HB = 2.202(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.2060e-01 V102 HG1 = 0.971(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.2754e-01 V102 N = 115.555(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.7054e-01 T103 CA = 59.435(D), Expected = 62.15, Std = 2.7200, ChiSquare = 3.1820e-01 T103 CB = 69.898(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.7937e-01 T103 CG2 = 20.697(D), Expected = 21.44, Std = 1.3900, ChiSquare = 5.9297e-01 T103 H = 7.097(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.8500e-02 T103 HA = 4.432(D), Expected = 4.48, Std = 0.5000, ChiSquare = 9.2352e-01 T103 HB = 4.062(D), Expected = 4.17, Std = 0.3700, ChiSquare = 7.7037e-01 T103 HG2 = 1.150(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.7151e-01 T103 N = 113.591(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.7622e-01 R104 CA = 56.229(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.6481e-01 R104 CB = 31.833(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.0752e-01 R104 H = 7.399(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.6101e-01 R104 HA = 4.162(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0610e-01 R104 HB2 = 1.479(D), Expected = 1.79, Std = 0.2800, ChiSquare = 2.6669e-01 R104 HG2 = 1.403(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.1211e-01 R104 HG3 = 1.243(D), Expected = 1.58, Std = 0.2700, ChiSquare = 2.1198e-01 R104 HD2 = 2.830(D), Expected = 3.13, Std = 0.2300, ChiSquare = 1.9211e-01 R104 N = 120.281(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.3277e-01 L105 CA = 53.561(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.4453e-01 L105 CB = 37.041(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.1694e-03 L105 CG = 25.330(D), Expected = 26.77, Std = 1.2500, ChiSquare = 2.4932e-01 L105 CD1 = 21.140(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.5780e-02 L105 CD2 = 26.197(D), Expected = 24.10, Std = 1.7800, ChiSquare = 2.3876e-01 L105 H = 7.503(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.6999e-01 L105 HA = 3.784(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.5411e-01 L105 HB2 = 0.713(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.9955e-03 L105 HB3 = -1.006(S), Expected = 1.57, Std = 0.3600, ChiSquare = 8.3335e-13 L105 HG = 1.109(D), Expected = 1.54, Std = 0.3300, ChiSquare = 1.9153e-01 L105 HD1 = 0.174(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7286e-02 L105 HD2 = 0.089(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.6556e-02 L105 N = 120.774(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.6699e-01 R106 CA = 57.863(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.0481e-01 R106 CB = 34.088(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.2779e-02 R106 H = 8.405(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.8332e-01 R106 HA = 4.294(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.5650e-01 R106 HB2 = 1.406(D), Expected = 1.79, Std = 0.2800, ChiSquare = 1.7024e-01 R106 HG2 = 1.128(D), Expected = 1.58, Std = 0.2700, ChiSquare = 9.4116e-02 R106 HD2 = 3.071(D), Expected = 3.13, Std = 0.2300, ChiSquare = 7.9755e-01 R106 N = 123.298(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.9068e-01 Y107 H = 7.730(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.9347e-01 Y107 HA = 5.329(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.1195e-01 Y107 HB2 = 3.066(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.7330e-01 Y107 HB3 = 2.623(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.3794e-01 Y107 HE1 = 6.928(D), Expected = 6.64, Std = 0.5800, ChiSquare = 6.1951e-01 Y107 N = 118.520(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.2838e-01 P108 CA = 62.323(D), Expected = 63.30, Std = 1.6400, ChiSquare = 5.5135e-01 P108 CB = 32.950(D), Expected = 31.81, Std = 1.5400, ChiSquare = 4.5914e-01 P108 CG = 27.439(D), Expected = 27.14, Std = 1.1800, ChiSquare = 7.9997e-01 P108 CD = 50.693(D), Expected = 50.28, Std = 1.0400, ChiSquare = 6.9128e-01 P108 HA = 3.670(D), Expected = 4.41, Std = 0.3600, ChiSquare = 3.9825e-02 P108 HB2 = 1.854(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.1527e-01 P108 HB3 = 1.732(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.1485e-01 P108 HG2 = 2.145(D), Expected = 1.93, Std = 0.3600, ChiSquare = 5.5036e-01 P108 HG3 = 2.326(D), Expected = 1.92, Std = 0.3700, ChiSquare = 2.7251e-01 P108 HD2 = 3.880(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.0499e-01 P108 HD3 = 3.924(D), Expected = 3.63, Std = 0.4000, ChiSquare = 4.6234e-01 V109 CA = 61.950(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.6160e-01 V109 CB = 33.431(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.8646e-01 V109 CG1 = 23.412(D), Expected = 21.38, Std = 1.5300, ChiSquare = 1.8414e-01 V109 CG2 = 21.453(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.3524e-01 V109 H = 8.310(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.7753e-01 V109 HA = 4.133(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.6222e-01 V109 HB = 1.707(D), Expected = 1.99, Std = 0.3300, ChiSquare = 3.9113e-01 V109 HG1 = 1.064(D), Expected = 0.84, Std = 0.2700, ChiSquare = 4.0675e-01 V109 HG2 = 0.732(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.3541e-01 V109 N = 125.508(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.6555e-01 C110 CA = 57.446(D), Expected = 57.43, Std = 3.4100, ChiSquare = 9.9626e-01 C110 CB = 28.939(D), Expected = 34.15, Std = 6.7700, ChiSquare = 4.4147e-01 C110 H = 8.324(D), Expected = 8.42, Std = 0.6600, ChiSquare = 8.8435e-01 C110 HA = 4.794(D), Expected = 4.73, Std = 0.5700, ChiSquare = 9.1060e-01 C110 HB2 = 2.987(D), Expected = 2.95, Std = 0.4300, ChiSquare = 9.3143e-01 C110 HB3 = 2.891(D), Expected = 2.98, Std = 0.4500, ChiSquare = 8.4322e-01 C110 N = 125.047(D), Expected = 119.95, Std = 4.7900, ChiSquare = 2.8729e-01 G111 CA = 45.529(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.8855e-01 G111 H = 8.611(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.1420e-01 G111 HA2 = 4.084(D), Expected = 3.95, Std = 0.4000, ChiSquare = 7.3762e-01 G111 HA3 = 3.670(D), Expected = 3.93, Std = 0.4000, ChiSquare = 5.1569e-01 G111 N = 113.030(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.6706e-01 S112 CA = 56.089(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.4189e-01 S112 CB = 63.495(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.4597e-01 S112 H = 8.091(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.4823e-01 S112 HA = 4.813(D), Expected = 4.51, Std = 0.4300, ChiSquare = 4.8103e-01 S112 HB2 = 3.869(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.6974e-01 S112 HB3 = 3.837(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.1522e-01 S112 N = 117.006(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.5815e-01 P113 CA = 63.806(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.5767e-01 P113 CB = 32.313(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.4395e-01 P113 CG = 27.474(D), Expected = 27.14, Std = 1.1800, ChiSquare = 7.7714e-01 P113 CD = 50.953(D), Expected = 50.28, Std = 1.0400, ChiSquare = 5.1756e-01 P113 HA = 4.556(D), Expected = 4.41, Std = 0.3600, ChiSquare = 6.8507e-01 P113 HB2 = 2.399(D), Expected = 2.05, Std = 0.3900, ChiSquare = 3.7086e-01 P113 HB3 = 2.032(D), Expected = 2.05, Std = 0.3900, ChiSquare = 9.6319e-01 P113 HG2 = 2.121(D), Expected = 1.93, Std = 0.3600, ChiSquare = 5.9573e-01 P113 HD2 = 3.937(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.0937e-01 P113 HD3 = 3.868(D), Expected = 3.63, Std = 0.4000, ChiSquare = 5.5184e-01 G114 CA = 45.397(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.6237e-01 G114 H = 8.461(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.7011e-01 G114 HA2 = 4.221(D), Expected = 3.95, Std = 0.4000, ChiSquare = 4.9809e-01 G114 HA3 = 3.707(D), Expected = 3.93, Std = 0.4000, ChiSquare = 5.7719e-01 G114 N = 109.559(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.3479e-01 I115 CA = 61.146(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.7311e-01 I115 CB = 38.959(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.5610e-01 I115 CG1 = 27.161(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.3306e-01 I115 CG2 = 17.467(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.4668e-01 I115 CD1 = 12.943(D), Expected = 13.41, Std = 1.9100, ChiSquare = 8.0684e-01 I115 H = 7.832(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.4663e-01 I115 HA = 4.168(D), Expected = 4.20, Std = 0.5600, ChiSquare = 9.5443e-01 I115 HB = 1.808(D), Expected = 1.80, Std = 0.3100, ChiSquare = 9.7941e-01 I115 HG2 = 0.824(D), Expected = 0.80, Std = 0.2900, ChiSquare = 9.3404e-01 I115 HG12 = 1.315(D), Expected = 1.30, Std = 0.4000, ChiSquare = 9.7009e-01 I115 HG13 = 1.132(D), Expected = 1.24, Std = 0.4000, ChiSquare = 7.8716e-01 I115 HD1 = 0.821(D), Expected = 0.70, Std = 0.3000, ChiSquare = 6.8670e-01 I115 N = 119.987(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.3255e-01 H116 CA = 56.424(D), Expected = 56.37, Std = 2.4000, ChiSquare = 9.8205e-01 H116 CB = 30.879(D), Expected = 29.95, Std = 2.1500, ChiSquare = 6.6567e-01 H116 CD2 = 116.712(D), Expected = 119.84, Std = 3.3000, ChiSquare = 3.4319e-01 H116 CE1 = 135.637(D), Expected = 136.05, Std = 3.5800, ChiSquare = 9.0816e-01 H116 H = 8.420(D), Expected = 8.25, Std = 0.7400, ChiSquare = 8.1830e-01 H116 HA = 4.654(D), Expected = 4.62, Std = 0.5100, ChiSquare = 9.4685e-01 H116 HB2 = 3.072(D), Expected = 3.12, Std = 0.4300, ChiSquare = 9.1112e-01 H116 HD2 = 6.982(D), Expected = 7.08, Std = 0.5000, ChiSquare = 8.4461e-01 H116 HE1 = 7.790(D), Expected = 8.08, Std = 0.5700, ChiSquare = 6.1091e-01 H116 N = 124.354(D), Expected = 119.44, Std = 4.5200, ChiSquare = 2.7696e-01 R117 CA = 55.943(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.7606e-01 R117 CB = 31.416(D), Expected = 30.66, Std = 1.7700, ChiSquare = 6.6929e-01 R117 CG = 26.983(D), Expected = 27.31, Std = 1.6500, ChiSquare = 8.4290e-01 R117 CD = 43.480(D), Expected = 43.10, Std = 1.1000, ChiSquare = 7.2975e-01 R117 H = 8.214(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.6544e-01 R117 HA = 4.399(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6938e-01 R117 HB2 = 1.878(D), Expected = 1.79, Std = 0.2800, ChiSquare = 7.5330e-01 R117 HB3 = 1.728(D), Expected = 1.78, Std = 0.2800, ChiSquare = 8.5267e-01 R117 HG2 = 1.606(D), Expected = 1.58, Std = 0.2700, ChiSquare = 9.2329e-01 R117 HD2 = 3.198(D), Expected = 3.13, Std = 0.2300, ChiSquare = 7.6750e-01 R117 N = 124.475(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.2167e-01 D118 CB = 42.423(D), Expected = 40.70, Std = 1.6700, ChiSquare = 3.0220e-01 D118 H = 8.025(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.9259e-01 D118 N = 127.786(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.2957e-02