Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.332(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.E5 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.E7 1.E7 H Shift Assignments>> H :: 8.290(D) HA :: 4.085(D) HB2 :: 2.075(D) HB3 :: 2.074(D) HG2 :: 2.317(D) HG3 :: 2.317(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.112(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 C 0.36 I 0.14 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> CA :: 58.721(D) CB :: 29.429 CG :: 36.533 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.370(D) HA :: 4.066(D) HB2 :: 2.073(D) HB3 :: 2.075(D) HG2 :: 2.305(D) HG3 :: 2.325(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.980(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.15 E 0.13 K 0.13 Q 0.11 H 0.1 R 0.09 I 0.06 M 0.02 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> CA :: 58.517(D) CB :: 29.226(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.278(D) HA :: 4.201(D) HB2 :: 2.055(D) HB3 :: 2.055(D) HG2 :: 2.247(D) HG3 :: 2.247(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.146(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.09 E 0.09 Y 0.09 C 0.09 K 0.08 R 0.07 S 0.06 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 HN Overlap>> 1.K119 1.V116 1.K119 1.V116 C Shift Assignments>> CA :: 57.687 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.078(D) HA :: 4.247(D) HB2 :: 2.134(D) HB3 :: 2.133(D) HG2 :: 2.679(D) HG3 :: 2.680(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.711(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.14 V 0.11 W 0.1 R 0.09 M 0.09 H 0.07 E 0.06 Q 0.05 C Shift Assignments>> CA :: 59.115(D) CB :: 32.390(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.912(D) HA :: 4.005(D) HB2 :: 1.898(D) HB3 :: 1.898(D) HG2 :: 1.421(D) HG3 :: 1.421(D) HD2 :: 1.593(D) HD3 :: 1.593(D) HE2 :: 2.952(D) HE3 :: 2.952(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.472(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.01 HN Overlap>> 1.I189 1.I189 C Shift Assignments>> CA :: 58.791(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.911(D) HA :: 4.099(D) HB2 :: 1.900(D) HB3 :: 1.912(D) HD2 :: 3.178(D) HD3 :: 3.178(D) HH12 :: 6.795(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.795(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.4 R 0.03 C Shift Assignments>> CA :: 57.281 CB :: 41.979(D) CG :: 26.992 CD1 :: 23.233(D) CD2 :: 25.125(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.058(D) HA :: 4.161(D) HB2 :: 1.764(D) HB3 :: 1.824(D) HG :: 1.580(D) HD11 :: 0.867(D) HD12 :: 0.867(D) HD13 :: 0.867(D) HD21 :: 0.908(D) HD22 :: 0.908(D) HD23 :: 0.908(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.028(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.59 C 0.37 R 0.01 C Shift Assignments>> CA :: 56.882(D) CB :: 41.901(D) CG :: 26.955 CD1 :: 23.660(D) CD2 :: 24.696(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.072(D) HA :: 4.185(D) HB2 :: 1.779(D) HB3 :: 1.779(D) HD11 :: 0.863(D) HD12 :: 0.863(D) HD13 :: 0.863(D) HD21 :: 0.884(D) HD22 :: 0.884(D) HD23 :: 0.884(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.877(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.64 M 0.32 C 0.01 HN Overlap>> 1.A104 1.K61 1.A104 1.K61 C Shift Assignments>> CA :: 53.806(D) CB :: 18.266(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.781(D) HA :: 4.224(D) HB1 :: 1.470(D) HB2 :: 1.470(D) HB3 :: 1.470(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.973(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.57 C 0.34 R 0.05 G 0.01 A 0.01 C Shift Assignments>> CA :: 56.282(D) CB :: 42.252(D) CG :: 27.031(D) CD1 :: 23.297(D) CD2 :: 25.175(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.816(D) HA :: 4.260(D) HB2 :: 1.612(D) HB3 :: 1.619(D) HG :: 1.602(D) HD11 :: 0.882(D) HD12 :: 0.882(D) HD13 :: 0.882(D) HD21 :: 0.920(D) HD22 :: 0.920(D) HD23 :: 0.920(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.047(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.343(D) CB :: 63.366(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.980(D) HA :: 4.408(D) HB2 :: 4.077(D) HB3 :: 3.939(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.754(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.212(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.096(D) HA :: 4.301(D) HB2 :: 2.030(D) HB3 :: 2.030(D) HE21 :: 7.486(D) HE22 :: 6.867(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.093(D) NE2 :: 112.345(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.09 E 0.09 Q 0.08 H 0.08 W 0.08 C 0.07 M 0.07 F 0.07 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 56.991(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.109(D) HA :: 4.147(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.526(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.49 W 0.47 Y 0.02 C Shift Assignments>> CD2 :: 120.250 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.179(D) HD2 :: 7.090(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.742(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.21 L 0.19 Q 0.13 C 0.12 H 0.08 W 0.07 K 0.06 E 0.05 I 0.02 C Shift Assignments>> CA :: 56.077(D) CD :: 27.325 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.199(D) HG2 :: 1.500(D) HG3 :: 1.500(D) HD2 :: 1.595(D) HD3 :: 1.595(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.F20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 Y 0.18 F 0.17 D 0.15 C 0.13 L 0.06 I 0.02 E 0.01 M 0.01 C Shift Assignments>> CA :: 55.335(D) CB :: 38.827(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.235(D) HA :: 4.925(D) HB2 :: 2.926(D) HB3 :: 3.278(D) HD1 :: 7.324(D) HD2 :: 7.324(D) HE1 :: 7.361 HE2 :: 7.361 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.256(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 63.050(D) CB :: 32.127(D) CG :: 27.399(D) CD :: 50.335(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.586(D) HB2 :: 2.368(D) HB3 :: 1.961(D) HG2 :: 1.968(D) HG3 :: 1.963(D) HD2 :: 3.648(D) HD3 :: 3.862(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.79 C 0.2 C Shift Assignments>> CA :: 60.239(D) CB :: 71.449(D) CG2 :: 21.567(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.277(D) HA :: 5.209(D) HB :: 4.173(D) HG21 :: 1.254(D) HG22 :: 1.254(D) HG23 :: 1.254(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.294(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 V 0.49 C Shift Assignments>> CA :: 60.043(D) CB :: 33.325(D) CG1 :: 20.599(D) CG2 :: 20.878(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.631(D) HA :: 4.629(D) HB :: 1.713(D) HG11 :: 0.902(D) HG12 :: 0.902(D) HG13 :: 0.902(D) HG21 :: 0.747(D) HG22 :: 0.747(D) HG23 :: 0.747(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.283(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> CA :: 62.587(D) CB :: 31.997 CD :: 51.190(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.494(D) HB2 :: 1.862 HB3 :: 2.291 HG2 :: 1.984(D) HG3 :: 1.927(D) HD2 :: 3.103(D) HD3 :: 3.412(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 61.742(D) CB :: 69.710(D) CG2 :: 22.714(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.693(D) HA :: 4.261(D) HB :: 4.010(D) HG1 :: 5.117(D) HG21 :: 0.927(D) HG22 :: 0.927(D) HG23 :: 0.927(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.670(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.28 K 0.27 C 0.26 E 0.08 R 0.04 M 0.03 C Shift Assignments>> CA :: 57.056(D) CB :: 33.921(D) CD :: 29.039(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.784(D) HA :: 4.397(D) HB2 :: 1.632(D) HB3 :: 1.370(D) HG2 :: 1.355(D) HG3 :: 1.355(D) HD2 :: 1.553(D) HD3 :: 1.538(D) HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.918(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.847(D) CB :: 64.238(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.170(D) HA :: 4.557(D) HB2 :: 3.660(D) HB3 :: 3.660(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.067(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E28 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.R133 1.R133 H Shift Assignments>> H :: 8.360(D) HB2 :: 2.140(D) HB3 :: 2.140(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.561(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> CG :: 26.086(D) CD1 :: 26.012(D) CD2 :: 23.327(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.687(D) HA :: 3.737(D) HG :: 1.030(D) HD11 :: 0.321(D) HD12 :: 0.321(D) HD13 :: 0.321(D) HD21 :: -0.118(D) HD22 :: -0.118(D) HD23 :: -0.118(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.601(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.1 C 0.02 L 0.01 C Shift Assignments>> CA :: 53.029(D) CB :: 19.511(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.628(D) HA :: 4.353(D) HB1 :: 1.169(D) HB2 :: 1.169(D) HB3 :: 1.169(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.991(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.71 V 0.25 A 0.03 C Shift Assignments>> CA :: 57.983(D) CB :: 35.132(D) CG1 :: 21.388(D) CG2 :: 20.257(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.032(D) HA :: 5.502(D) HB :: 1.189(D) HG11 :: -0.037(S) HG12 :: -0.037(S) HG13 :: -0.037(S) HG21 :: 0.567(D) HG22 :: 0.567(D) HG23 :: 0.567(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.535(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E32 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.W170 1.S198 1.W170 1.S198 H Shift Assignments>> H :: 9.001(D) HA :: 4.688(D) HB2 :: 2.059(D) HB3 :: 2.067(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.689(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CB :: 36.705(D) CG1 :: 27.363(D) CG2 :: 18.226(D) CD1 :: 12.572(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.557(D) HA :: 4.152(D) HB :: 1.888(D) HG12 :: 1.209(D) HG13 :: 1.332(D) HG21 :: 0.971(D) HG22 :: 0.971(D) HG23 :: 0.971(D) HD11 :: 0.753(D) HD12 :: 0.753(D) HD13 :: 0.753(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.512(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 C 0.24 A 0.19 R 0.16 G 0.02 C Shift Assignments>> CA :: 53.550(D) CB :: 42.459(D) CG :: 27.485(D) CD1 :: 22.268(D) CD2 :: 26.159(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.114(D) HA :: 4.572(D) HB2 :: 1.659(D) HB3 :: 1.668(D) HG :: 1.567(D) HD11 :: 0.750(D) HD12 :: 0.750(D) HD13 :: 0.750(D) HD21 :: 0.938(D) HD22 :: 0.938(D) HD23 :: 0.938(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.967(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.35 C 0.34 I 0.13 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> CA :: 58.713 CB :: 29.211(D) CG :: 36.139(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.078(D) HA :: 4.384(D) HB2 :: 1.684(D) HB3 :: 1.681(D) HG2 :: 2.234(D) HG3 :: 2.255(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.372(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Indeterminable PRTL>> K 0.82 L 0.15 R 0.01 C Shift Assignments>> CG :: 24.392(D) CD :: 29.188(D) CE :: 41.408(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.811(D) HB2 :: 1.896(D) HB3 :: 1.896(D) HG2 :: -0.313(S) HG3 :: 0.472(D) HD2 :: 0.753(S) HD3 :: 0.753(S) HE2 :: 2.268(S) HE3 :: 2.099(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.G37 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.348(D) HA2 :: 3.377(D) HA3 :: 4.226(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.119(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q38 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.404(D) HA :: 4.244(D) HB2 :: 2.153(D) HB3 :: 2.033(D) HG2 :: 2.305(D) HG3 :: 2.305(D) HE21 :: 7.572(D) HE22 :: 6.478(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.546(D) NE2 :: 112.078(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.56 C 0.42 C Shift Assignments>> CA :: 61.373(D) CB :: 33.788(D) CG1 :: 22.628(D) CG2 :: 20.592(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.755(D) HA :: 4.457(D) HB :: 1.911(D) HG11 :: 0.561(D) HG12 :: 0.561(D) HG13 :: 0.561(D) HG21 :: 0.767(D) HG22 :: 0.767(D) HG23 :: 0.767(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.746(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.79 G 0.15 K 0.05 C Shift Assignments>> CB :: 31.287(D) CG :: 27.311(D) CD :: 43.574(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.920(D) HA :: 4.155(D) HB2 :: 1.788(D) HB3 :: 1.920(D) HG2 :: 1.704(D) HG3 :: 1.589(D) HD2 :: 3.071(D) HD3 :: 3.071(D) HE :: 7.190(D) HH12 :: 6.803(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.947(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.48 Y 0.45 H 0.04 W 0.01 HN Overlap>> 1.D89 1.D89 C Shift Assignments>> CA :: 55.704(D) CD1 :: 132.083(D) CD2 :: 132.083(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.709(D) HA :: 5.576(D) HB2 :: 3.158(D) HB3 :: 3.353(D) HD1 :: 6.787(D) HD2 :: 6.787(D) HE1 :: 7.077(D) HE2 :: 7.077(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 128.189(D) Ave N Shift Values>> N :: 120.45(4.18) 1.W42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> CA :: 55.831(D) CD1 :: 125.074(D) CZ2 :: 114.504(D) CH2 :: 124.097(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.516(D) HA :: 6.171(D) HB2 :: 3.056 HB3 :: 3.056 HD1 :: 6.737(D) HE1 :: 10.167(D) HZ2 :: 7.383(D) HZ3 :: 6.840(D) HH2 :: 7.032(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.420(D) NE1 :: 129.872(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 M 0.33 A 0.2 C Shift Assignments>> CE :: 17.622(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.134(D) HA :: 4.079(D) HB2 :: 2.067(D) HB3 :: 2.073(D) HG2 :: 2.511(D) HG3 :: 2.125(D) HE1 :: 1.845(D) HE2 :: 1.845(D) HE3 :: 1.845(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.348(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.11 M 0.09 N 0.08 H 0.07 Q 0.06 R 0.06 A 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.828(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.411(D) HA :: 5.372(D) HG2 :: 2.313(D) HG3 :: 2.405(D) HE21 :: 7.902(D) HE22 :: 6.977(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.502(D) NE2 :: 110.460(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 C 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 51.017(D) CB :: 20.243(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.533(D) HA :: 4.140(D) HB1 :: 1.315(D) HB2 :: 1.315(D) HB3 :: 1.315(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.825(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 E 0.38 M 0.07 I 0.06 K 0.03 Q 0.03 C Shift Assignments>> CA :: 58.684(D) CB :: 30.565(D) CG :: 36.314(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.095(D) HA :: 3.952(D) HB2 :: 1.792(D) HB3 :: 1.920(D) HG2 :: 2.111(D) HG3 :: 2.168(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.058(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.52 C 0.41 R 0.05 C Shift Assignments>> CA :: 56.073(D) CB :: 34.068(D) CG :: 24.453(D) CD :: 29.063(D) CE :: 41.976(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.639(D) HA :: 4.122(D) HB2 :: 1.738(D) HB3 :: 1.740(D) HG2 :: 1.359(D) HG3 :: 1.304(D) HD2 :: 1.626(D) HD3 :: 1.668(D) HE2 :: 2.949(D) HE3 :: 2.971(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.468(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.52 L 0.29 C 0.14 A 0.02 C Shift Assignments>> CA :: 53.551(D) CB :: 44.992(D) CG :: 26.454(D) CD1 :: 23.674(D) CD2 :: 25.935(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.763(D) HA :: 4.576(D) HB2 :: 1.665(D) HB3 :: 1.306(D) HG :: 1.558(D) HD11 :: 0.746(D) HD12 :: 0.746(D) HD13 :: 0.746(D) HD21 :: 0.671(D) HD22 :: 0.671(D) HD23 :: 0.671(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.288(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S49 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.W42 1.W42 H Shift Assignments>> H :: 9.520(D) HB2 :: 3.858(D) HB3 :: 3.858(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.333(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S50 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.664(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.469(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N51 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.335(D) HA :: 4.804(D) HB2 :: 2.922(D) HB3 :: 2.562(D) HD21 :: 7.621(D) HD22 :: 7.003(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.316(D) ND2 :: 114.191(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.11 C 0.03 L 0.01 C Shift Assignments>> CA :: 53.395(D) CB :: 19.665(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.324(D) HA :: 4.569(D) HB1 :: 1.313(D) HB2 :: 1.313(D) HB3 :: 1.313(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.916(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 M 0.21 E 0.18 Q 0.09 K 0.08 N 0.07 Y 0.03 F 0.01 H 0.01 R 0.01 C Shift Assignments>> CA :: 54.552(D) CB :: 35.506(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.234(D) HA :: 4.759(D) HB2 :: 1.877(D) HB3 :: 1.810(D) HG2 :: 1.460(D) HG3 :: 1.460(D) HD2 :: 1.673(D) HD3 :: 1.674(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.499(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 V 0.49 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> CA :: 60.296(D) CB :: 34.294(D) CG1 :: 21.614(D) CG2 :: 20.298(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.576(D) HA :: 4.907(D) HB :: 1.647(D) HG11 :: 0.689(D) HG12 :: 0.689(D) HG13 :: 0.689(D) HG21 :: 0.111(D) HG22 :: 0.111(D) HG23 :: 0.111(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.860(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Q98 1.Q98 C Shift Assignments>> CA :: 56.967(D) CB :: 64.921(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.036(D) HA :: 4.856(D) HB2 :: 3.526(D) HB3 :: 3.527(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.749(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> CB :: 39.574(D) CD1 :: 133.807(D) CD2 :: 133.807(D) CE1 :: 117.470(D) CE2 :: 117.470(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.012(D) HA :: 4.588(D) HB2 :: 2.559(D) HB3 :: 2.205(D) HD1 :: 6.536(D) HD2 :: 6.536(D) HE1 :: 5.974(D) HE2 :: 5.974(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.619(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.55 C 0.44 C Shift Assignments>> CA :: 59.115(D) CB :: 40.424(D) CG1 :: 26.889(D) CG2 :: 17.381(D) CD1 :: 12.213(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.026(D) HA :: 4.512(D) HB :: 1.737(D) HG12 :: 1.110(D) HG13 :: 0.805(D) HG21 :: 0.534(D) HG22 :: 0.534(D) HG23 :: 0.534(D) HD11 :: 0.487(D) HD12 :: 0.487(D) HD13 :: 0.487(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.435(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.99 HN Overlap>> 1.D101 1.D101 C Shift Assignments>> CA :: 54.452(D) CD1 :: 131.128 CD2 :: 131.128 CE1 :: 131.177 CE2 :: 131.177 CZ :: 131.152(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.808(D) HA :: 5.177(D) HD1 :: 6.081(D) HD2 :: 6.081(D) HE1 :: 6.782(D) HE2 :: 6.782(D) HZ :: 7.114(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.476(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 N 0.23 D 0.12 L 0.06 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.132(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.821(D) HA :: 4.064(D) HB2 :: 2.634(D) HB3 :: 1.742(D) HD21 :: 7.062(D) HD22 :: 6.084(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 129.328(D) ND2 :: 112.396(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> I 0.62 E 0.31 K 0.03 C Shift Assignments>> CB :: 27.949 CG :: 37.024(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.353(D) HA :: 3.388(D) HB2 :: 2.056(D) HB3 :: 2.056(D) HG2 :: 1.960(D) HG3 :: 1.960(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 106.535(S) Ave N Shift Values>> N :: 120.67(3.48) 1.K61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.99 HN Overlap>> 1.A104 1.A104 1.A13 1.A13 C Shift Assignments>> CB :: 34.715(D) CG :: 24.686(D) CD :: 29.093(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.769(D) HA :: 4.594(D) HB2 :: 1.829(D) HB3 :: 1.822(D) HG2 :: 1.456(D) HG3 :: 1.445(D) HD2 :: 1.690(D) HD3 :: 1.679(D) HE2 :: 3.076 HE3 :: 3.080 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.990(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.53 I 0.25 K 0.12 Q 0.07 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> CB :: 28.772(D) CG :: 36.070(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.471(D) HA :: 4.467(D) HB2 :: 1.739(D) HB3 :: 1.739(D) HG2 :: 2.350(D) HG3 :: 1.749(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.852(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.6 C 0.39 C Shift Assignments>> CA :: 59.929(D) CB :: 40.286(D) CG2 :: 18.828(D) CD1 :: 11.856(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.446(D) HA :: 4.426(D) HB :: 1.491(D) HG12 :: 0.465(D) HG13 :: 0.661(D) HG21 :: 0.890(D) HG22 :: 0.890(D) HG23 :: 0.890(D) HD11 :: -0.357(S) HD12 :: -0.357(S) HD13 :: -0.357(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.121(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.5 F 0.46 H 0.02 HN Overlap>> 1.W145 1.W145 C Shift Assignments>> CD1 :: 132.213(D) CD2 :: 132.213(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.033(D) HA :: 4.860(D) HB2 :: 3.367(D) HB3 :: 2.638(D) HD1 :: 7.305(D) HD2 :: 7.305(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.537(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.23 I 0.08 M 0.07 Y 0.05 N 0.05 K 0.02 V 0.02 F 0.02 Q 0.01 C Shift Assignments>> CG :: 36.071 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.612(D) HA :: 4.445(D) HB2 :: 1.948(D) HB3 :: 1.948(D) HG2 :: 2.457(D) HG3 :: 2.457(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.056(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G66 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.083(D) HA2 :: 4.069(D) HA3 :: 4.069(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.452(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.28 P 0.2 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> CA :: 64.104(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.356(D) HB2 :: 2.372(D) HB3 :: 2.372(D) HG2 :: 1.999(D) HG3 :: 1.999(D) HD2 :: 3.717(D) HD3 :: 3.717(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.38 C 0.33 R 0.17 I 0.05 L 0.04 C Shift Assignments>> CA :: 57.840(D) CD :: 29.170 CE :: 41.980(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.690(D) HA :: 4.260(D) HB2 :: 1.068(D) HB3 :: 1.068(D) HG2 :: 0.244(S) HG3 :: 0.914(D) HD2 :: 1.688(D) HD3 :: 1.259(D) HE2 :: 2.759(D) HE3 :: 2.673(D) HZ1 :: 7.118(U) HZ2 :: 7.118(U) HZ3 :: 7.118(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.832(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.92 Y 0.07 C Shift Assignments>> CA :: 55.885 CD1 :: 135.130 CD2 :: 135.130 CE1 :: 119.250 CE2 :: 119.250 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.831(D) HA :: 5.212(D) HB2 :: 2.912(D) HB3 :: 2.533(D) HD1 :: 7.142(D) HD2 :: 7.142(D) HE1 :: 6.864(D) HE2 :: 6.864(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.189(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.64 I 0.23 V 0.05 E 0.02 Q 0.02 C Shift Assignments>> CB :: 35.852(D) CG :: 24.750(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.282(D) HA :: 4.837(D) HB2 :: 1.967(D) HB3 :: 1.842(D) HG2 :: 1.528(D) HG3 :: 1.531(D) HE2 :: 2.933(D) HE3 :: 2.933(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.446(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.36 A 0.29 C 0.11 V 0.08 I 0.07 L 0.04 T 0.02 C Shift Assignments>> CA :: 56.544(D) CE :: 19.604(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.822(D) HA :: 5.118(D) HB2 :: 2.224(D) HB3 :: 1.511(D) HG2 :: 2.637(D) HG3 :: 2.632(D) HE1 :: 1.051(D) HE2 :: 1.051(D) HE3 :: 1.051(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.837(D) Ave N Shift Values>> N :: 120.09(3.57) 1.H72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.59 H 0.25 Y 0.15 C Shift Assignments>> CD2 :: 123.610 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.724(D) HA :: 4.833(D) HB2 :: 3.282(D) HB3 :: 3.310(D) HD2 :: 7.160 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.898(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 I 0.48 C Shift Assignments>> CA :: 60.407 CB :: 41.844(D) CG1 :: 28.111(D) CG2 :: 17.226(D) CD1 :: 14.893(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.099(D) HA :: 4.554(D) HB :: 1.619(D) HG12 :: 1.647(D) HG13 :: 1.647(D) HG21 :: 0.700(D) HG22 :: 0.700(D) HG23 :: 0.700(D) HD11 :: 0.865(D) HD12 :: 0.865(D) HD13 :: 0.865(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.514(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D74 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.I168 1.I168 H Shift Assignments>> H :: 8.613(D) HB2 :: 2.953 HB3 :: 2.953 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.225(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.18 I 0.14 W 0.1 Q 0.09 L 0.08 H 0.06 E 0.06 K 0.06 C Shift Assignments>> CA :: 58.658(D) CG :: 27.332(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.971(D) HA :: 3.864(D) HG2 :: 1.664(D) HG3 :: 1.664(D) HH21 :: 6.750(D) HH22 :: 6.750(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.213(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 I 0.24 Y 0.21 F 0.14 C 0.07 D 0.05 L 0.01 C Shift Assignments>> CB :: 38.806(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.670(D) HA :: 4.638(D) HB2 :: 3.097(D) HB3 :: 2.899(D) HD21 :: 7.933(D) HD22 :: 7.048(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.977(D) ND2 :: 114.835(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.661(D) CB :: 70.590(D) CG2 :: 21.457(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.554(D) HA :: 4.423(D) HB :: 4.328(D) HG21 :: 1.212(D) HG22 :: 1.212(D) HG23 :: 1.212(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.734(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.326(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.269(D) HA2 :: 3.294(D) HA3 :: 4.638(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.813(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CB :: 37.429(D) CG1 :: 28.197(D) CG2 :: 16.916(D) CD1 :: 11.440(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.656(D) HA :: 4.648(D) HB :: 1.894(D) HG12 :: 1.169(D) HG13 :: 1.642(D) HG21 :: 0.931(D) HG22 :: 0.931(D) HG23 :: 0.931(D) HD11 :: 0.824(D) HD12 :: 0.824(D) HD13 :: 0.824(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.769(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CG1 :: 27.320(D) CG2 :: 20.601(D) CD1 :: 15.197(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.586(D) HA :: 4.562(D) HB :: 1.663(D) HG12 :: 1.517(D) HG13 :: 1.517(D) HG21 :: 0.890(D) HG22 :: 0.890(D) HG23 :: 0.890(D) HD11 :: 0.837(D) HD12 :: 0.837(D) HD13 :: 0.837(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.386(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> D 0.16 N 0.13 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.291(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.305(D) HA :: 6.126(S) HG2 :: 2.547(D) HG3 :: 2.412(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.787(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 M 0.32 A 0.23 V 0.01 C Shift Assignments>> CE :: 17.723(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.582(D) HA :: 5.379(D) HB2 :: 1.885(D) HB3 :: 2.113(D) HG2 :: 2.342(D) HG3 :: 2.322(D) HE1 :: 1.448(D) HE2 :: 1.448(D) HE3 :: 1.448(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.587(D) Ave N Shift Values>> N :: 120.09(3.57) 1.F83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.71 Y 0.27 W 0.01 C Shift Assignments>> CA :: 55.861(D) CD1 :: 131.080(D) CD2 :: 131.080(D) CE1 :: 130.909(D) CE2 :: 130.909(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.976(D) HA :: 6.146(D) HB2 :: 2.843(D) HB3 :: 3.100(D) HD1 :: 7.021(D) HD2 :: 7.021(D) HE1 :: 6.821(D) HE2 :: 6.821(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.558(D) Ave N Shift Values>> N :: 120.45(4.18) 1.M84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.278(D) CE :: 17.632(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.195(D) HA :: 4.962(D) HB2 :: 1.755(D) HB3 :: 2.515(D) HG2 :: 2.657(D) HG3 :: 2.832(D) HE1 :: 2.155(D) HE2 :: 2.155(D) HE3 :: 2.155(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.918(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 E 0.37 M 0.13 Q 0.02 I 0.02 K 0.01 HN Overlap>> 1.E206 1.E206 1.I177 1.I177 C Shift Assignments>> CA :: 58.058(D) CB :: 31.205(D) CG :: 36.358(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.128(D) HA :: 4.124(D) HB2 :: 2.057(D) HB3 :: 2.057(D) HG2 :: 2.214(D) HG3 :: 2.390(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.108(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.98 G 0.01 C Shift Assignments>> CB :: 35.457(D) CG :: 23.895 CD :: 28.855(D) CE :: 41.783(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.418(D) HA :: 4.534(D) HB2 :: 1.786(D) HB3 :: 1.788(D) HG2 :: 1.242(D) HG3 :: 1.250(D) HD2 :: 1.546(D) HD3 :: 1.528(D) HE2 :: 2.819(D) HE3 :: 2.815(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 112.712(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.95 K 0.03 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> CD1 :: 23.517(D) CD2 :: 26.091(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.787(D) HA :: 4.921(D) HB2 :: 1.697(D) HB3 :: 1.697(D) HD11 :: 0.746(D) HD12 :: 0.746(D) HD13 :: 0.746(D) HD21 :: 0.740(D) HD22 :: 0.740(D) HD23 :: 0.740(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.582(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q88 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 10.060(D) HA :: 4.825(D) HB2 :: 1.883(D) HB3 :: 1.883(D) HG2 :: 2.361(D) HG3 :: 2.199(D) HE21 :: 7.848(D) HE22 :: 6.894(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.232(D) NE2 :: 112.262(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D89 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.F41 1.F41 H Shift Assignments>> H :: 9.633(D) HB2 :: 2.780(D) HB3 :: 2.780(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.139(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 E 0.25 M 0.13 K 0.09 Q 0.08 Y 0.05 F 0.02 I 0.02 V 0.02 H 0.01 C Shift Assignments>> CA :: 57.533(D) CG :: 35.436 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.132(D) HA :: 4.383(D) HB2 :: 2.161(D) HB3 :: 2.161(D) HG2 :: 2.168 HG3 :: 2.168 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.331(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D91 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.749(D) HA :: 4.758(D) HB2 :: 2.794(D) HB3 :: 2.794(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.525(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.26 C 0.24 Y 0.16 F 0.1 M 0.06 I 0.05 N 0.04 K 0.02 D 0.01 C Shift Assignments>> CA :: 56.819 CG :: 36.966 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.711(D) HA :: 3.168(D) HB2 :: 1.394(D) HB3 :: 1.684(D) HG2 :: 2.117(D) HG3 :: 2.457(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.142(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G93 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.350(D) HA2 :: 3.633(D) HA3 :: 4.769(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.130(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 V 0.02 C Shift Assignments>> CB :: 70.113(D) CG2 :: 22.175(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.084(D) HA :: 4.816(D) HB :: 3.852(D) HG21 :: 1.040(D) HG22 :: 1.040(D) HG23 :: 1.040(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.470(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.76 H 0.22 C Shift Assignments>> CA :: 57.265(D) CD1 :: 133.320 CD2 :: 133.320 CE1 :: 118.470 CE2 :: 118.470 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.325(D) HA :: 5.227(D) HB2 :: 2.977(D) HB3 :: 2.523(D) HD1 :: 6.753(D) HD2 :: 6.753(D) HE1 :: 6.526(D) HE2 :: 6.526(D) HH :: 8.788(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 130.235(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 T 0.49 C Shift Assignments>> CA :: 60.990(D) CB :: 73.261(D) CG2 :: 22.105(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.388(D) HA :: 5.351(D) HB :: 3.592(D) HG21 :: 1.039(D) HG22 :: 1.039(D) HG23 :: 1.039(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.001(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.171 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.796(D) HA :: 5.317(D) HB2 :: 2.587(D) HB3 :: 3.355(D) HD1 :: 7.033(D) HD2 :: 7.033(D) HE1 :: 7.135(D) HE2 :: 7.135(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.178(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.53 M 0.4 Q 0.05 E 0.01 HN Overlap>> 1.S55 1.S55 C Shift Assignments>> CA :: 54.235(D) CB :: 33.938(D) CG :: 33.931(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.040(D) HA :: 4.887(D) HB2 :: 2.067(D) HB3 :: 2.094(D) HG2 :: 2.106(D) HG3 :: 2.103(D) HE21 :: 7.096(D) HE22 :: 6.657(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.749(D) NE2 :: 110.133(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.59 I 0.39 C Shift Assignments>> CA :: 60.588 CB :: 41.729(D) CG1 :: 28.436(D) CG2 :: 19.187(D) CD1 :: 14.968(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.144(D) HA :: 4.678(D) HB :: 1.336(D) HG12 :: 1.379(D) HG13 :: 0.791(D) HG21 :: 0.716(D) HG22 :: 0.716(D) HG23 :: 0.716(D) HD11 :: 0.737(D) HD12 :: 0.737(D) HD13 :: 0.737(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.991(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.45 C 0.26 Q 0.21 E 0.03 K 0.02 C Shift Assignments>> CA :: 54.578(D) CB :: 31.670(D) CG :: 33.557(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.972(D) HA :: 4.928(D) HB2 :: 1.955(D) HB3 :: 1.989(D) HG2 :: 2.332(D) HG3 :: 2.297(D) HE21 :: 7.510(D) HE22 :: 6.685(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.673(D) NE2 :: 112.033(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D101 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.F58 1.F58 H Shift Assignments>> H :: 8.906(D) HA :: 4.792(D) HB2 :: 2.887(D) HB3 :: 2.887(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.486(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> CA :: 46.943 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.049(D) HA2 :: 3.595(D) HA3 :: 4.060(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.107(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> K 0.48 C 0.4 R 0.05 Q 0.04 C Shift Assignments>> CA :: 56.237(D) CB :: 33.165(D) CG :: 24.748(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.056(D) HA :: 4.190(D) HB2 :: 1.607(D) HB3 :: 1.608(D) HG2 :: 1.468(D) HG3 :: 1.238(D) HE2 :: 2.935(D) HE3 :: 2.945(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.A104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 L 0.04 C 0.03 M 0.01 HN Overlap>> 1.K61 1.A13 1.K61 1.A13 C Shift Assignments>> CA :: 51.375(D) CB :: 20.725(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.739(D) HA :: 4.578(D) HB1 :: 1.304(D) HB2 :: 1.304(D) HB3 :: 1.304(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.981(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.64 C 0.35 C Shift Assignments>> CA :: 59.567(D) CB :: 72.221(D) CG2 :: 21.674(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.942(D) HA :: 5.329(D) HB :: 4.140(D) HG21 :: 1.150(D) HG22 :: 1.150(D) HG23 :: 1.150(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.238(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G106 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.867(D) HA2 :: 4.630(D) HA3 :: 3.929(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.585(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 C 0.15 Q 0.12 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> CA :: 55.577(D) CB :: 32.716 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.469(D) HA :: 5.590(D) HB2 :: 2.861(D) HB3 :: 3.246(D) HD2 :: 7.367(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.082(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.26 V 0.22 P 0.17 T 0.17 I 0.12 C 0.02 C Shift Assignments>> CB :: 64.832(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.358(D) HA :: 4.530(D) HB2 :: 3.707(D) HB3 :: 3.702(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.795(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.68 C 0.31 C Shift Assignments>> CA :: 61.874(D) CB :: 72.571(D) CG2 :: 22.432(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.471(D) HA :: 5.495(D) HB :: 3.742(D) HG21 :: 1.089(D) HG22 :: 1.089(D) HG23 :: 1.089(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.518(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 C 0.28 A 0.07 C Shift Assignments>> CA :: 54.112 CG :: 26.972(D) CD1 :: 26.697(D) CD2 :: 23.084(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.962(D) HA :: 4.761(D) HB2 :: 1.783 HB3 :: 1.783 HG :: 1.430(D) HD11 :: 0.793(D) HD12 :: 0.793(D) HD13 :: 0.793(D) HD21 :: 0.989(D) HD22 :: 0.989(D) HD23 :: 0.989(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.515(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.73 C 0.26 C Shift Assignments>> CA :: 63.101(D) CB :: 31.695(D) CG1 :: 21.561(D) CG2 :: 21.169(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.972(D) HA :: 4.229(D) HB :: 2.142(D) HG11 :: 0.960(D) HG12 :: 0.960(D) HG13 :: 0.960(D) HG21 :: 0.972(D) HG22 :: 0.972(D) HG23 :: 0.972(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.899(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> CG :: 26.811 CD1 :: 26.141(D) CD2 :: 24.287(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.973(D) HA :: 4.834(D) HB2 :: 2.415(D) HB3 :: 2.415(D) HG :: 1.827(D) HD11 :: 1.033(D) HD12 :: 1.033(D) HD13 :: 1.033(D) HD21 :: 0.993(D) HD22 :: 0.993(D) HD23 :: 0.993(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 132.815(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.6 I 0.3 G 0.08 HN Overlap>> 1.F227 1.F227 C Shift Assignments>> CA :: 59.184(D) CB :: 42.991(D) CG1 :: 26.444(D) CG2 :: 17.172(D) CD1 :: 13.466(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.575(D) HA :: 4.896(D) HB :: 1.754(D) HG12 :: 0.923(D) HG13 :: 1.356(D) HG21 :: 0.838(D) HG22 :: 0.838(D) HG23 :: 0.838(D) HD11 :: 0.775(D) HD12 :: 0.775(D) HD13 :: 0.775(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.434(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G114 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.537(D) HA2 :: 3.892(D) HA3 :: 3.889(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.859(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.29 Y 0.27 C 0.12 L 0.08 I 0.08 D 0.07 K 0.04 N 0.01 C Shift Assignments>> CA :: 58.024(D) CB :: 40.297(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.355(D) HB2 :: 2.724(D) HB3 :: 2.708(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.V116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 HN Overlap>> 1.M8 1.M8 C Shift Assignments>> CA :: 65.673(D) CB :: 31.996(D) CG1 :: 20.852(D) CG2 :: 22.254(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.126(D) HA :: 3.787(D) HB :: 2.372(D) HG11 :: 1.116(D) HG12 :: 1.116(D) HG13 :: 1.116(D) HG21 :: 1.183(D) HG22 :: 1.183(D) HG23 :: 1.183(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.685(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.96 H 0.02 C Shift Assignments>> CA :: 61.678(D) CD1 :: 132.422(D) CD2 :: 132.422(D) CE1 :: 117.898(D) CE2 :: 117.898(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.973(D) HA :: 4.039(D) HB2 :: 2.785(D) HB3 :: 3.070(D) HD1 :: 7.017(D) HD2 :: 7.017(D) HE1 :: 6.643(D) HE2 :: 6.643(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.665(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 K 0.35 L 0.2 R 0.04 HN Overlap>> 1.Q129 1.W131 1.Q129 1.W131 C Shift Assignments>> CA :: 58.582(D) CG :: 24.862(D) CD :: 27.914(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.245(D) HA :: 3.973(D) HG2 :: 1.656(D) HG3 :: 1.663(D) HD2 :: 1.734(D) HD3 :: 1.857(D) HE2 :: 3.066(D) HE3 :: 3.021(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.599(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.53 K 0.46 HN Overlap>> 1.M8 1.M8 C Shift Assignments>> CA :: 59.812(D) CB :: 32.306(D) CG :: 24.889(D) CD :: 29.100(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.050(D) HA :: 3.975(D) HB2 :: 1.870(D) HB3 :: 1.871(D) HG2 :: 1.379(D) HG3 :: 1.599(D) HD2 :: 1.686(D) HD3 :: 1.680(D) HE2 :: 2.967(D) HE3 :: 2.967(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.778(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.46 C 0.42 R 0.09 G 0.01 C Shift Assignments>> CA :: 57.841(D) CB :: 42.072(D) CG :: 26.636(D) CD1 :: 24.436(D) CD2 :: 26.504(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.175(D) HA :: 4.106(D) HB2 :: 1.620(D) HB3 :: 1.612(D) HG :: 1.446(D) HD11 :: 0.808(D) HD12 :: 0.808(D) HD13 :: 0.808(D) HD21 :: 0.792(D) HD22 :: 0.792(D) HD23 :: 0.792(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.448(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.08 W 0.08 V 0.05 T 0.05 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.611(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.509(D) HA :: 3.732(D) HB2 :: 1.971(D) HB3 :: 1.936 HG2 :: 2.375(D) HG3 :: 2.369(D) HE21 :: 7.357(D) HE22 :: 6.963(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.786(D) NE2 :: 109.782(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Unknown N Shifts: Duplicate PRTL>> C 0.23 V 0.13 K 0.12 W 0.11 R 0.09 M 0.08 H 0.07 E 0.07 Q 0.03 C Shift Assignments>> CA :: 59.409(D) CB :: 32.122(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.939(D) HA :: 4.045(D) HB2 :: 1.951(D) HB3 :: 1.957(D) HD2 :: 1.650 HD3 :: 1.514 HE2 :: 2.993(D) HE3 :: 2.993(D) HZ1 :: 7.084(U) HZ2 :: 7.084(U) HZ3 :: 7.084(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.571(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E123 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.084(D) HA :: 4.255(D) HB2 :: 2.057(D) HB3 :: 1.929 HG2 :: 2.457(D) HG3 :: 2.457(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.864(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.19 I 0.07 C 0.02 HN Overlap>> 1.V147 1.V147 C Shift Assignments>> CA :: 55.901(D) CB :: 17.511(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.825(D) HA :: 4.068(D) HB1 :: 1.518(D) HB2 :: 1.518(D) HB3 :: 1.518(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.745(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.34 C 0.33 K 0.11 I 0.1 Q 0.08 M 0.01 C Shift Assignments>> CA :: 58.577(D) CB :: 29.221(D) CG :: 35.852(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.195(D) HA :: 4.256(D) HB2 :: 2.159(D) HB3 :: 2.125(D) HG2 :: 2.452(D) HG3 :: 2.452(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.291(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.4 Y 0.38 C 0.21 C Shift Assignments>> CA :: 61.340(D) CB :: 38.733(D) CD1 :: 131.921(D) CD2 :: 131.921(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.370(D) HA :: 4.384(D) HB2 :: 3.274(D) HB3 :: 3.385(D) HD1 :: 7.320(D) HD2 :: 7.320(D) HE1 :: 7.356(D) HE2 :: 7.356(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.855(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 R 0.29 K 0.18 Q 0.09 M 0.02 C Shift Assignments>> CA :: 58.592(D) CB :: 27.522(D) CG :: 32.012(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.502(D) HA :: 4.068(D) HB2 :: 2.083(D) HB3 :: 1.881(D) HG2 :: 2.674(D) HG3 :: 2.499(D) HE21 :: 6.937(D) HE22 :: 7.948(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.287(D) NE2 :: 112.674(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 W 0.13 K 0.13 E 0.12 H 0.12 C 0.11 R 0.08 I 0.06 M 0.01 V 0.01 HN Overlap>> 1.D224 1.D224 C Shift Assignments>> CB :: 29.327(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.433(D) HB2 :: 1.888(D) HB3 :: 1.888(D) HE :: 7.170(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.672(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 Q 0.24 K 0.19 R 0.09 E 0.05 I 0.03 HN Overlap>> 1.K118 1.K118 1.W131 1.W131 C Shift Assignments>> CA :: 58.607(D) CB :: 27.799(D) CG :: 33.996(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.278(D) HA :: 4.042(D) HB2 :: 2.219(D) HB3 :: 2.267(D) HG2 :: 2.529(D) HG3 :: 2.654(D) HE21 :: 6.875(D) HE22 :: 7.672(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.560(D) NE2 :: 112.037(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E130 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.614(D) HB2 :: 1.686(D) HB3 :: 1.686(D) HG2 :: 2.225(D) HG3 :: 2.225(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.043(D) Ave N Shift Values>> N :: 120.67(3.48) 1.W131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.66 W 0.33 HN Overlap>> 1.K118 1.Q129 1.K118 1.Q129 C Shift Assignments>> CD1 :: 127.010(D) CZ3 :: 124.667(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.216(D) HB2 :: 3.410(D) HB3 :: 3.410(D) HD1 :: 7.187(D) HE1 :: 10.166(D) HE3 :: 7.588(D) HZ2 :: 7.338(D) HZ3 :: 7.142(D) HH2 :: 7.326(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.606(D) NE1 :: 129.866(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.87 C 0.12 HN Overlap>> 1.N152 1.N152 C Shift Assignments>> CA :: 65.060(D) CB :: 38.372(D) CG1 :: 29.148(D) CG2 :: 16.954(D) CD1 :: 13.256(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.836(D) HA :: 4.044(D) HB :: 1.956(D) HG12 :: 1.274(D) HG13 :: 1.274(D) HG21 :: 0.927(D) HG22 :: 0.927(D) HG23 :: 0.927(D) HD11 :: 0.947(D) HD12 :: 0.947(D) HD13 :: 0.947(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.973(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R133 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.E28 1.E28 H Shift Assignments>> H :: 8.279(D) HG2 :: 1.627(D) HG3 :: 1.627(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.505(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K134 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.545(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.706(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 R 0.21 Q 0.13 C 0.12 H 0.08 W 0.07 K 0.06 E 0.05 I 0.01 M 0.01 C Shift Assignments>> CA :: 55.236(D) CB :: 27.393(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.181(D) HA :: 3.833(D) HB2 :: 1.563(D) HB3 :: 2.025(D) HG2 :: 1.790(D) HG3 :: 1.790(D) HE21 :: 6.159(D) HE22 :: 6.001(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.019(D) NE2 :: 114.192(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> CA :: 43.295(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.031(D) HA2 :: 4.158(D) HA3 :: 4.158(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.933(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P137 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HD2 :: 3.510(D) HD3 :: 3.615(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.H138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> CA :: 52.291(D) CB :: 19.105(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.357(D) HB1 :: 1.394(D) HB2 :: 1.394(D) HB3 :: 1.394(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> M 0.16 K 0.15 C 0.15 R 0.13 H 0.12 W 0.1 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> CA :: 56.590(D) CB :: 31.912(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.470(D) HB2 :: 1.849(D) HB3 :: 2.006(D) HG2 :: 2.522(D) HG3 :: 2.522(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.Y142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.39 Y 0.37 C 0.22 C Shift Assignments>> CA :: 58.547(D) CB :: 38.945(D) CD1 :: 131.954(D) CD2 :: 131.954(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.558(D) HA :: 3.959(D) HB2 :: 2.767(D) HB3 :: 3.212(D) HD1 :: 7.047(D) HD2 :: 7.047(D) HE1 :: 6.870(D) HE2 :: 6.870(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.230(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.63 C 0.32 K 0.02 C Shift Assignments>> CA :: 56.017(D) CD1 :: 25.880(D) CD2 :: 24.779(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.965(D) HA :: 4.236(D) HD11 :: 0.827(D) HD12 :: 0.827(D) HD13 :: 0.827(D) HD21 :: 0.984(D) HD22 :: 0.984(D) HD23 :: 0.984(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.483(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S144 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.281(D) HA :: 4.665(D) HB2 :: 3.826(D) HB3 :: 3.983(D) HG :: 5.593(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.859(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> CA :: 54.449(D) CD1 :: 126.576(D) CZ2 :: 114.180(D) CH2 :: 124.043(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.962(D) HA :: 6.103(D) HB2 :: 2.862(D) HB3 :: 2.862(D) HD1 :: 7.052(D) HE1 :: 10.213(D) HE3 :: 7.638(D) HZ2 :: 7.359(D) HZ3 :: 6.804(D) HH2 :: 7.064(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 114.471(D) NE1 :: 129.338(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.22 C 0.17 K 0.16 H 0.05 R 0.05 W 0.03 E 0.01 C Shift Assignments>> CA :: 54.751(D) CB :: 33.749 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.822(D) HA :: 4.392(D) HB2 :: 1.892(D) HB3 :: 1.892(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.983(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 C 0.35 HN Overlap>> 1.A124 1.A124 C Shift Assignments>> CA :: 62.000(D) CB :: 32.364(D) CG1 :: 21.199(D) CG2 :: 22.096(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.740(D) HA :: 4.804(D) HB :: 2.009(D) HG11 :: 0.967(D) HG12 :: 0.967(D) HG13 :: 0.967(D) HG21 :: 1.024(D) HG22 :: 1.024(D) HG23 :: 1.024(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.791(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 60.000(D) CB :: 70.194(D) CG2 :: 21.576(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.540(D) HA :: 4.681(D) HB :: 4.163(D) HG21 :: 1.061(D) HG22 :: 1.061(D) HG23 :: 1.061(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.675(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.937(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.486(D) HA2 :: 3.940(D) HA3 :: 3.868(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.830(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 C 0.35 I 0.13 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> CA :: 58.475(D) CB :: 29.326(D) CG :: 36.446(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.404(D) HA :: 4.152(D) HB2 :: 2.087(D) HB3 :: 2.081(D) HG2 :: 2.270(D) HG3 :: 2.266(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.793(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.075(D) CB :: 63.519(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.299(D) HA :: 4.449(D) HB2 :: 4.098(D) HB3 :: 3.953(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.262(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 D 0.29 L 0.08 C 0.06 F 0.04 Y 0.03 HN Overlap>> 1.I132 1.I132 C Shift Assignments>> CA :: 51.598(D) CB :: 40.052(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.791(D) HA :: 5.468(D) HB2 :: 3.036(D) HB3 :: 2.616(D) HD21 :: 7.416(D) HD22 :: 7.154(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.904(D) ND2 :: 113.927(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 C 0.47 HN Overlap>> 1.E196 1.E196 C Shift Assignments>> CA :: 61.680(D) CB :: 35.645(D) CG1 :: 21.858(D) CG2 :: 21.508(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.794(D) HA :: 4.626(D) HB :: 1.570(D) HG11 :: 0.184(D) HG12 :: 0.184(D) HG13 :: 0.184(D) HG21 :: 0.600(D) HG22 :: 0.600(D) HG23 :: 0.600(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.158(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> CG :: 27.247 CD1 :: 24.238(D) CD2 :: 26.254(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.188(D) HA :: 5.278(D) HD11 :: 0.851(D) HD12 :: 0.851(D) HD13 :: 0.851(D) HD21 :: 0.807(D) HD22 :: 0.807(D) HD23 :: 0.807(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.913(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.46 C 0.22 R 0.22 G 0.07 C Shift Assignments>> CA :: 53.947(D) CB :: 43.213 CG :: 27.913(D) CD1 :: 25.030(D) CD2 :: 26.037(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.112(D) HA :: 5.261(D) HG :: 1.529(D) HD11 :: 0.667(D) HD12 :: 0.667(D) HD13 :: 0.667(D) HD21 :: 0.524(D) HD22 :: 0.524(D) HD23 :: 0.524(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.500(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.71 K 0.16 L 0.05 I 0.02 E 0.01 HN Overlap>> 1.K210 1.K210 C Shift Assignments>> CA :: 54.494(D) CB :: 36.842(D) CG :: 24.816(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.759(D) HA :: 5.492(D) HB2 :: 1.590(D) HB3 :: 1.593(D) HG2 :: 1.491(D) HG3 :: 1.491(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.647(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C157 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.675(D) HA :: 4.679(D) HB2 :: 3.005(D) HB3 :: 3.005(D) HG :: 2.366(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.800(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K158 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.720(D) HA :: 4.638(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.772(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.82 V 0.16 C Shift Assignments>> CA :: 59.438(D) CB :: 33.832(D) CG1 :: 19.006(D) CG2 :: 23.064(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.323(D) HA :: 4.585(D) HB :: 1.663(D) HG11 :: 0.659(D) HG12 :: 0.659(D) HG13 :: 0.659(D) HG21 :: 0.571(D) HG22 :: 0.571(D) HG23 :: 0.571(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.477(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.48 L 0.34 C 0.14 K 0.01 C Shift Assignments>> CA :: 50.544(D) CB :: 22.649(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.706(D) HA :: 4.660(D) HB1 :: 0.660(D) HB2 :: 0.660(D) HB3 :: 0.660(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.142(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N161 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.448(D) HB2 :: 2.919(D) HB3 :: 2.919(D) HD21 :: 6.576(D) HD22 :: 6.293(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.719(D) ND2 :: 109.827(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CG2 :: 18.668(D) CD1 :: 12.870(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 4.216(D) HB :: 1.868(D) HG21 :: 0.616(D) HG22 :: 0.616(D) HG23 :: 0.616(D) HD11 :: 0.465(D) HD12 :: 0.465(D) HD13 :: 0.465(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.K163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E165 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.768(D) HA :: 4.204(D) HB2 :: 1.981(D) HB3 :: 1.975(D) HG2 :: 2.187(D) HG3 :: 2.187(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 112.895(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 T 0.3 L 0.21 C 0.06 A 0.04 K 0.01 C Shift Assignments>> CG2 :: 22.373(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.033(D) HA :: 3.998(D) HG21 :: 1.084(D) HG22 :: 1.084(D) HG23 :: 1.084(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.761(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.370(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.316(D) HA :: 4.969(D) HB2 :: 3.035(D) HB3 :: 3.091(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 128.576(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.D74 1.D74 C Shift Assignments>> CB :: 38.832(D) CG2 :: 15.362(D) CD1 :: 13.381(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.682(D) HA :: 4.916(D) HB :: 1.892(D) HG21 :: 0.600(D) HG22 :: 0.600(D) HG23 :: 0.600(D) HD11 :: 0.447(D) HD12 :: 0.447(D) HD13 :: 0.447(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.296(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CB :: 35.516 CG1 :: 21.789(D) CG2 :: 21.577(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.367(D) HA :: 4.758(D) HG11 :: 0.696(D) HG12 :: 0.696(D) HG13 :: 0.696(D) HG21 :: 0.909(D) HG22 :: 0.909(D) HG23 :: 0.909(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.375(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 HN Overlap>> 1.S198 1.E32 1.S198 1.E32 C Shift Assignments>> CD1 :: 126.496(D) CZ2 :: 114.368(D) CH2 :: 124.111(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.989(D) HB2 :: 3.084(D) HB3 :: 3.047(D) HD1 :: 7.023(D) HE1 :: 10.215(D) HE3 :: 7.610(D) HZ2 :: 7.367(D) HZ3 :: 6.982(D) HH2 :: 7.127(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.595(D) NE1 :: 129.402(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.61 G 0.38 C Shift Assignments>> CB :: 43.620(D) CD1 :: 132.540(D) CD2 :: 132.540(D) CE1 :: 118.939(D) CE2 :: 118.939(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 10.072(D) HA :: 5.334(D) HB2 :: 2.923(D) HB3 :: 2.529(D) HD1 :: 6.731(D) HD2 :: 6.731(D) HE1 :: 6.721(D) HE2 :: 6.721(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.619(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Unknown N Shifts: Duplicate PRTL>> L 0.43 K 0.39 C 0.08 I 0.03 R 0.01 V 0.01 P 0.01 C Shift Assignments>> CG :: 24.739(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.894(D) HA :: 4.677(D) HB2 :: 1.934(D) HB3 :: 1.934(D) HG2 :: 1.388(D) HG3 :: 1.388(D) HD2 :: 1.550(D) HD3 :: 1.550(D) HZ1 :: 7.522(U) HZ2 :: 7.522(U) HZ3 :: 7.522(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.957(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D173 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.891(D) HA :: 4.378(D) HB2 :: 2.851(D) HB3 :: 2.677(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.593(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E174 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> Y 0.11 F 0.11 C 0.11 W 0.1 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.145(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.099(D) HA :: 3.633(D) HB2 :: 2.164(D) HB3 :: 2.164(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 107.850(S) Ave N Shift Values>> N :: 120.67(3.48) 1.R175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 P 0.19 I 0.17 L 0.14 C 0.08 Q 0.06 W 0.03 H 0.03 K 0.02 E 0.02 C Shift Assignments>> CG :: 27.296(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.206(D) HA :: 4.792(D) HB2 :: 1.912(D) HB3 :: 1.750(D) HG2 :: 1.641(D) HG3 :: 1.641(D) HE :: 7.183(D) HH21 :: 6.807(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.709(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E176 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.011(D) HA :: 3.789(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.877(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> CB :: 40.740(D) CG1 :: 26.483 CG2 :: 18.070(D) CD1 :: 14.397(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.160(D) HA :: 4.655(D) HB :: 1.948(D) HG12 :: 1.530(D) HG13 :: 1.530(D) HG21 :: 0.974(D) HG22 :: 0.974(D) HG23 :: 0.974(D) HD11 :: 1.001(D) HD12 :: 1.001(D) HD13 :: 1.001(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.210(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S178 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CB :: 34.179(D) CG1 :: 21.198(D) CG2 :: 21.196(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.384(D) HB :: 2.068(D) HG11 :: 0.965(D) HG12 :: 0.965(D) HG13 :: 0.965(D) HG21 :: 0.966(D) HG22 :: 0.966(D) HG23 :: 0.966(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.871(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D180 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.759(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.028(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E181 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.755(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.598(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.44 K 0.38 C 0.08 I 0.03 R 0.01 V 0.01 C Shift Assignments>> CG :: 24.675(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.311(D) HB2 :: 1.784(D) HB3 :: 1.784(D) HG2 :: 1.457(D) HG3 :: 1.457(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.610(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H183 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D184 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F185 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K186 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D187 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G188 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.188(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.612(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 C 0.34 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> CA :: 61.100 CB :: 37.602(D) CG1 :: 27.519(D) CG2 :: 17.438(D) CD1 :: 12.049(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.874(D) HB :: 1.928(D) HG12 :: 1.540(D) HG13 :: 1.152(D) HG21 :: 0.883(D) HG22 :: 0.883(D) HG23 :: 0.883(D) HD11 :: 0.791(D) HD12 :: 0.791(D) HD13 :: 0.791(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.706(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C190 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.576(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.T191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.8 T 0.17 A 0.01 C Shift Assignments>> CA :: 59.046(D) CB :: 73.864(D) CG2 :: 21.889(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.523(D) HA :: 5.821(D) HB :: 4.221(D) HG21 :: 1.163(D) HG22 :: 1.163(D) HG23 :: 1.163(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.492(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.68 C 0.28 A 0.02 C Shift Assignments>> CA :: 54.923(D) CG :: 27.111(D) CD1 :: 25.706(D) CD2 :: 23.467(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.292(D) HA :: 3.912(D) HB2 :: 1.710(D) HB3 :: 1.710(D) HG :: 0.883(D) HD11 :: 0.394(D) HD12 :: 0.394(D) HD13 :: 0.394(D) HD21 :: 0.283(D) HD22 :: 0.283(D) HD23 :: 0.283(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.998(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.72 G 0.27 C Shift Assignments>> CB :: 43.749 CG :: 27.032(D) CD1 :: 23.475(D) CD2 :: 26.035(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.263(D) HA :: 4.825(D) HG :: 1.231(D) HD11 :: 0.750(D) HD12 :: 0.750(D) HD13 :: 0.750(D) HD21 :: 0.774(D) HD22 :: 0.774(D) HD23 :: 0.774(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.649(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 C 0.35 C Shift Assignments>> CA :: 60.479(D) CB :: 38.410(D) CG1 :: 26.255(D) CG2 :: 18.529(D) CD1 :: 13.232(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.646(D) HA :: 4.241(D) HB :: 2.011(D) HG12 :: 0.928(D) HG13 :: 1.333(D) HG21 :: 0.883(D) HG22 :: 0.883(D) HG23 :: 0.883(D) HD11 :: 0.630(D) HD12 :: 0.630(D) HD13 :: 0.630(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.673(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.85 C 0.14 C Shift Assignments>> CA :: 61.064(D) CB :: 69.638(D) CG2 :: 22.005(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.234(D) HA :: 4.442(D) HB :: 4.090(D) HG21 :: 1.114(D) HG22 :: 1.114(D) HG23 :: 1.114(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.028(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 L 0.19 C 0.13 Q 0.12 H 0.07 W 0.07 K 0.06 E 0.05 I 0.03 HN Overlap>> 1.V153 1.V153 C Shift Assignments>> CA :: 56.469(D) CB :: 27.211(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.704(D) HA :: 3.846(D) HB2 :: 2.022(D) HB3 :: 2.191(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.121(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 F 0.27 W 0.2 H 0.18 HN Overlap>> 1.Q228 1.Q228 C Shift Assignments>> CA :: 59.446(D) CE1 :: 131.649(D) CE2 :: 131.649(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.903(D) HA :: 4.084(D) HB2 :: 3.069(D) HB3 :: 2.845(D) HD1 :: 6.772(D) HD2 :: 6.772(D) HE1 :: 7.354(D) HE2 :: 7.354(D) HZ :: 7.341(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.213(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 T 0.2 S 0.19 I 0.14 P 0.11 C 0.02 HN Overlap>> 1.W170 1.W170 1.E32 1.E32 C Shift Assignments>> CB :: 66.004(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.050(D) HA :: 4.747(D) HB2 :: 3.857(D) HB3 :: 3.857(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 125.595(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.11 I 0.11 Y 0.09 F 0.09 W 0.07 T 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.926(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.456(D) HA :: 3.855(D) HB2 :: 1.798(D) HB3 :: 1.826(D) HG2 :: 1.484(D) HG3 :: 1.484(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.279(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.11 Y 0.11 F 0.11 W 0.09 S 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 HN Overlap>> 1.K215 1.K215 C Shift Assignments>> CA :: 58.241(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.795(D) HA :: 4.109(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.762(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D201 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.864(D) HA :: 4.415(D) HB2 :: 2.968(D) HB3 :: 2.968(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.365(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.12 C 0.02 C Shift Assignments>> CA :: 52.924(D) CB :: 19.242(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.327(D) HA :: 4.420(D) HB1 :: 1.552(D) HB2 :: 1.552(D) HB3 :: 1.552(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.121(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.149 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.507(D) HA2 :: 3.845(D) HA3 :: 3.845(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.964(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.43 Y 0.34 C 0.21 C Shift Assignments>> CA :: 57.713(D) CB :: 39.445 CD1 :: 131.452(D) CD2 :: 131.452(D) CE1 :: 131.484(D) CE2 :: 131.484(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.046(D) HA :: 5.120(D) HB2 :: 2.820(D) HB3 :: 3.020(D) HD1 :: 7.181(D) HD2 :: 7.181(D) HE1 :: 7.351(D) HE2 :: 7.351(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.096(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y205 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.08 H 0.08 Q 0.08 C 0.08 F 0.07 Y 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.242(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.475(D) HA :: 5.539(D) HD1 :: 7.109(D) HD2 :: 7.109(D) HE1 :: 6.823(D) HE2 :: 6.823(D) HH :: -0.788(A) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.174(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.13 A 0.1 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 C 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> CA :: 54.322(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.200(D) HA :: 5.555(D) HB2 :: 2.183(D) HB3 :: 2.193(D) HG2 :: 2.510(D) HG3 :: 2.510(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.075(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V207 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.63 V 0.36 C Shift Assignments>> CA :: 59.428(D) CB :: 34.221 CG1 :: 20.016(D) CG2 :: 20.568(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.563(D) HA :: 5.270(D) HG11 :: 0.440(D) HG12 :: 0.440(D) HG13 :: 0.440(D) HG21 :: -0.262(S) HG22 :: -0.262(S) HG23 :: -0.262(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.907(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CB :: 41.379 CG1 :: 28.248(D) CG2 :: 17.827(D) CD1 :: 13.392(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.872(D) HA :: 5.097(D) HB :: 1.920(D) HG12 :: 1.674(D) HG13 :: 1.168(D) HG21 :: 0.968(D) HG22 :: 0.968(D) HG23 :: 0.968(D) HD11 :: 0.764(D) HD12 :: 0.764(D) HD13 :: 0.764(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.175(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L209 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.98 V 0.01 C Shift Assignments>> CD1 :: 24.325(D) CD2 :: 24.291(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.442(D) HA :: 5.321(D) HB2 :: 1.707(D) HB3 :: 1.707(D) HG :: 1.118(D) HD11 :: -0.459(S) HD12 :: -0.459(S) HD13 :: -0.459(S) HD21 :: 0.383(D) HD22 :: 0.383(D) HD23 :: 0.383(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.036(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 M 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 HN Overlap>> 1.K156 1.K156 C Shift Assignments>> CA :: 56.373 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.715(D) HA :: 5.362(D) HB2 :: 1.852(D) HB3 :: 1.852(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.618(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D211 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.924(D) HA :: 4.768(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.635(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 D 0.19 Y 0.18 I 0.11 N 0.09 L 0.07 C 0.05 K 0.01 C Shift Assignments>> CB :: 40.257(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.955(D) HA :: 4.350(D) HB2 :: 2.976(D) HB3 :: 2.976(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.089(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.408(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.445(D) HA :: 4.278(D) HB2 :: 1.930(D) HB3 :: 1.844(D) HG2 :: 1.649(D) HG3 :: 1.649(D) HD2 :: 3.189(D) HD3 :: 3.189(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.310(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.144(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.506(D) HA2 :: 3.863(D) HA3 :: 4.469(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.708(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.27 C 0.22 E 0.17 M 0.1 Y 0.08 F 0.05 K 0.02 D 0.01 Q 0.01 HN Overlap>> 1.K200 1.K200 C Shift Assignments>> CA :: 54.208(D) CB :: 36.655(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.873(D) HA :: 5.656(D) HB2 :: 1.860(D) HB3 :: 1.861(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.830(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 52.661(D) CB :: 45.571(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.056(D) HA :: 5.342(D) HB2 :: 3.129(D) HB3 :: 3.173(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.716(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.26 C 0.23 Y 0.11 N 0.11 M 0.1 F 0.07 K 0.03 I 0.02 D 0.01 Q 0.01 C Shift Assignments>> CA :: 55.549(D) CB :: 36.689(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.643(D) HA :: 5.710(D) HB2 :: 1.349(D) HB3 :: 1.781(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.147(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.818(D) CB :: 64.137(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.391(D) HA :: 4.531(D) HB2 :: 3.897(D) HB3 :: 3.897(D) HG :: 5.549(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.234(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 R 0.2 Q 0.13 C 0.12 H 0.09 K 0.07 W 0.07 E 0.04 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.747(D) CG :: 27.502(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.344(D) HA :: 5.549(D) HB2 :: 1.828(D) HB3 :: 1.828(D) HG2 :: 1.624(D) HG3 :: 1.693(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.715(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.61 G 0.21 L 0.13 A 0.03 C Shift Assignments>> CA :: 54.714(D) CB :: 47.362(D) CG :: 27.135(D) CD1 :: 27.117(D) CD2 :: 23.851(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.587(D) HA :: 4.679(D) HB2 :: 1.770(D) HB3 :: 1.520(D) HG :: 1.512(D) HD11 :: 0.891(D) HD12 :: 0.891(D) HD13 :: 0.891(D) HD21 :: 1.080(D) HD22 :: 1.080(D) HD23 :: 1.080(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.272(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K221 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.832(D) HB2 :: 1.788(D) HB3 :: 1.788(D) HE2 :: 2.869(D) HE3 :: 2.869(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.019(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.72 C 0.19 G 0.05 A 0.01 R 0.01 C Shift Assignments>> CA :: 53.623(D) CB :: 42.927(D) CG :: 27.044(D) CD1 :: 24.133(D) CD2 :: 24.178(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.859(D) HA :: 4.490(D) HB2 :: 1.531(D) HB3 :: 1.629(D) HG :: 1.209(D) HD11 :: 0.110(D) HD12 :: 0.110(D) HD13 :: 0.110(D) HD21 :: 0.106(D) HD22 :: 0.106(D) HD23 :: 0.106(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.844(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 V 0.42 C Shift Assignments>> CA :: 60.506(D) CB :: 33.991(D) CG1 :: 19.651(D) CG2 :: 21.468(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.859(D) HA :: 4.421(D) HB :: 2.154(D) HG11 :: 0.822(D) HG12 :: 0.822(D) HG13 :: 0.822(D) HG21 :: 0.860(D) HG22 :: 0.860(D) HG23 :: 0.860(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.930(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 L 0.2 F 0.15 Y 0.12 K 0.1 C 0.07 N 0.06 I 0.01 HN Overlap>> 1.R128 1.R128 C Shift Assignments>> CA :: 55.650(D) CB :: 40.874(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.537(D) HA :: 4.388(D) HB2 :: 2.586(D) HB3 :: 2.586(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.660(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.38 C 0.35 I 0.11 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> CA :: 58.087(D) CB :: 29.372(D) CG :: 36.432(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.618(D) HA :: 4.117(D) HB2 :: 2.022(D) HB3 :: 1.865(D) HG2 :: 2.257(D) HG3 :: 2.259(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.911(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.21 C 0.01 C Shift Assignments>> CA :: 53.175(D) CB :: 18.530(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.892(D) HA :: 4.130(D) HB1 :: 1.082(D) HB2 :: 1.082(D) HB3 :: 1.082(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.882(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.41 F 0.36 C 0.21 HN Overlap>> 1.I113 1.I113 C Shift Assignments>> CA :: 57.514(D) CB :: 39.174(D) CE1 :: 131.597(D) CE2 :: 131.597(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.680(D) HA :: 4.551(D) HB2 :: 3.154(D) HB3 :: 2.851(D) HD1 :: 7.038(D) HD2 :: 7.038(D) HE1 :: 6.806(D) HE2 :: 6.806(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.437(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.29 K 0.27 C 0.25 E 0.07 M 0.05 R 0.03 HN Overlap>> 1.F197 1.F197 C Shift Assignments>> CA :: 56.643(D) CB :: 29.366(D) CG :: 33.763(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.928(D) HA :: 4.216(D) HB2 :: 2.071(D) HB3 :: 2.023(D) HG2 :: 2.333(D) HG3 :: 2.331(D) HE21 :: 7.583(D) HE22 :: 6.853(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.173(D) NE2 :: 112.354(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.19 F 0.12 N 0.12 Y 0.09 K 0.06 C 0.06 C Shift Assignments>> CA :: 54.707(D) CB :: 40.745(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.360(D) HA :: 4.597(D) HB2 :: 2.614(D) HB3 :: 2.766(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.811(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 C 0.26 R 0.06 A 0.02 G 0.01 C Shift Assignments>> CA :: 55.134(D) CB :: 42.461(D) CG :: 26.988(D) CD1 :: 25.373(D) CD2 :: 23.328(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.981(D) HA :: 4.386(D) HB2 :: 1.665(D) HB3 :: 1.671(D) HG :: 1.662(D) HD11 :: 0.888(D) HD12 :: 0.888(D) HD13 :: 0.888(D) HD21 :: 0.844(D) HD22 :: 0.844(D) HD23 :: 0.844(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.232(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 C 0.46 A 0.04 C Shift Assignments>> CA :: 56.935(D) CB :: 33.920(D) CG :: 32.399(D) CE :: 16.969(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.774(D) HA :: 4.286(D) HB2 :: 2.108(D) HB3 :: 1.985(D) HG2 :: 2.511(D) HG3 :: 2.568(D) HE1 :: 2.056(D) HE2 :: 2.056(D) HE3 :: 2.056(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.345(D) Ave N Shift Values>> N :: 120.09(3.57) ########################################################################### Overall Results: #Consistent: 13 #Clerical: 208 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 181 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 50 Shift Relative Order (SRO) Results: #Consistent: 231 #Suspicious: 0 C Shift Results: #Consistent: 50 #Duplicate: 451 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 21 #Duplicate:1402 #Unknown: 9 #Suspicious: 19 #Anomalous: 1 N Shift Results: #Consistent: 0 #Duplicate: 223 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.M4 HA = 4.332(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.7091e-01 1.E5 H = 8.290(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4595e-01 1.E5 HA = 4.085(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.8736e-01 1.E5 HB2 = 2.075(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.9339e-01 1.E5 HB3 = 2.074(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.1495e-01 1.E5 HG2 = 2.317(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.2291e-01 1.E5 HG3 = 2.317(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.6071e-01 1.E5 N = 121.112(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9893e-01 1.E6 CA = 58.721(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0264e-01 1.E6 H = 8.370(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4595e-01 1.E6 HA = 4.066(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.5359e-01 1.E6 HB2 = 2.073(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.0075e-01 1.E6 HB3 = 2.075(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.1171e-01 1.E6 HG2 = 2.305(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.6763e-01 1.E6 HG3 = 2.325(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.3317e-01 1.E6 N = 119.980(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4283e-01 1.E7 CA = 58.517(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6683e-01 1.E7 CB = 29.226(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4852e-01 1.E7 H = 8.278(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2977e-01 1.E7 HA = 4.201(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0487e-01 1.E7 HB2 = 2.055(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.6763e-01 1.E7 HB3 = 2.055(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.7748e-01 1.E7 HG2 = 2.247(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.1279e-01 1.E7 HG3 = 2.247(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.8912e-01 1.E7 N = 121.146(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9120e-01 1.M8 H = 8.078(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.6164e-01 1.M8 HA = 4.247(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.3417e-01 1.M8 HB2 = 2.134(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.5969e-01 1.M8 HB3 = 2.133(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.7406e-01 1.M8 HG2 = 2.679(D), Expected = 2.42, Std = 0.3500, ChiSquare = 4.5930e-01 1.M8 HG3 = 2.680(D), Expected = 2.39, Std = 0.3800, ChiSquare = 4.4537e-01 1.M8 N = 118.711(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.9929e-01 1.K9 CA = 59.115(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2507e-01 1.K9 CB = 32.390(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2220e-01 1.K9 H = 7.912(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.4313e-01 1.K9 HA = 4.005(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.4699e-01 1.K9 HB2 = 1.898(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.3693e-01 1.K9 HB3 = 1.898(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.5842e-01 1.K9 HG2 = 1.421(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.4449e-01 1.K9 HG3 = 1.421(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.9983e-01 1.K9 HD2 = 1.593(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.3841e-01 1.K9 HD3 = 1.593(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.7462e-01 1.K9 HE2 = 2.952(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.6625e-01 1.K9 HE3 = 2.952(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.3367e-01 1.K9 N = 119.472(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7553e-01 1.R10 CA = 58.791(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.8163e-01 1.R10 H = 7.911(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.8965e-01 1.R10 HA = 4.099(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.6214e-01 1.R10 HB2 = 1.900(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.8371e-01 1.R10 HB3 = 1.912(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.8723e-01 1.R10 HD2 = 3.178(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.0904e-01 1.R10 HD3 = 3.178(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.6418e-01 1.R10 HH12 = 6.795(D), Expected = 6.80, Std = 0.3300, ChiSquare = 9.8791e-01 1.R10 N = 120.795(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.9892e-01 1.L11 CB = 41.979(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6024e-01 1.L11 CD1 = 23.233(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.4968e-01 1.L11 CD2 = 25.125(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.2716e-01 1.L11 H = 8.058(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9131e-01 1.L11 HA = 4.161(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.3514e-01 1.L11 HB2 = 1.764(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.5059e-01 1.L11 HB3 = 1.824(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.9842e-01 1.L11 HG = 1.580(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.3201e-01 1.L11 HD11 = 0.867(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L11 HD12 = 0.867(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L11 HD13 = 0.867(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L11 HD21 = 0.908(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3935e-01 1.L11 HD22 = 0.908(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3935e-01 1.L11 HD23 = 0.908(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3935e-01 1.L11 N = 120.028(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3854e-01 1.L12 CA = 56.882(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5352e-01 1.L12 CB = 41.901(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2778e-01 1.L12 CD1 = 23.660(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.0499e-01 1.L12 CD2 = 24.696(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.0395e-01 1.L12 H = 8.072(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0795e-01 1.L12 HA = 4.185(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.7393e-01 1.L12 HB2 = 1.779(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.1915e-01 1.L12 HB3 = 1.779(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.7187e-01 1.L12 HD11 = 0.863(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8653e-01 1.L12 HD12 = 0.863(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8653e-01 1.L12 HD13 = 0.863(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8653e-01 1.L12 HD21 = 0.884(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9539e-01 1.L12 HD22 = 0.884(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9539e-01 1.L12 HD23 = 0.884(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9539e-01 1.L12 N = 120.877(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0100e-01 1.A13 CA = 53.806(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3660e-01 1.A13 CB = 18.266(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8433e-01 1.A13 H = 7.781(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8497e-01 1.A13 HA = 4.224(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3479e-01 1.A13 HB1 = 1.470(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.4441e-01 1.A13 HB2 = 1.470(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.4441e-01 1.A13 HB3 = 1.470(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.4441e-01 1.A13 N = 121.973(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2253e-01 1.L14 CA = 56.282(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5595e-01 1.L14 CB = 42.252(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7539e-01 1.L14 CG = 27.031(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.1950e-01 1.L14 CD1 = 23.297(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.7080e-01 1.L14 CD2 = 25.175(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.0812e-01 1.L14 H = 7.816(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2418e-01 1.L14 HA = 4.260(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9842e-01 1.L14 HB2 = 1.612(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.9531e-01 1.L14 HB3 = 1.619(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.8332e-01 1.L14 HG = 1.602(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.8041e-01 1.L14 HD11 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L14 HD12 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L14 HD13 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L14 HD21 = 0.920(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L14 HD22 = 0.920(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L14 HD23 = 0.920(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L14 N = 119.047(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7074e-01 1.S15 CA = 59.343(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.6344e-01 1.S15 CB = 63.366(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6934e-01 1.S15 H = 7.980(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.1112e-01 1.S15 HA = 4.408(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.5715e-01 1.S15 HB2 = 4.077(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.3070e-01 1.S15 HB3 = 3.939(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.4168e-01 1.S15 N = 114.754(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.6463e-01 1.Q16 CA = 56.212(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6714e-01 1.Q16 H = 8.096(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.3354e-01 1.Q16 HA = 4.301(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4383e-01 1.Q16 HB2 = 2.030(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.3624e-01 1.Q16 HB3 = 2.030(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.7151e-01 1.Q16 HE21 = 7.486(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.8461e-01 1.Q16 HE22 = 6.867(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.2804e-01 1.Q16 N = 121.093(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3825e-01 1.Q16 NE2 = 112.345(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.8242e-01 1.E17 CA = 56.991(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.7492e-01 1.E17 H = 8.109(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.0798e-01 1.E17 HA = 4.147(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.0164e-01 1.E17 N = 120.526(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6699e-01 1.H18 H = 8.179(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.2852e-01 1.H18 HD2 = 7.090(D), Expected = 7.00, Std = 0.4300, ChiSquare = 8.3421e-01 1.H18 N = 119.742(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.8963e-01 1.K19 CA = 56.077(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9150e-01 1.K19 HA = 4.199(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7181e-01 1.K19 HG2 = 1.500(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.1707e-01 1.K19 HG3 = 1.500(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.9216e-01 1.K19 HD2 = 1.595(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.4564e-01 1.K19 HD3 = 1.595(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.8187e-01 1.F20 CA = 55.335(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.8548e-01 1.F20 CB = 38.827(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.7790e-01 1.F20 H = 8.235(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.6217e-01 1.F20 HA = 4.925(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.0478e-01 1.F20 HB2 = 2.926(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.4148e-01 1.F20 HB3 = 3.278(D), Expected = 2.93, Std = 0.4000, ChiSquare = 3.8430e-01 1.F20 HD1 = 7.324(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.9443e-01 1.F20 HD2 = 7.324(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.9443e-01 1.F20 N = 121.256(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.4710e-01 1.P21 CA = 63.050(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5385e-01 1.P21 CB = 32.127(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.1441e-01 1.P21 CG = 27.399(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.3360e-01 1.P21 CD = 50.335(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.8791e-01 1.P21 HA = 4.586(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.7300e-01 1.P21 HB2 = 2.368(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.1059e-01 1.P21 HB3 = 1.961(D), Expected = 2.00, Std = 0.3600, ChiSquare = 9.1373e-01 1.P21 HG2 = 1.968(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.0244e-01 1.P21 HG3 = 1.963(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.4860e-01 1.P21 HD2 = 3.648(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.9544e-01 1.P21 HD3 = 3.862(D), Expected = 3.61, Std = 0.3900, ChiSquare = 5.1818e-01 1.T22 CA = 60.239(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.4435e-01 1.T22 CB = 71.449(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.9161e-01 1.T22 CG2 = 21.567(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.8778e-01 1.T22 H = 8.277(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5241e-01 1.T22 HA = 5.209(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.1866e-01 1.T22 HB = 4.173(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.9275e-01 1.T22 HG21 = 1.254(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2014e-01 1.T22 HG22 = 1.254(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2014e-01 1.T22 HG23 = 1.254(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2014e-01 1.T22 N = 114.294(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1262e-01 1.V23 CA = 60.043(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.9222e-01 1.V23 CB = 33.325(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3959e-01 1.V23 CG1 = 20.599(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.1237e-01 1.V23 CG2 = 20.878(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.0656e-01 1.V23 H = 7.631(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.2532e-01 1.V23 HA = 4.629(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.4911e-01 1.V23 HB = 1.713(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.0407e-01 1.V23 HG11 = 0.902(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8184e-01 1.V23 HG12 = 0.902(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8184e-01 1.V23 HG13 = 0.902(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8184e-01 1.V23 HG21 = 0.747(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.4987e-01 1.V23 HG22 = 0.747(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.4987e-01 1.V23 HG23 = 0.747(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.4987e-01 1.V23 N = 125.283(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6148e-01 1.P24 CA = 62.587(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.2497e-01 1.P24 CD = 51.190(D), Expected = 50.32, Std = 0.9900, ChiSquare = 3.7952e-01 1.P24 HA = 4.494(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.7576e-01 1.P24 HG2 = 1.984(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.6171e-01 1.P24 HG3 = 1.927(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.3479e-01 1.P24 HD2 = 3.103(D), Expected = 3.65, Std = 0.3500, ChiSquare = 1.1809e-01 1.P24 HD3 = 3.412(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.1167e-01 1.T25 CA = 61.742(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5358e-01 1.T25 CB = 69.710(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.9021e-01 1.T25 CG2 = 22.714(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.9434e-01 1.T25 H = 8.693(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.6500e-01 1.T25 HA = 4.261(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.7845e-01 1.T25 HB = 4.010(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.2778e-01 1.T25 HG1 = 5.117(D), Expected = 4.92, Std = 1.5800, ChiSquare = 9.0077e-01 1.T25 HG21 = 0.927(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.5440e-01 1.T25 HG22 = 0.927(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.5440e-01 1.T25 HG23 = 0.927(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.5440e-01 1.T25 N = 117.670(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.3572e-01 1.K26 CA = 57.056(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.6157e-01 1.K26 CB = 33.921(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.2517e-01 1.K26 CD = 29.039(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.4169e-01 1.K26 H = 8.784(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2217e-01 1.K26 HA = 4.397(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.7286e-01 1.K26 HB2 = 1.632(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.5385e-01 1.K26 HB3 = 1.370(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.7057e-01 1.K26 HG2 = 1.355(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.5399e-01 1.K26 HG3 = 1.355(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.8575e-01 1.K26 HD2 = 1.553(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.9556e-01 1.K26 HD3 = 1.538(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.7808e-01 1.K26 N = 125.918(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.9662e-01 1.S27 CA = 57.847(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.7322e-01 1.S27 CB = 64.238(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6727e-01 1.S27 H = 8.170(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.5210e-01 1.S27 HA = 4.557(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.4735e-01 1.S27 HB2 = 3.660(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.7886e-01 1.S27 HB3 = 3.660(D), Expected = 3.85, Std = 0.2700, ChiSquare = 4.8162e-01 1.S27 N = 113.067(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6136e-01 1.E28 H = 8.360(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5945e-01 1.E28 HB2 = 2.140(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.6771e-01 1.E28 HB3 = 2.140(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.1429e-01 1.E28 N = 122.561(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8686e-01 1.L29 CG = 26.086(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.2810e-01 1.L29 CD1 = 26.012(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.1646e-01 1.L29 CD2 = 23.327(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.7062e-01 1.L29 H = 8.687(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8201e-01 1.L29 HA = 3.737(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.1482e-01 1.L29 HG = 1.030(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.4579e-01 1.L29 HD11 = 0.321(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.2549e-01 1.L29 HD12 = 0.321(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.2549e-01 1.L29 HD13 = 0.321(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.2549e-01 1.L29 HD21 = -0.118(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.4541e-03 1.L29 HD22 = -0.118(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.4541e-03 1.L29 HD23 = -0.118(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.4541e-03 1.L29 N = 122.601(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4931e-01 1.A30 CA = 53.029(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.5529e-01 1.A30 CB = 19.511(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8426e-01 1.A30 H = 8.628(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7564e-01 1.A30 HA = 4.353(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.3260e-01 1.A30 HB1 = 1.169(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8633e-01 1.A30 HB2 = 1.169(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8633e-01 1.A30 HB3 = 1.169(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8633e-01 1.A30 N = 128.991(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.0365e-01 1.V31 CA = 57.983(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1505e-01 1.V31 CB = 35.132(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7963e-01 1.V31 CG1 = 21.388(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.4021e-01 1.V31 CG2 = 20.257(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.2026e-01 1.V31 H = 8.032(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0018e-01 1.V31 HA = 5.502(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.3693e-02 1.V31 HB = 1.189(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.3441e-02 1.V31 HG11 = -0.037(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5417e-04 1.V31 HG12 = -0.037(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5417e-04 1.V31 HG13 = -0.037(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5417e-04 1.V31 HG21 = 0.567(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.0533e-01 1.V31 HG22 = 0.567(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.0533e-01 1.V31 HG23 = 0.567(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.0533e-01 1.V31 N = 115.535(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.1699e-01 1.E32 H = 9.001(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5542e-01 1.E32 HA = 4.688(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.8539e-01 1.E32 HB2 = 2.059(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.5267e-01 1.E32 HB3 = 2.067(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.3779e-01 1.E32 N = 125.689(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4923e-01 1.I33 CB = 36.705(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.4061e-01 1.I33 CG1 = 27.363(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.3636e-01 1.I33 CG2 = 18.226(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.0882e-01 1.I33 CD1 = 12.572(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.0741e-01 1.I33 H = 8.557(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8375e-01 1.I33 HA = 4.152(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.6012e-01 1.I33 HB = 1.888(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.0958e-01 1.I33 HG12 = 1.209(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.5912e-01 1.I33 HG13 = 1.332(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.2909e-01 1.I33 HG21 = 0.971(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5661e-01 1.I33 HG22 = 0.971(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5661e-01 1.I33 HG23 = 0.971(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5661e-01 1.I33 HD11 = 0.753(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I33 HD12 = 0.753(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I33 HD13 = 0.753(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I33 N = 121.512(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9031e-01 1.L34 CA = 53.550(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3113e-01 1.L34 CB = 42.459(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3683e-01 1.L34 CG = 27.485(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.2158e-01 1.L34 CD1 = 22.268(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.2304e-01 1.L34 CD2 = 26.159(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.1476e-01 1.L34 H = 9.114(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.7383e-01 1.L34 HA = 4.572(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9184e-01 1.L34 HB2 = 1.659(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.8541e-01 1.L34 HB3 = 1.668(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.8099e-01 1.L34 HG = 1.567(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.6287e-01 1.L34 HD11 = 0.750(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0000e+00 1.L34 HD12 = 0.750(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0000e+00 1.L34 HD13 = 0.750(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0000e+00 1.L34 HD21 = 0.938(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7323e-01 1.L34 HD22 = 0.938(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7323e-01 1.L34 HD23 = 0.938(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7323e-01 1.L34 N = 128.967(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8408e-02 1.E35 CB = 29.211(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4226e-01 1.E35 CG = 36.139(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.8056e-01 1.E35 H = 8.078(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6929e-01 1.E35 HA = 4.384(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.4380e-01 1.E35 HB2 = 1.684(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.0960e-01 1.E35 HB3 = 1.681(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.7912e-01 1.E35 HG2 = 2.234(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.6389e-01 1.E35 HG3 = 2.255(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.8187e-01 1.E35 N = 118.372(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.0903e-01 1.K36 CG = 24.392(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.5942e-01 1.K36 CD = 29.188(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.3280e-01 1.K36 CE = 41.408(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.5666e-01 1.K36 HA = 4.811(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1887e-01 1.K36 HB2 = 1.896(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.4265e-01 1.K36 HB3 = 1.896(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.6341e-01 1.K36 HG2 = -0.313(S), Expected = 1.37, Std = 0.2600, ChiSquare = 9.6027e-11 1.K36 HG3 = 0.472(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.7144e-03 1.K36 HD2 = 0.753(S), Expected = 1.61, Std = 0.2200, ChiSquare = 9.8015e-05 1.K36 HD3 = 0.753(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.1812e-04 1.K36 HE2 = 2.268(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.0008e-04 1.K36 HE3 = 2.099(S), Expected = 2.91, Std = 0.2000, ChiSquare = 5.0134e-05 1.G37 H = 8.348(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7791e-01 1.G37 HA2 = 3.377(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.0900e-01 1.G37 HA3 = 4.226(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.7827e-01 1.G37 N = 107.119(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0978e-01 1.Q38 H = 7.404(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6665e-01 1.Q38 HA = 4.244(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.5288e-01 1.Q38 HB2 = 2.153(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.8034e-01 1.Q38 HB3 = 2.033(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.6297e-01 1.Q38 HG2 = 2.305(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.5570e-01 1.Q38 HG3 = 2.305(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.5875e-01 1.Q38 HE21 = 7.572(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.6065e-01 1.Q38 HE22 = 6.478(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.1802e-01 1.Q38 N = 119.546(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.2387e-01 1.Q38 NE2 = 112.078(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.0375e-01 1.V39 CA = 61.373(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9612e-01 1.V39 CB = 33.788(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.5448e-01 1.V39 CG1 = 22.628(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.0273e-01 1.V39 CG2 = 20.592(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.6850e-01 1.V39 H = 8.755(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8766e-01 1.V39 HA = 4.457(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.4527e-01 1.V39 HB = 1.911(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.2928e-01 1.V39 HG11 = 0.561(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.0085e-01 1.V39 HG12 = 0.561(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.0085e-01 1.V39 HG13 = 0.561(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.0085e-01 1.V39 HG21 = 0.767(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0618e-01 1.V39 HG22 = 0.767(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0618e-01 1.V39 HG23 = 0.767(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0618e-01 1.V39 N = 122.746(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2353e-01 1.R40 CB = 31.287(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.4839e-01 1.R40 CG = 27.311(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.3292e-01 1.R40 CD = 43.574(D), Expected = 43.16, Std = 0.8800, ChiSquare = 6.3803e-01 1.R40 H = 8.920(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.6496e-01 1.R40 HA = 4.155(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.5260e-01 1.R40 HB2 = 1.788(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.9409e-01 1.R40 HB3 = 1.920(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.6771e-01 1.R40 HG2 = 1.704(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.1969e-01 1.R40 HG3 = 1.589(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.6582e-01 1.R40 HD2 = 3.071(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.3822e-01 1.R40 HD3 = 3.071(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.1119e-01 1.R40 HE = 7.190(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.3888e-01 1.R40 HH12 = 6.803(D), Expected = 6.80, Std = 0.3300, ChiSquare = 9.9275e-01 1.R40 N = 126.947(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.4844e-02 1.F41 CA = 55.704(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5522e-01 1.F41 CD1 = 132.083(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.6991e-01 1.F41 CD2 = 132.083(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.8587e-01 1.F41 H = 9.709(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.0984e-02 1.F41 HA = 5.576(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.6985e-02 1.F41 HB2 = 3.158(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.6936e-01 1.F41 HB3 = 3.353(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.9028e-01 1.F41 HD1 = 6.787(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.7851e-01 1.F41 HD2 = 6.787(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.7851e-01 1.F41 HE1 = 7.077(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.9228e-01 1.F41 HE2 = 7.077(D), Expected = 7.08, Std = 0.3200, ChiSquare = 9.9252e-01 1.F41 N = 128.189(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.4107e-02 1.W42 CA = 55.831(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.7838e-01 1.W42 CD1 = 125.074(D), Expected = 126.51, Std = 1.8300, ChiSquare = 4.3263e-01 1.W42 CZ2 = 114.504(D), Expected = 114.26, Std = 1.1200, ChiSquare = 8.2754e-01 1.W42 CH2 = 124.097(D), Expected = 123.86, Std = 1.4200, ChiSquare = 8.6745e-01 1.W42 H = 9.516(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.2069e-01 1.W42 HA = 6.171(D), Expected = 4.68, Std = 0.5300, ChiSquare = 4.9050e-03 1.W42 HD1 = 6.737(D), Expected = 7.14, Std = 0.3600, ChiSquare = 2.6295e-01 1.W42 HE1 = 10.167(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.9513e-01 1.W42 HZ2 = 7.383(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.5495e-01 1.W42 HZ3 = 6.840(D), Expected = 6.86, Std = 0.4000, ChiSquare = 9.6012e-01 1.W42 HH2 = 7.032(D), Expected = 6.98, Std = 0.3900, ChiSquare = 8.9393e-01 1.W42 N = 120.420(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.6308e-01 1.W42 NE1 = 129.872(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.9362e-01 1.M43 CE = 17.622(D), Expected = 17.07, Std = 1.5800, ChiSquare = 7.2681e-01 1.M43 H = 9.134(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.4521e-01 1.M43 HA = 4.079(D), Expected = 4.41, Std = 0.4800, ChiSquare = 4.9046e-01 1.M43 HB2 = 2.067(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.1334e-01 1.M43 HB3 = 2.073(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.0714e-01 1.M43 HG2 = 2.511(D), Expected = 2.42, Std = 0.3500, ChiSquare = 7.9486e-01 1.M43 HG3 = 2.125(D), Expected = 2.39, Std = 0.3800, ChiSquare = 4.8557e-01 1.M43 HE1 = 1.845(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.2207e-01 1.M43 HE2 = 1.845(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.2207e-01 1.M43 HE3 = 1.845(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.2207e-01 1.M43 N = 116.348(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.9456e-01 1.Q44 CA = 54.828(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1563e-01 1.Q44 H = 8.411(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.4614e-01 1.Q44 HA = 5.372(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2261e-02 1.Q44 HG2 = 2.313(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.7932e-01 1.Q44 HG3 = 2.405(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.9170e-01 1.Q44 HE21 = 7.902(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.4126e-01 1.Q44 HE22 = 6.977(D), Expected = 7.02, Std = 0.4400, ChiSquare = 9.2215e-01 1.Q44 N = 119.502(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1417e-01 1.Q44 NE2 = 110.460(D), Expected = 111.87, Std = 1.7200, ChiSquare = 4.1235e-01 1.A45 CA = 51.017(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8362e-01 1.A45 CB = 20.243(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0046e-01 1.A45 H = 9.533(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6306e-02 1.A45 HA = 4.140(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.8506e-01 1.A45 HB1 = 1.315(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9292e-01 1.A45 HB2 = 1.315(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9292e-01 1.A45 HB3 = 1.315(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9292e-01 1.A45 N = 132.825(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.7192e-03 1.E46 CA = 58.684(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1399e-01 1.E46 CB = 30.565(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4694e-01 1.E46 CG = 36.314(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.6389e-01 1.E46 H = 8.095(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9041e-01 1.E46 HA = 3.952(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.6733e-01 1.E46 HB2 = 1.792(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.7761e-01 1.E46 HB3 = 1.920(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6086e-01 1.E46 HG2 = 2.111(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.4896e-01 1.E46 HG3 = 2.168(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.0935e-01 1.E46 N = 119.058(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4321e-01 1.K47 CA = 56.073(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9016e-01 1.K47 CB = 34.068(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.7277e-01 1.K47 CG = 24.453(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.9896e-01 1.K47 CD = 29.063(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.2402e-01 1.K47 CE = 41.976(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.1647e-01 1.K47 H = 7.639(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5844e-01 1.K47 HA = 4.122(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.3660e-01 1.K47 HB2 = 1.738(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.6658e-01 1.K47 HB3 = 1.740(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.0000e+00 1.K47 HG2 = 1.359(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.6625e-01 1.K47 HG3 = 1.304(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.6951e-01 1.K47 HD2 = 1.626(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.4202e-01 1.K47 HD3 = 1.668(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.5725e-01 1.K47 HE2 = 2.949(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7869e-01 1.K47 HE3 = 2.971(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.6037e-01 1.K47 N = 114.468(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0830e-02 1.L48 CA = 53.551(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3137e-01 1.L48 CB = 44.992(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.5370e-01 1.L48 CG = 26.454(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.6695e-01 1.L48 CD1 = 23.674(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.1063e-01 1.L48 CD2 = 25.935(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.6751e-01 1.L48 H = 8.763(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1222e-01 1.L48 HA = 4.576(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.8597e-01 1.L48 HB2 = 1.665(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.7149e-01 1.L48 HB3 = 1.306(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.5221e-01 1.L48 HG = 1.558(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.8435e-01 1.L48 HD11 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 1.L48 HD12 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 1.L48 HD13 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 1.L48 HD21 = 0.671(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3878e-01 1.L48 HD22 = 0.671(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3878e-01 1.L48 HD23 = 0.671(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3878e-01 1.L48 N = 124.288(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3357e-01 1.S49 H = 9.520(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.5580e-02 1.S49 HB2 = 3.858(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.2988e-01 1.S49 HB3 = 3.858(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7636e-01 1.S49 N = 120.333(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.4956e-01 1.S50 H = 8.664(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1515e-01 1.S50 N = 117.469(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3553e-01 1.N51 H = 8.335(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.9367e-01 1.N51 HA = 4.804(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.0973e-01 1.N51 HB2 = 2.922(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.1788e-01 1.N51 HB3 = 2.562(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.6888e-01 1.N51 HD21 = 7.621(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.7236e-01 1.N51 HD22 = 7.003(D), Expected = 7.14, Std = 0.4900, ChiSquare = 7.7979e-01 1.N51 N = 117.316(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.8879e-01 1.N51 ND2 = 114.191(D), Expected = 112.75, Std = 2.2300, ChiSquare = 5.1816e-01 1.A52 CA = 53.395(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9753e-01 1.A52 CB = 19.665(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.2040e-01 1.A52 H = 7.324(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4429e-01 1.A52 HA = 4.569(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.8251e-01 1.A52 HB1 = 1.313(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8684e-01 1.A52 HB2 = 1.313(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8684e-01 1.A52 HB3 = 1.313(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8684e-01 1.A52 N = 123.916(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4634e-01 1.K53 CA = 54.552(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7571e-01 1.K53 CB = 35.506(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2705e-01 1.K53 H = 9.234(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1859e-02 1.K53 HA = 4.759(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.6641e-01 1.K53 HB2 = 1.877(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.9802e-01 1.K53 HB3 = 1.810(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.9544e-01 1.K53 HG2 = 1.460(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.2923e-01 1.K53 HG3 = 1.460(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.9442e-01 1.K53 HD2 = 1.673(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.7460e-01 1.K53 HD3 = 1.674(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.3660e-01 1.K53 N = 123.499(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1595e-01 1.V54 CA = 60.296(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4300e-01 1.V54 CB = 34.294(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8226e-01 1.V54 CG1 = 21.614(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.2735e-01 1.V54 CG2 = 20.298(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.3745e-01 1.V54 H = 8.576(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6948e-01 1.V54 HA = 4.907(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.1638e-01 1.V54 HB = 1.647(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.9805e-01 1.V54 HG11 = 0.689(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8761e-01 1.V54 HG12 = 0.689(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8761e-01 1.V54 HG13 = 0.689(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8761e-01 1.V54 HG21 = 0.111(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3866e-02 1.V54 HG22 = 0.111(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3866e-02 1.V54 HG23 = 0.111(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3866e-02 1.V54 N = 124.860(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1257e-01 1.S55 CA = 56.967(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9707e-01 1.S55 CB = 64.921(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.4879e-01 1.S55 H = 9.036(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.0007e-01 1.S55 HA = 4.856(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.4722e-01 1.S55 HB2 = 3.526(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.5678e-01 1.S55 HB3 = 3.527(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.3158e-01 1.S55 N = 122.749(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.6094e-02 1.Y56 CB = 39.574(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.0639e-01 1.Y56 CD1 = 133.807(D), Expected = 132.77, Std = 1.1700, ChiSquare = 3.7544e-01 1.Y56 CD2 = 133.807(D), Expected = 132.73, Std = 1.3000, ChiSquare = 4.0741e-01 1.Y56 CE1 = 117.470(D), Expected = 117.93, Std = 1.1900, ChiSquare = 6.9909e-01 1.Y56 CE2 = 117.470(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.1555e-01 1.Y56 H = 9.012(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.4316e-01 1.Y56 HA = 4.588(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.4021e-01 1.Y56 HB2 = 2.559(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.4280e-01 1.Y56 HB3 = 2.205(D), Expected = 2.84, Std = 0.3900, ChiSquare = 1.0348e-01 1.Y56 HD1 = 6.536(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.8907e-01 1.Y56 HD2 = 6.536(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.8907e-01 1.Y56 HE1 = 5.974(D), Expected = 6.70, Std = 0.2300, ChiSquare = 1.5966e-03 1.Y56 HE2 = 5.974(D), Expected = 6.71, Std = 0.2300, ChiSquare = 1.3743e-03 1.Y56 N = 126.619(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.4646e-01 1.I57 CA = 59.115(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.5187e-01 1.I57 CB = 40.424(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.7448e-01 1.I57 CG1 = 26.889(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.2506e-01 1.I57 CG2 = 17.381(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.1276e-01 1.I57 CD1 = 12.213(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.6616e-01 1.I57 H = 9.026(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7262e-01 1.I57 HA = 4.512(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.5328e-01 1.I57 HB = 1.737(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.8213e-01 1.I57 HG12 = 1.110(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.7084e-01 1.I57 HG13 = 0.805(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.4772e-01 1.I57 HG21 = 0.534(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.8208e-01 1.I57 HG22 = 0.534(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.8208e-01 1.I57 HG23 = 0.534(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.8208e-01 1.I57 HD11 = 0.487(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.0572e-01 1.I57 HD12 = 0.487(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.0572e-01 1.I57 HD13 = 0.487(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.0572e-01 1.I57 N = 123.435(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4448e-01 1.F58 CA = 54.452(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.5805e-01 1.F58 CZ = 131.152(D), Expected = 129.21, Std = 1.4300, ChiSquare = 1.7445e-01 1.F58 H = 8.808(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.3380e-01 1.F58 HA = 5.177(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.3723e-01 1.F58 HD1 = 6.081(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.5882e-03 1.F58 HD2 = 6.081(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.5882e-03 1.F58 HE1 = 6.782(D), Expected = 7.08, Std = 0.3100, ChiSquare = 3.3641e-01 1.F58 HE2 = 6.782(D), Expected = 7.08, Std = 0.3200, ChiSquare = 3.5172e-01 1.F58 HZ = 7.114(D), Expected = 7.00, Std = 0.4200, ChiSquare = 7.8606e-01 1.F58 N = 126.476(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4941e-01 1.N59 CA = 53.132(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2819e-01 1.N59 H = 8.821(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.4517e-01 1.N59 HA = 4.064(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.2311e-02 1.N59 HB2 = 2.634(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.7021e-01 1.N59 HB3 = 1.742(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.2540e-03 1.N59 HD21 = 7.062(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.4851e-01 1.N59 HD22 = 6.084(D), Expected = 7.14, Std = 0.4900, ChiSquare = 3.1154e-02 1.N59 N = 129.328(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8758e-03 1.N59 ND2 = 112.396(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.7387e-01 1.E60 CG = 37.024(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.4245e-01 1.E60 H = 8.353(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6890e-01 1.E60 HA = 3.388(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.5515e-02 1.E60 HB2 = 2.056(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.6389e-01 1.E60 HB3 = 2.056(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.7415e-01 1.E60 HG2 = 1.960(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3989e-01 1.E60 HG3 = 1.960(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.8744e-01 1.E60 N = 106.535(S), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8700e-05 1.K61 CB = 34.715(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.7949e-01 1.K61 CG = 24.686(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.5674e-01 1.K61 CD = 29.093(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.0199e-01 1.K61 H = 7.769(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.8289e-01 1.K61 HA = 4.594(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.6151e-01 1.K61 HB2 = 1.829(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.4461e-01 1.K61 HB3 = 1.822(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.6135e-01 1.K61 HG2 = 1.456(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.4082e-01 1.K61 HG3 = 1.445(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.3439e-01 1.K61 HD2 = 1.690(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.1613e-01 1.K61 HD3 = 1.679(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.1953e-01 1.K61 N = 121.990(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0310e-01 1.E62 CB = 28.772(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.7167e-01 1.E62 CG = 36.070(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.7319e-01 1.E62 H = 8.471(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1112e-01 1.E62 HA = 4.467(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.9662e-01 1.E62 HB2 = 1.739(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.8087e-01 1.E62 HB3 = 1.739(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.7514e-01 1.E62 HG2 = 2.350(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.0324e-01 1.E62 HG3 = 1.749(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.2770e-02 1.E62 N = 124.852(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2947e-01 1.I63 CA = 59.929(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.3050e-01 1.I63 CB = 40.286(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.1233e-01 1.I63 CG2 = 18.828(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.3988e-01 1.I63 CD1 = 11.856(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.4593e-01 1.I63 H = 8.446(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0714e-01 1.I63 HA = 4.426(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.6045e-01 1.I63 HB = 1.491(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.1898e-01 1.I63 HG12 = 0.465(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.1600e-02 1.I63 HG13 = 0.661(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.9697e-01 1.I63 HG21 = 0.890(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5672e-01 1.I63 HG22 = 0.890(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5672e-01 1.I63 HG23 = 0.890(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5672e-01 1.I63 HD11 = -0.357(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.4908e-04 1.I63 HD12 = -0.357(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.4908e-04 1.I63 HD13 = -0.357(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.4908e-04 1.I63 N = 121.121(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3687e-01 1.F64 CD1 = 132.213(D), Expected = 131.58, Std = 1.1800, ChiSquare = 5.9165e-01 1.F64 CD2 = 132.213(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.0269e-01 1.F64 H = 8.033(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4971e-01 1.F64 HA = 4.860(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.8657e-01 1.F64 HB2 = 3.367(D), Expected = 3.00, Std = 0.3700, ChiSquare = 3.2125e-01 1.F64 HB3 = 2.638(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.6539e-01 1.F64 HD1 = 7.305(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.2934e-01 1.F64 HD2 = 7.305(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.2934e-01 1.F64 N = 114.537(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.5719e-01 1.E65 H = 8.612(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3267e-01 1.E65 HA = 4.445(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.3435e-01 1.E65 HB2 = 1.948(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.3171e-01 1.E65 HB3 = 1.948(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.5511e-01 1.E65 HG2 = 2.457(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.7321e-01 1.E65 HG3 = 2.457(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.4675e-01 1.E65 N = 123.056(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9295e-01 1.G66 H = 9.083(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4668e-01 1.G66 HA2 = 4.069(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8903e-01 1.G66 HA3 = 4.069(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.4785e-01 1.G66 N = 117.452(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4341e-02 1.P67 CA = 64.104(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.1060e-01 1.P67 HA = 4.356(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.9393e-01 1.P67 HB2 = 2.372(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.0412e-01 1.P67 HB3 = 2.372(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.0145e-01 1.P67 HG2 = 1.999(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.2386e-01 1.P67 HG3 = 1.999(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.6418e-01 1.P67 HD2 = 3.717(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.4819e-01 1.P67 HD3 = 3.717(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.8381e-01 1.K68 CA = 57.840(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.8581e-01 1.K68 CE = 41.980(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.1260e-01 1.K68 H = 7.690(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.0466e-01 1.K68 HA = 4.260(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.8187e-01 1.K68 HB2 = 1.068(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.3995e-03 1.K68 HB3 = 1.068(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.2814e-02 1.K68 HG2 = 0.244(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.4859e-05 1.K68 HG3 = 0.914(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.1944e-01 1.K68 HD2 = 1.688(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.2293e-01 1.K68 HD3 = 1.259(D), Expected = 1.60, Std = 0.2200, ChiSquare = 1.2114e-01 1.K68 HE2 = 2.759(D), Expected = 2.92, Std = 0.1900, ChiSquare = 3.9679e-01 1.K68 HE3 = 2.673(D), Expected = 2.91, Std = 0.2000, ChiSquare = 2.3602e-01 1.K68 HZ1 = 7.118(U) 1.K68 HZ2 = 7.118(U) 1.K68 HZ3 = 7.118(U) 1.K68 N = 117.832(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.9334e-01 1.Y69 H = 7.831(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.0295e-01 1.Y69 HA = 5.212(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.9867e-01 1.Y69 HB2 = 2.912(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.9569e-01 1.Y69 HB3 = 2.533(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.3118e-01 1.Y69 HD1 = 7.142(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.7977e-01 1.Y69 HD2 = 7.142(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.7977e-01 1.Y69 HE1 = 6.864(D), Expected = 6.70, Std = 0.2300, ChiSquare = 4.7582e-01 1.Y69 HE2 = 6.864(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.0314e-01 1.Y69 N = 118.189(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.7889e-01 1.K70 CB = 35.852(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.5392e-02 1.K70 CG = 24.750(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.0140e-01 1.K70 H = 8.282(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7814e-01 1.K70 HA = 4.837(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.9752e-01 1.K70 HB2 = 1.967(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.5446e-01 1.K70 HB3 = 1.842(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.0560e-01 1.K70 HG2 = 1.528(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.4339e-01 1.K70 HG3 = 1.531(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.1800e-01 1.K70 HE2 = 2.933(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.4545e-01 1.K70 HE3 = 2.933(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.0845e-01 1.K70 N = 119.446(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7050e-01 1.M71 CA = 56.544(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.4569e-01 1.M71 CE = 19.604(D), Expected = 17.07, Std = 1.5800, ChiSquare = 1.0876e-01 1.M71 H = 8.822(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.4893e-01 1.M71 HA = 5.118(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.4021e-01 1.M71 HB2 = 2.224(D), Expected = 2.03, Std = 0.3400, ChiSquare = 5.6828e-01 1.M71 HB3 = 1.511(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.5889e-01 1.M71 HG2 = 2.637(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.3526e-01 1.M71 HG3 = 2.632(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.2423e-01 1.M71 HE1 = 1.051(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.8165e-02 1.M71 HE2 = 1.051(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.8165e-02 1.M71 HE3 = 1.051(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.8165e-02 1.M71 N = 124.837(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.8362e-01 1.H72 H = 8.724(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.7661e-01 1.H72 HA = 4.833(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.0404e-01 1.H72 HB2 = 3.282(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.1317e-01 1.H72 HB3 = 3.310(D), Expected = 3.04, Std = 0.3800, ChiSquare = 4.7738e-01 1.H72 N = 118.898(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.4305e-01 1.I73 CB = 41.844(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.1159e-01 1.I73 CG1 = 28.111(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.1135e-01 1.I73 CG2 = 17.226(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.2312e-01 1.I73 CD1 = 14.893(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.8100e-01 1.I73 H = 8.099(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.9010e-01 1.I73 HA = 4.554(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.0422e-01 1.I73 HB = 1.619(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.7878e-01 1.I73 HG12 = 1.647(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.5888e-01 1.I73 HG13 = 1.647(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.6501e-01 1.I73 HG21 = 0.700(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9544e-01 1.I73 HG22 = 0.700(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9544e-01 1.I73 HG23 = 0.700(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9544e-01 1.I73 HD11 = 0.865(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.2352e-01 1.I73 HD12 = 0.865(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.2352e-01 1.I73 HD13 = 0.865(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.2352e-01 1.I73 N = 125.514(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4354e-01 1.D74 H = 8.613(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.0138e-01 1.D74 N = 126.225(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.4865e-01 1.R75 CA = 58.658(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.1375e-01 1.R75 CG = 27.332(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.1902e-01 1.R75 H = 8.971(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.3078e-01 1.R75 HA = 3.864(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.4322e-01 1.R75 HG2 = 1.664(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.2773e-01 1.R75 HG3 = 1.664(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.6895e-01 1.R75 HH21 = 6.750(D), Expected = 6.81, Std = 0.4800, ChiSquare = 9.0052e-01 1.R75 HH22 = 6.750(D), Expected = 6.76, Std = 0.3600, ChiSquare = 9.7784e-01 1.R75 N = 123.213(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1201e-01 1.N76 CB = 38.806(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4528e-01 1.N76 H = 8.670(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.0041e-01 1.N76 HA = 4.638(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.2917e-01 1.N76 HB2 = 3.097(D), Expected = 2.81, Std = 0.3100, ChiSquare = 3.5455e-01 1.N76 HB3 = 2.899(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.5162e-01 1.N76 HD21 = 7.933(D), Expected = 7.35, Std = 0.4800, ChiSquare = 2.2452e-01 1.N76 HD22 = 7.048(D), Expected = 7.14, Std = 0.4900, ChiSquare = 8.5107e-01 1.N76 N = 115.977(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.6371e-01 1.N76 ND2 = 114.835(D), Expected = 112.75, Std = 2.2300, ChiSquare = 3.4980e-01 1.T77 CA = 61.661(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2912e-01 1.T77 CB = 70.590(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.9777e-01 1.T77 CG2 = 21.457(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.3323e-01 1.T77 H = 7.554(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.6853e-01 1.T77 HA = 4.423(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.3856e-01 1.T77 HB = 4.328(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.3209e-01 1.T77 HG21 = 1.212(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5425e-01 1.T77 HG22 = 1.212(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5425e-01 1.T77 HG23 = 1.212(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5425e-01 1.T77 N = 106.734(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7455e-02 1.G78 CA = 45.326(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8571e-01 1.G78 H = 8.269(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2523e-01 1.G78 HA2 = 3.294(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.7696e-02 1.G78 HA3 = 4.638(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.6087e-02 1.G78 N = 111.813(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7975e-01 1.I79 CB = 37.429(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.5214e-01 1.I79 CG1 = 28.197(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.7191e-01 1.I79 CG2 = 16.916(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.5165e-01 1.I79 CD1 = 11.440(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.3341e-01 1.I79 H = 7.656(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5880e-01 1.I79 HA = 4.648(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.0332e-01 1.I79 HB = 1.894(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.9424e-01 1.I79 HG12 = 1.169(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.8140e-01 1.I79 HG13 = 1.642(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.7027e-01 1.I79 HG21 = 0.931(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5098e-01 1.I79 HG22 = 0.931(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5098e-01 1.I79 HG23 = 0.931(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5098e-01 1.I79 HD11 = 0.824(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1951e-01 1.I79 HD12 = 0.824(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1951e-01 1.I79 HD13 = 0.824(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1951e-01 1.I79 N = 121.769(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4245e-01 1.I80 CG1 = 27.320(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.1643e-01 1.I80 CG2 = 20.601(D), Expected = 17.53, Std = 1.3600, ChiSquare = 2.3940e-02 1.I80 CD1 = 15.197(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.9002e-01 1.I80 H = 8.586(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.5271e-01 1.I80 HA = 4.562(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.9515e-01 1.I80 HB = 1.663(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.8662e-01 1.I80 HG12 = 1.517(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.5352e-01 1.I80 HG13 = 1.517(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.2513e-01 1.I80 HG21 = 0.890(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5672e-01 1.I80 HG22 = 0.890(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5672e-01 1.I80 HG23 = 0.890(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.5672e-01 1.I80 HD11 = 0.837(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.8825e-01 1.I80 HD12 = 0.837(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.8825e-01 1.I80 HD13 = 0.837(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.8825e-01 1.I80 N = 130.386(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7023e-02 1.E81 CA = 54.291(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4726e-01 1.E81 H = 9.305(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8424e-02 1.E81 HA = 6.126(S), Expected = 4.25, Std = 0.4100, ChiSquare = 4.7483e-06 1.E81 HG2 = 2.547(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.8715e-01 1.E81 HG3 = 2.412(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.6151e-01 1.E81 N = 122.787(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4297e-01 1.M82 CE = 17.723(D), Expected = 17.07, Std = 1.5800, ChiSquare = 6.7939e-01 1.M82 H = 9.582(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.7571e-02 1.M82 HA = 5.379(D), Expected = 4.41, Std = 0.4800, ChiSquare = 4.3513e-02 1.M82 HB2 = 1.885(D), Expected = 2.03, Std = 0.3400, ChiSquare = 6.6976e-01 1.M82 HB3 = 2.113(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.1753e-01 1.M82 HG2 = 2.342(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.2365e-01 1.M82 HG3 = 2.322(D), Expected = 2.39, Std = 0.3800, ChiSquare = 8.5798e-01 1.M82 HE1 = 1.448(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.3662e-01 1.M82 HE2 = 1.448(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.3662e-01 1.M82 HE3 = 1.448(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.3662e-01 1.M82 N = 122.587(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.8428e-01 1.F83 CA = 55.861(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.8790e-01 1.F83 CD1 = 131.080(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.7176e-01 1.F83 CD2 = 131.080(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.2338e-01 1.F83 CE1 = 130.909(D), Expected = 130.71, Std = 1.3000, ChiSquare = 8.7834e-01 1.F83 CE2 = 130.909(D), Expected = 130.76, Std = 1.1300, ChiSquare = 8.9510e-01 1.F83 H = 9.976(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4804e-02 1.F83 HA = 6.146(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.8222e-03 1.F83 HB2 = 2.843(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.7133e-01 1.F83 HB3 = 3.100(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.7084e-01 1.F83 HD1 = 7.021(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9989e-01 1.F83 HD2 = 7.021(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9989e-01 1.F83 HE1 = 6.821(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.0345e-01 1.F83 HE2 = 6.821(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.1830e-01 1.F83 N = 123.558(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5715e-01 1.M84 CA = 55.278(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.0908e-01 1.M84 CE = 17.632(D), Expected = 17.07, Std = 1.5800, ChiSquare = 7.2207e-01 1.M84 H = 9.195(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.1915e-01 1.M84 HA = 4.962(D), Expected = 4.41, Std = 0.4800, ChiSquare = 2.5014e-01 1.M84 HB2 = 1.755(D), Expected = 2.03, Std = 0.3400, ChiSquare = 4.1862e-01 1.M84 HB3 = 2.515(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.2256e-01 1.M84 HG2 = 2.657(D), Expected = 2.42, Std = 0.3500, ChiSquare = 4.9832e-01 1.M84 HG3 = 2.832(D), Expected = 2.39, Std = 0.3800, ChiSquare = 2.4477e-01 1.M84 HE1 = 2.155(D), Expected = 1.89, Std = 0.4600, ChiSquare = 5.6456e-01 1.M84 HE2 = 2.155(D), Expected = 1.89, Std = 0.4600, ChiSquare = 5.6456e-01 1.M84 HE3 = 2.155(D), Expected = 1.89, Std = 0.4600, ChiSquare = 5.6456e-01 1.M84 N = 118.918(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.4269e-01 1.E85 CA = 58.058(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2401e-01 1.E85 CB = 31.205(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8720e-01 1.E85 CG = 36.358(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.3491e-01 1.E85 H = 9.128(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7620e-01 1.E85 HA = 4.124(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.5860e-01 1.E85 HB2 = 2.057(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.6014e-01 1.E85 HB3 = 2.057(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.7082e-01 1.E85 HG2 = 2.214(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.8973e-01 1.E85 HG3 = 2.390(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.2454e-01 1.E85 N = 121.108(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9984e-01 1.K86 CB = 35.457(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.3405e-01 1.K86 CD = 28.855(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.2255e-01 1.K86 CE = 41.783(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.9618e-01 1.K86 H = 7.418(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9821e-01 1.K86 HA = 4.534(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.4851e-01 1.K86 HB2 = 1.786(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.8085e-01 1.K86 HB3 = 1.788(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.5890e-01 1.K86 HG2 = 1.242(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.2250e-01 1.K86 HG3 = 1.250(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.2098e-01 1.K86 HD2 = 1.546(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.7112e-01 1.K86 HD3 = 1.528(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.4346e-01 1.K86 HE2 = 2.819(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.9502e-01 1.K86 HE3 = 2.815(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.3479e-01 1.K86 N = 112.712(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.6989e-02 1.L87 CD1 = 23.517(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.4929e-01 1.L87 CD2 = 26.091(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.2991e-01 1.L87 H = 8.787(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9149e-01 1.L87 HA = 4.921(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0099e-01 1.L87 HB2 = 1.697(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9804e-01 1.L87 HB3 = 1.697(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.2295e-01 1.L87 HD11 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 1.L87 HD12 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 1.L87 HD13 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 1.L87 HD21 = 0.740(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7249e-01 1.L87 HD22 = 0.740(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7249e-01 1.L87 HD23 = 0.740(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7249e-01 1.L87 N = 122.582(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5313e-01 1.Q88 H = 10.060(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.8169e-03 1.Q88 HA = 4.825(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.0718e-01 1.Q88 HB2 = 1.883(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.0413e-01 1.Q88 HB3 = 1.883(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.2464e-01 1.Q88 HG2 = 2.361(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.7930e-01 1.Q88 HG3 = 2.199(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.5368e-01 1.Q88 HE21 = 7.848(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.7666e-01 1.Q88 HE22 = 6.894(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.7460e-01 1.Q88 N = 124.232(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.2777e-01 1.Q88 NE2 = 112.262(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.1972e-01 1.D89 H = 9.633(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.2546e-02 1.D89 HB2 = 2.780(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.1749e-01 1.D89 HB3 = 2.780(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.6823e-01 1.D89 N = 128.139(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2361e-02 1.E90 CA = 57.533(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.1883e-01 1.E90 H = 9.132(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7404e-01 1.E90 HA = 4.383(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.4564e-01 1.E90 HB2 = 2.161(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.0195e-01 1.E90 HB3 = 2.161(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.5719e-01 1.E90 N = 115.331(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2498e-01 1.D91 H = 7.749(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.3342e-01 1.D91 HA = 4.758(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.9958e-01 1.D91 HB2 = 2.794(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.7594e-01 1.D91 HB3 = 2.794(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.3224e-01 1.D91 N = 119.525(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7071e-01 1.E92 H = 6.711(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.0683e-03 1.E92 HA = 3.168(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.3145e-03 1.E92 HB2 = 1.394(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.8735e-03 1.E92 HB3 = 1.684(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.8337e-01 1.E92 HG2 = 2.117(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.6626e-01 1.E92 HG3 = 2.457(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.4675e-01 1.E92 N = 122.142(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7230e-01 1.G93 H = 8.350(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7545e-01 1.G93 HA2 = 3.633(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.6240e-01 1.G93 HA3 = 4.769(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.8842e-02 1.G93 N = 114.130(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4913e-01 1.T94 CB = 70.113(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.1423e-01 1.T94 CG2 = 22.175(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.7339e-01 1.T94 H = 8.084(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0134e-01 1.T94 HA = 4.816(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.5829e-01 1.T94 HB = 3.852(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.3523e-01 1.T94 HG21 = 1.040(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.6372e-01 1.T94 HG22 = 1.040(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.6372e-01 1.T94 HG23 = 1.040(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.6372e-01 1.T94 N = 117.470(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.6605e-01 1.Y95 CA = 57.265(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3038e-01 1.Y95 H = 9.325(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.6860e-01 1.Y95 HA = 5.227(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.8639e-01 1.Y95 HB2 = 2.977(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.5630e-01 1.Y95 HB3 = 2.523(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.1632e-01 1.Y95 HD1 = 6.753(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.5519e-01 1.Y95 HD2 = 6.753(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.5519e-01 1.Y95 HE1 = 6.526(D), Expected = 6.70, Std = 0.2300, ChiSquare = 4.4934e-01 1.Y95 HE2 = 6.526(D), Expected = 6.71, Std = 0.2300, ChiSquare = 4.2371e-01 1.Y95 HH = 8.788(D), Expected = 9.30, Std = 1.3600, ChiSquare = 7.0657e-01 1.Y95 N = 130.235(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.0717e-02 1.T96 CA = 60.990(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3486e-01 1.T96 CB = 73.261(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.0292e-02 1.T96 CG2 = 22.105(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.1707e-01 1.T96 H = 9.388(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4082e-02 1.T96 HA = 5.351(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.3418e-02 1.T96 HB = 3.592(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.9857e-02 1.T96 HG21 = 1.039(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.6057e-01 1.T96 HG22 = 1.039(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.6057e-01 1.T96 HG23 = 1.039(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.6057e-01 1.T96 N = 119.001(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5091e-01 1.F97 H = 8.796(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.4481e-01 1.F97 HA = 5.317(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.2810e-01 1.F97 HB2 = 2.587(D), Expected = 3.00, Std = 0.3700, ChiSquare = 2.6433e-01 1.F97 HB3 = 3.355(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.8801e-01 1.F97 HD1 = 7.033(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.3059e-01 1.F97 HD2 = 7.033(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.3059e-01 1.F97 HE1 = 7.135(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.5918e-01 1.F97 HE2 = 7.135(D), Expected = 7.08, Std = 0.3200, ChiSquare = 8.6354e-01 1.F97 N = 126.178(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.7058e-01 1.Q98 CA = 54.235(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7522e-01 1.Q98 CB = 33.938(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0863e-03 1.Q98 CG = 33.931(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.7757e-01 1.Q98 H = 9.040(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6458e-01 1.Q98 HA = 4.887(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6083e-01 1.Q98 HB2 = 2.067(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.4579e-01 1.Q98 HB3 = 2.094(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9156e-01 1.Q98 HG2 = 2.106(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.2802e-01 1.Q98 HG3 = 2.103(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.1904e-01 1.Q98 HE21 = 7.096(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.4897e-01 1.Q98 HE22 = 6.657(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.0937e-01 1.Q98 N = 122.749(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.2710e-01 1.Q98 NE2 = 110.133(D), Expected = 111.87, Std = 1.7200, ChiSquare = 3.1255e-01 1.I99 CB = 41.729(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.2499e-01 1.I99 CG1 = 28.436(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.6564e-01 1.I99 CG2 = 19.187(D), Expected = 17.53, Std = 1.3600, ChiSquare = 2.2308e-01 1.I99 CD1 = 14.968(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.5707e-01 1.I99 H = 9.144(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0387e-01 1.I99 HA = 4.678(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.7385e-01 1.I99 HB = 1.336(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.2576e-01 1.I99 HG12 = 1.379(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.0452e-01 1.I99 HG13 = 0.791(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.3047e-01 1.I99 HG21 = 0.716(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.4148e-01 1.I99 HG22 = 0.716(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.4148e-01 1.I99 HG23 = 0.716(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.4148e-01 1.I99 HD11 = 0.737(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4418e-01 1.I99 HD12 = 0.737(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4418e-01 1.I99 HD13 = 0.737(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4418e-01 1.I99 N = 124.991(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0937e-01 1.Q100 CA = 54.578(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.5194e-01 1.Q100 CB = 31.670(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.7300e-01 1.Q100 CG = 33.557(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.5489e-01 1.Q100 H = 8.972(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.0246e-01 1.Q100 HA = 4.928(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.3480e-01 1.Q100 HB2 = 1.955(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.0395e-01 1.Q100 HB3 = 1.989(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.1184e-01 1.Q100 HG2 = 2.332(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.6455e-01 1.Q100 HG3 = 2.297(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8074e-01 1.Q100 HE21 = 7.510(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.4851e-01 1.Q100 HE22 = 6.685(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.4644e-01 1.Q100 N = 127.673(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0622e-02 1.Q100 NE2 = 112.033(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.2450e-01 1.D101 H = 8.906(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.0414e-01 1.D101 HA = 4.792(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.2788e-01 1.D101 HB2 = 2.887(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.2067e-01 1.D101 HB3 = 2.887(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.1753e-01 1.D101 N = 126.486(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.3055e-01 1.G102 H = 9.049(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6866e-01 1.G102 HA2 = 3.595(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.1082e-01 1.G102 HA3 = 4.060(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.6543e-01 1.G102 N = 116.107(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6251e-02 1.K103 CA = 56.237(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.4587e-01 1.K103 CB = 33.165(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3314e-01 1.K103 CG = 24.748(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.0000e-01 1.K103 H = 9.056(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.4893e-01 1.K103 HA = 4.190(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5573e-01 1.K103 HB2 = 1.607(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.8894e-01 1.K103 HB3 = 1.608(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.2492e-01 1.K103 HG2 = 1.468(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.0623e-01 1.K103 HG3 = 1.238(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.8916e-01 1.K103 HE2 = 2.935(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.3707e-01 1.K103 HE3 = 2.945(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.6108e-01 1.A104 CA = 51.375(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7271e-01 1.A104 CB = 20.725(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.4868e-01 1.A104 H = 7.739(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4229e-01 1.A104 HA = 4.578(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.6985e-01 1.A104 HB1 = 1.304(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A104 HB2 = 1.304(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A104 HB3 = 1.304(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A104 N = 121.981(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2422e-01 1.T105 CA = 59.567(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.0568e-01 1.T105 CB = 72.221(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.2646e-01 1.T105 CG2 = 21.674(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.1105e-01 1.T105 H = 7.942(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3077e-01 1.T105 HA = 5.329(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.0231e-02 1.T105 HB = 4.140(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.2757e-01 1.T105 HG21 = 1.150(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.6532e-01 1.T105 HG22 = 1.150(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.6532e-01 1.T105 HG23 = 1.150(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.6532e-01 1.T105 N = 112.238(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.0293e-01 1.G106 H = 8.867(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0872e-01 1.G106 HA2 = 4.630(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.4459e-02 1.G106 HA3 = 3.929(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3753e-01 1.G106 N = 110.585(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1310e-01 1.H107 CA = 55.577(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.8311e-01 1.H107 H = 8.469(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.3629e-01 1.H107 HA = 5.590(D), Expected = 4.61, Std = 0.4300, ChiSquare = 2.2663e-02 1.H107 HB2 = 2.861(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.0676e-01 1.H107 HB3 = 3.246(D), Expected = 3.04, Std = 0.3800, ChiSquare = 5.8775e-01 1.H107 HD2 = 7.367(D), Expected = 7.00, Std = 0.4300, ChiSquare = 3.9339e-01 1.H107 N = 116.082(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.6706e-01 1.S108 CB = 64.832(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.8562e-01 1.S108 H = 8.358(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9482e-01 1.S108 HA = 4.530(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.0052e-01 1.S108 HB2 = 3.707(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.8894e-01 1.S108 HB3 = 3.702(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.8359e-01 1.S108 N = 113.795(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8021e-01 1.T109 CA = 61.874(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9373e-01 1.T109 CB = 72.571(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.1343e-02 1.T109 CG2 = 22.432(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.2685e-01 1.T109 H = 8.471(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.0946e-01 1.T109 HA = 5.495(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.1064e-02 1.T109 HB = 3.742(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.9464e-01 1.T109 HG21 = 1.089(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2452e-01 1.T109 HG22 = 1.089(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2452e-01 1.T109 HG23 = 1.089(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2452e-01 1.T109 N = 124.518(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.5446e-02 1.L110 CG = 26.972(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6144e-01 1.L110 CD1 = 26.697(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.1372e-01 1.L110 CD2 = 23.084(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.6988e-01 1.L110 H = 9.962(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7076e-03 1.L110 HA = 4.761(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.4809e-01 1.L110 HG = 1.430(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.0845e-01 1.L110 HD11 = 0.793(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7795e-01 1.L110 HD12 = 0.793(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7795e-01 1.L110 HD13 = 0.793(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7795e-01 1.L110 HD21 = 0.989(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7180e-01 1.L110 HD22 = 0.989(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7180e-01 1.L110 HD23 = 0.989(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7180e-01 1.L110 N = 131.515(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3300e-02 1.V111 CA = 63.101(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.3083e-01 1.V111 CB = 31.695(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6312e-01 1.V111 CG1 = 21.561(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.5836e-01 1.V111 CG2 = 21.169(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.5348e-01 1.V111 H = 8.972(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.0872e-01 1.V111 HA = 4.229(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.4639e-01 1.V111 HB = 2.142(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.1268e-01 1.V111 HG11 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V111 HG12 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V111 HG13 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V111 HG21 = 0.972(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3903e-01 1.V111 HG22 = 0.972(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3903e-01 1.V111 HG23 = 0.972(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3903e-01 1.V111 N = 128.899(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7445e-02 1.L112 CD1 = 26.141(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.7148e-01 1.L112 CD2 = 24.287(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.8912e-01 1.L112 H = 8.973(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5301e-01 1.L112 HA = 4.834(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.7412e-01 1.L112 HB2 = 2.415(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.7902e-02 1.L112 HB3 = 2.415(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.2915e-02 1.L112 HG = 1.827(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3675e-01 1.L112 HD11 = 1.033(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1215e-01 1.L112 HD12 = 1.033(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1215e-01 1.L112 HD13 = 1.033(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1215e-01 1.L112 HD21 = 0.993(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6446e-01 1.L112 HD22 = 0.993(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6446e-01 1.L112 HD23 = 0.993(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6446e-01 1.L112 N = 132.815(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9700e-03 1.I113 CA = 59.184(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6535e-01 1.I113 CB = 42.991(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.0857e-02 1.I113 CG1 = 26.444(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.5111e-01 1.I113 CG2 = 17.172(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.9237e-01 1.I113 CD1 = 13.466(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.8280e-01 1.I113 H = 7.575(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.9985e-01 1.I113 HA = 4.896(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.0105e-01 1.I113 HB = 1.754(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.2856e-01 1.I113 HG12 = 0.923(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.7213e-01 1.I113 HG13 = 1.356(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.8557e-01 1.I113 HG21 = 0.838(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0116e-01 1.I113 HG22 = 0.838(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0116e-01 1.I113 HG23 = 0.838(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0116e-01 1.I113 HD11 = 0.775(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.4322e-01 1.I113 HD12 = 0.775(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.4322e-01 1.I113 HD13 = 0.775(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.4322e-01 1.I113 N = 116.434(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.4028e-01 1.G114 H = 9.537(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.3322e-02 1.G114 HA2 = 3.892(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3303e-01 1.G114 HA3 = 3.889(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7628e-01 1.G114 N = 113.859(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.7906e-01 1.D115 CA = 58.024(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.0051e-01 1.D115 CB = 40.297(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.1894e-01 1.D115 HA = 4.355(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.6272e-01 1.D115 HB2 = 2.724(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.8773e-01 1.D115 HB3 = 2.708(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.6389e-01 1.V116 CA = 65.673(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6574e-01 1.V116 CB = 31.996(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.8176e-01 1.V116 CG1 = 20.852(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.3899e-01 1.V116 CG2 = 22.254(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.2401e-01 1.V116 H = 8.126(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.0663e-01 1.V116 HA = 3.787(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.8716e-01 1.V116 HB = 2.372(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.2058e-01 1.V116 HG11 = 1.116(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7133e-01 1.V116 HG12 = 1.116(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7133e-01 1.V116 HG13 = 1.116(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7133e-01 1.V116 HG21 = 1.183(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.7136e-01 1.V116 HG22 = 1.183(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.7136e-01 1.V116 HG23 = 1.183(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.7136e-01 1.V116 N = 118.685(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8868e-01 1.Y117 CA = 61.678(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.5750e-01 1.Y117 CD1 = 132.422(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.6613e-01 1.Y117 CD2 = 132.422(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.1272e-01 1.Y117 CE1 = 117.898(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.7855e-01 1.Y117 CE2 = 117.898(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.9865e-01 1.Y117 H = 6.973(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.5008e-02 1.Y117 HA = 4.039(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.9126e-01 1.Y117 HB2 = 2.785(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.3549e-01 1.Y117 HB3 = 3.070(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.5536e-01 1.Y117 HD1 = 7.017(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.7182e-01 1.Y117 HD2 = 7.017(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.7182e-01 1.Y117 HE1 = 6.643(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.0427e-01 1.Y117 HE2 = 6.643(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.7082e-01 1.Y117 N = 120.665(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.7246e-01 1.K118 CA = 58.582(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.5820e-01 1.K118 CG = 24.862(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8023e-01 1.K118 CD = 27.914(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.3279e-01 1.K118 H = 8.245(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.2696e-01 1.K118 HA = 3.973(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9968e-01 1.K118 HG2 = 1.656(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.7133e-01 1.K118 HG3 = 1.663(D), Expected = 1.35, Std = 0.2800, ChiSquare = 2.6363e-01 1.K118 HD2 = 1.734(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.7300e-01 1.K118 HD3 = 1.857(D), Expected = 1.60, Std = 0.2200, ChiSquare = 2.4273e-01 1.K118 HE2 = 3.066(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.4224e-01 1.K118 HE3 = 3.021(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.7889e-01 1.K118 N = 117.599(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.5999e-01 1.K119 CA = 59.812(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9329e-01 1.K119 CB = 32.306(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8569e-01 1.K119 CG = 24.889(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.9929e-01 1.K119 CD = 29.100(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.9686e-01 1.K119 H = 8.050(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1550e-01 1.K119 HA = 3.975(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0257e-01 1.K119 HB2 = 1.870(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.1885e-01 1.K119 HB3 = 1.871(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.2754e-01 1.K119 HG2 = 1.379(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.7239e-01 1.K119 HG3 = 1.599(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.7385e-01 1.K119 HD2 = 1.686(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.2975e-01 1.K119 HD3 = 1.680(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.1613e-01 1.K119 HE2 = 2.967(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.0462e-01 1.K119 HE3 = 2.967(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.7564e-01 1.K119 N = 118.778(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4674e-01 1.L120 CA = 57.841(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9708e-01 1.L120 CB = 42.072(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9926e-01 1.L120 CG = 26.636(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.9585e-01 1.L120 CD1 = 24.436(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.5824e-01 1.L120 CD2 = 26.504(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.4887e-01 1.L120 H = 7.175(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0457e-01 1.L120 HA = 4.106(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.4888e-01 1.L120 HB2 = 1.620(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.7654e-01 1.L120 HB3 = 1.612(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.9829e-01 1.L120 HG = 1.446(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.4622e-01 1.L120 HD11 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L120 HD12 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L120 HD13 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L120 HD21 = 0.792(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3071e-01 1.L120 HD22 = 0.792(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3071e-01 1.L120 HD23 = 0.792(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3071e-01 1.L120 N = 122.448(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8016e-01 1.Q121 CA = 59.611(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5531e-01 1.Q121 H = 8.509(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2425e-01 1.Q121 HA = 3.732(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.2143e-01 1.Q121 HB2 = 1.971(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.5200e-01 1.Q121 HG2 = 2.375(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.3859e-01 1.Q121 HG3 = 2.369(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.8530e-01 1.Q121 HE21 = 7.357(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.9486e-01 1.Q121 HE22 = 6.963(D), Expected = 7.02, Std = 0.4400, ChiSquare = 8.9693e-01 1.Q121 N = 117.786(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.5892e-01 1.Q121 NE2 = 109.782(D), Expected = 111.87, Std = 1.7200, ChiSquare = 2.2477e-01 1.K122 CA = 59.409(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6368e-01 1.K122 CB = 32.122(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.0745e-01 1.K122 H = 7.939(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7570e-01 1.K122 HA = 4.045(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.0910e-01 1.K122 HB2 = 1.951(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.9398e-01 1.K122 HB3 = 1.957(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.2157e-01 1.K122 HE2 = 2.993(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.0082e-01 1.K122 HE3 = 2.993(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.7814e-01 1.K122 HZ1 = 7.084(U) 1.K122 HZ2 = 7.084(U) 1.K122 HZ3 = 7.084(U) 1.K122 N = 118.571(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1082e-01 1.E123 H = 8.084(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7672e-01 1.E123 HA = 4.255(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9027e-01 1.E123 HB2 = 2.057(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.6014e-01 1.E123 HG2 = 2.457(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.7321e-01 1.E123 HG3 = 2.457(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.4675e-01 1.E123 N = 121.864(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3152e-01 1.A124 CA = 55.901(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6318e-01 1.A124 CB = 17.511(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.1271e-01 1.A124 H = 8.825(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.9757e-01 1.A124 HA = 4.068(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.6257e-01 1.A124 HB1 = 1.518(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1818e-01 1.A124 HB2 = 1.518(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1818e-01 1.A124 HB3 = 1.518(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1818e-01 1.A124 N = 123.745(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8433e-01 1.E125 CA = 58.577(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4755e-01 1.E125 CB = 29.221(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4643e-01 1.E125 CG = 35.852(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.2836e-01 1.E125 H = 8.195(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1901e-01 1.E125 HA = 4.256(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8832e-01 1.E125 HB2 = 2.159(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.0803e-01 1.E125 HB3 = 2.125(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.5723e-01 1.E125 HG2 = 2.452(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.8612e-01 1.E125 HG3 = 2.452(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.5852e-01 1.E125 N = 118.291(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9421e-01 1.F126 CA = 61.340(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.0463e-01 1.F126 CB = 38.733(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.4755e-01 1.F126 CD1 = 131.921(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.7259e-01 1.F126 CD2 = 131.921(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.9500e-01 1.F126 H = 8.370(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.8892e-01 1.F126 HA = 4.384(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.6605e-01 1.F126 HB2 = 3.274(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.5897e-01 1.F126 HB3 = 3.385(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.5533e-01 1.F126 HD1 = 7.320(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.0163e-01 1.F126 HD2 = 7.320(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.0163e-01 1.F126 HE1 = 7.356(D), Expected = 7.08, Std = 0.3100, ChiSquare = 3.7329e-01 1.F126 HE2 = 7.356(D), Expected = 7.08, Std = 0.3200, ChiSquare = 3.8841e-01 1.F126 N = 120.855(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.2281e-01 1.Q127 CA = 58.592(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.4473e-01 1.Q127 CB = 27.522(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.5941e-01 1.Q127 CG = 32.012(D), Expected = 33.76, Std = 1.1100, ChiSquare = 1.1531e-01 1.Q127 H = 8.502(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.3267e-01 1.Q127 HA = 4.068(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4617e-01 1.Q127 HB2 = 2.083(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.9498e-01 1.Q127 HB3 = 1.881(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.1959e-01 1.Q127 HG2 = 2.674(D), Expected = 2.32, Std = 0.2700, ChiSquare = 1.8982e-01 1.Q127 HG3 = 2.499(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.7110e-01 1.Q127 HE21 = 6.937(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.0074e-01 1.Q127 HE22 = 7.948(D), Expected = 7.02, Std = 0.4400, ChiSquare = 3.4937e-02 1.Q127 N = 117.287(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.6965e-01 1.Q127 NE2 = 112.674(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.4018e-01 1.R128 CB = 29.327(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.5309e-01 1.R128 H = 8.433(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5170e-01 1.R128 HB2 = 1.888(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.1663e-01 1.R128 HB3 = 1.888(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.4757e-01 1.R128 HE = 7.170(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.1505e-01 1.R128 N = 121.672(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1269e-01 1.Q129 CA = 58.607(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.4116e-01 1.Q129 CB = 27.799(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.4470e-01 1.Q129 CG = 33.996(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.3163e-01 1.Q129 H = 8.278(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2169e-01 1.Q129 HA = 4.042(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.0433e-01 1.Q129 HB2 = 2.219(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.9904e-01 1.Q129 HB3 = 2.267(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.7770e-01 1.Q129 HG2 = 2.529(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.3889e-01 1.Q129 HG3 = 2.654(D), Expected = 2.29, Std = 0.2900, ChiSquare = 2.0942e-01 1.Q129 HE21 = 6.875(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.1730e-01 1.Q129 HE22 = 7.672(D), Expected = 7.02, Std = 0.4400, ChiSquare = 1.3839e-01 1.Q129 N = 117.560(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.1749e-01 1.Q129 NE2 = 112.037(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.2265e-01 1.E130 H = 8.614(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3026e-01 1.E130 HB2 = 1.686(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.1173e-01 1.E130 HB3 = 1.686(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.8625e-01 1.E130 HG2 = 2.225(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.3032e-01 1.E130 HG3 = 2.225(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.0953e-01 1.E130 N = 122.043(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9318e-01 1.W131 CD1 = 127.010(D), Expected = 126.51, Std = 1.8300, ChiSquare = 7.8468e-01 1.W131 CZ3 = 124.667(D), Expected = 121.35, Std = 1.5300, ChiSquare = 3.0161e-02 1.W131 H = 8.216(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.2537e-01 1.W131 HB2 = 3.410(D), Expected = 3.19, Std = 0.3500, ChiSquare = 5.2963e-01 1.W131 HB3 = 3.410(D), Expected = 3.12, Std = 0.3600, ChiSquare = 4.2050e-01 1.W131 HD1 = 7.187(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.9613e-01 1.W131 HE1 = 10.166(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.9633e-01 1.W131 HE3 = 7.588(D), Expected = 7.31, Std = 0.4100, ChiSquare = 4.9774e-01 1.W131 HZ2 = 7.338(D), Expected = 7.28, Std = 0.3300, ChiSquare = 8.6048e-01 1.W131 HZ3 = 7.142(D), Expected = 6.86, Std = 0.4000, ChiSquare = 4.8081e-01 1.W131 HH2 = 7.326(D), Expected = 6.98, Std = 0.3900, ChiSquare = 3.7498e-01 1.W131 N = 117.606(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.2974e-01 1.W131 NE1 = 129.866(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.9581e-01 1.I132 CA = 65.060(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9798e-01 1.I132 CB = 38.372(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.9837e-01 1.I132 CG1 = 29.148(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.9202e-01 1.I132 CG2 = 16.954(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.7191e-01 1.I132 CD1 = 13.256(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.1702e-01 1.I132 H = 7.836(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.1379e-01 1.I132 HA = 4.044(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.0812e-01 1.I132 HB = 1.956(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.4392e-01 1.I132 HG12 = 1.274(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.8803e-01 1.I132 HG13 = 1.274(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.3767e-01 1.I132 HG21 = 0.927(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 1.I132 HG22 = 0.927(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 1.I132 HG23 = 0.927(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 1.I132 HD11 = 0.947(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5721e-01 1.I132 HD12 = 0.947(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5721e-01 1.I132 HD13 = 0.947(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5721e-01 1.I132 N = 117.973(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1523e-01 1.R133 H = 8.279(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.4902e-01 1.R133 HG2 = 1.627(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.3280e-01 1.R133 HG3 = 1.627(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.6418e-01 1.R133 N = 122.505(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4314e-01 1.K134 H = 7.545(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8237e-01 1.K134 N = 115.706(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.5633e-01 1.Q135 CA = 55.236(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.3305e-01 1.Q135 CB = 27.393(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.2347e-01 1.Q135 H = 7.181(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.8236e-02 1.Q135 HA = 3.833(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.2062e-01 1.Q135 HB2 = 1.563(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.1415e-02 1.Q135 HB3 = 2.025(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.8575e-01 1.Q135 HG2 = 1.790(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.9651e-02 1.Q135 HG3 = 1.790(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.4683e-02 1.Q135 HE21 = 6.159(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.6296e-02 1.Q135 HE22 = 6.001(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.0563e-02 1.Q135 N = 116.019(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.8225e-01 1.Q135 NE2 = 114.192(D), Expected = 111.87, Std = 1.7200, ChiSquare = 1.7702e-01 1.G136 CA = 43.295(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2513e-01 1.G136 H = 7.031(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.5667e-02 1.G136 HA2 = 4.158(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.1138e-01 1.G136 HA3 = 4.158(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.8562e-01 1.G136 N = 106.933(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7942e-01 1.P137 HD2 = 3.510(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.8916e-01 1.P137 HD3 = 3.615(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.8977e-01 1.A140 CA = 52.291(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6808e-01 1.A140 CB = 19.105(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.5860e-01 1.A140 HA = 4.357(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.2552e-01 1.A140 HB1 = 1.394(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6562e-01 1.A140 HB2 = 1.394(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6562e-01 1.A140 HB3 = 1.394(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6562e-01 1.E141 CA = 56.590(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2688e-01 1.E141 CB = 31.912(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.6881e-01 1.E141 HA = 4.470(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.9155e-01 1.E141 HB2 = 1.849(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.1548e-01 1.E141 HB3 = 2.006(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.4454e-01 1.E141 HG2 = 2.522(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.3014e-01 1.E141 HG3 = 2.522(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.1632e-01 1.Y142 CA = 58.547(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.6805e-01 1.Y142 CB = 38.945(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.6217e-01 1.Y142 CD1 = 131.954(D), Expected = 132.77, Std = 1.1700, ChiSquare = 4.8553e-01 1.Y142 CD2 = 131.954(D), Expected = 132.73, Std = 1.3000, ChiSquare = 5.5056e-01 1.Y142 H = 8.558(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.4440e-01 1.Y142 HA = 3.959(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.3083e-01 1.Y142 HB2 = 2.767(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.9914e-01 1.Y142 HB3 = 3.212(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.4016e-01 1.Y142 HD1 = 7.047(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.9654e-01 1.Y142 HD2 = 7.047(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.9654e-01 1.Y142 HE1 = 6.870(D), Expected = 6.70, Std = 0.2300, ChiSquare = 4.5983e-01 1.Y142 HE2 = 6.870(D), Expected = 6.71, Std = 0.2300, ChiSquare = 4.8665e-01 1.Y142 N = 123.230(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.1877e-01 1.L143 CA = 56.017(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.5214e-01 1.L143 CD1 = 25.880(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.6566e-01 1.L143 CD2 = 24.779(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.6805e-01 1.L143 H = 7.965(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8350e-01 1.L143 HA = 4.236(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.5815e-01 1.L143 HD11 = 0.827(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.8332e-01 1.L143 HD12 = 0.827(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.8332e-01 1.L143 HD13 = 0.827(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.8332e-01 1.L143 HD21 = 0.984(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8111e-01 1.L143 HD22 = 0.984(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8111e-01 1.L143 HD23 = 0.984(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8111e-01 1.L143 N = 117.483(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6173e-01 1.S144 H = 9.281(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9770e-02 1.S144 HA = 4.665(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.4372e-01 1.S144 HB2 = 3.826(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.2899e-01 1.S144 HB3 = 3.983(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.2230e-01 1.S144 HG = 5.593(D), Expected = 5.36, Std = 1.0300, ChiSquare = 8.2104e-01 1.S144 N = 116.859(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6935e-01 1.W145 CA = 54.449(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.1329e-01 1.W145 CD1 = 126.576(D), Expected = 126.51, Std = 1.8300, ChiSquare = 9.7123e-01 1.W145 CZ2 = 114.180(D), Expected = 114.26, Std = 1.1200, ChiSquare = 9.4306e-01 1.W145 CH2 = 124.043(D), Expected = 123.86, Std = 1.4200, ChiSquare = 8.9746e-01 1.W145 H = 7.962(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.7800e-01 1.W145 HA = 6.103(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.2550e-03 1.W145 HB2 = 2.862(D), Expected = 3.19, Std = 0.3500, ChiSquare = 3.4869e-01 1.W145 HB3 = 2.862(D), Expected = 3.12, Std = 0.3600, ChiSquare = 4.7358e-01 1.W145 HD1 = 7.052(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.0689e-01 1.W145 HE1 = 10.213(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.4030e-01 1.W145 HE3 = 7.638(D), Expected = 7.31, Std = 0.4100, ChiSquare = 4.2371e-01 1.W145 HZ2 = 7.359(D), Expected = 7.28, Std = 0.3300, ChiSquare = 8.1080e-01 1.W145 HZ3 = 6.804(D), Expected = 6.86, Std = 0.4000, ChiSquare = 8.8866e-01 1.W145 HH2 = 7.064(D), Expected = 6.98, Std = 0.3900, ChiSquare = 8.2947e-01 1.W145 N = 114.471(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.4592e-02 1.W145 NE1 = 129.338(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.9319e-01 1.E146 CA = 54.751(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1900e-01 1.E146 H = 8.822(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.0434e-01 1.E146 HA = 4.392(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.2909e-01 1.E146 HB2 = 1.892(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.4218e-01 1.E146 HB3 = 1.892(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.7004e-01 1.E146 N = 117.983(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.4004e-01 1.V147 CA = 62.000(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.6397e-01 1.V147 CB = 32.364(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.3799e-01 1.V147 CG1 = 21.199(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.3057e-01 1.V147 CG2 = 22.096(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.9203e-01 1.V147 H = 8.740(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0181e-01 1.V147 HA = 4.804(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.8977e-01 1.V147 HB = 2.009(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.2779e-01 1.V147 HG11 = 0.967(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9825e-01 1.V147 HG12 = 0.967(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9825e-01 1.V147 HG13 = 0.967(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9825e-01 1.V147 HG21 = 1.024(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.2371e-01 1.V147 HG22 = 1.024(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.2371e-01 1.V147 HG23 = 1.024(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.2371e-01 1.V147 N = 123.791(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5927e-01 1.T148 CA = 60.000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.9137e-01 1.T148 CB = 70.194(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.7590e-01 1.T148 CG2 = 21.576(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.8131e-01 1.T148 H = 8.540(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.2848e-01 1.T148 HA = 4.681(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.4522e-01 1.T148 HB = 4.163(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.8308e-01 1.T148 HG21 = 1.061(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3124e-01 1.T148 HG22 = 1.061(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3124e-01 1.T148 HG23 = 1.061(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3124e-01 1.T148 N = 120.675(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.6859e-01 1.G149 CA = 45.937(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6134e-01 1.G149 H = 8.486(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1033e-01 1.G149 HA2 = 3.940(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3538e-01 1.G149 HA3 = 3.868(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3108e-01 1.G149 N = 111.830(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7675e-01 1.E150 CA = 58.475(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8052e-01 1.E150 CB = 29.326(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9087e-01 1.E150 CG = 36.446(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.7767e-01 1.E150 H = 8.404(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0019e-01 1.E150 HA = 4.152(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1109e-01 1.E150 HB2 = 2.087(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.4969e-01 1.E150 HB3 = 2.081(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.9236e-01 1.E150 HG2 = 2.270(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.0000e+00 1.E150 HG3 = 2.266(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.4202e-01 1.E150 N = 118.793(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8963e-01 1.S151 CA = 58.075(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.5535e-01 1.S151 CB = 63.519(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4942e-01 1.S151 H = 8.299(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7431e-01 1.S151 HA = 4.449(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.3823e-01 1.S151 HB2 = 4.098(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.8321e-01 1.S151 HB3 = 3.953(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.0285e-01 1.S151 N = 111.262(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.5399e-01 1.N152 CA = 51.598(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.0161e-01 1.N152 CB = 40.052(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.2029e-01 1.N152 H = 7.791(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.8352e-01 1.N152 HA = 5.468(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.6646e-02 1.N152 HB2 = 3.036(D), Expected = 2.81, Std = 0.3100, ChiSquare = 4.6598e-01 1.N152 HB3 = 2.616(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.8470e-01 1.N152 HD21 = 7.416(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.9064e-01 1.N152 HD22 = 7.154(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.7721e-01 1.N152 N = 117.904(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.9904e-01 1.N152 ND2 = 113.927(D), Expected = 112.75, Std = 2.2300, ChiSquare = 5.9764e-01 1.V153 CA = 61.680(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7701e-01 1.V153 CB = 35.645(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.0342e-01 1.V153 CG1 = 21.858(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.8671e-01 1.V153 CG2 = 21.508(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.7369e-01 1.V153 H = 8.794(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.5191e-01 1.V153 HA = 4.626(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.5222e-01 1.V153 HB = 1.570(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.0011e-01 1.V153 HG11 = 0.184(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2969e-02 1.V153 HG12 = 0.184(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2969e-02 1.V153 HG13 = 0.184(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2969e-02 1.V153 HG21 = 0.600(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.7505e-01 1.V153 HG22 = 0.600(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.7505e-01 1.V153 HG23 = 0.600(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.7505e-01 1.V153 N = 121.158(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9684e-01 1.L154 CD1 = 24.238(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.6178e-01 1.L154 CD2 = 26.254(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.9481e-01 1.L154 H = 9.188(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4052e-01 1.L154 HA = 5.278(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.1520e-02 1.L154 HD11 = 0.851(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1831e-01 1.L154 HD12 = 0.851(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1831e-01 1.L154 HD13 = 0.851(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1831e-01 1.L154 HD21 = 0.807(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9061e-01 1.L154 HD22 = 0.807(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9061e-01 1.L154 HD23 = 0.807(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9061e-01 1.L154 N = 129.913(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8935e-02 1.L155 CA = 53.947(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3219e-01 1.L155 CG = 27.913(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.0301e-01 1.L155 CD1 = 25.030(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.4542e-01 1.L155 CD2 = 26.037(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.4247e-01 1.L155 H = 9.112(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.7481e-01 1.L155 HA = 5.261(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.5271e-02 1.L155 HG = 1.529(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.5409e-01 1.L155 HD11 = 0.667(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.6690e-01 1.L155 HD12 = 0.667(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.6690e-01 1.L155 HD13 = 0.667(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.6690e-01 1.L155 HD21 = 0.524(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7749e-01 1.L155 HD22 = 0.524(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7749e-01 1.L155 HD23 = 0.524(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7749e-01 1.L155 N = 127.500(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4813e-01 1.K156 CA = 54.494(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6427e-01 1.K156 CB = 36.842(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.2822e-02 1.K156 CG = 24.816(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.4779e-01 1.K156 H = 8.759(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.4296e-01 1.K156 HA = 5.492(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.4817e-03 1.K156 HB2 = 1.590(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.4725e-01 1.K156 HB3 = 1.593(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.8614e-01 1.K156 HG2 = 1.491(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.4166e-01 1.K156 HG3 = 1.491(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.1456e-01 1.K156 N = 118.647(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2386e-01 1.C157 H = 8.675(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.7056e-01 1.C157 HA = 4.679(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.7244e-01 1.C157 HB2 = 3.005(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.1854e-01 1.C157 HB3 = 3.005(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.0259e-01 1.C157 HG = 2.366(D), Expected = 1.98, Std = 1.3800, ChiSquare = 7.7970e-01 1.C157 N = 114.800(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.4714e-01 1.K158 H = 8.720(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7706e-01 1.K158 HA = 4.638(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.0295e-01 1.K158 N = 119.772(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3462e-01 1.V159 CA = 59.438(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8591e-01 1.V159 CB = 33.832(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.3813e-01 1.V159 CG1 = 19.006(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.7780e-02 1.V159 CG2 = 23.064(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.4751e-01 1.V159 H = 9.323(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2312e-01 1.V159 HA = 4.585(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.9585e-01 1.V159 HB = 1.663(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.2187e-01 1.V159 HG11 = 0.659(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1074e-01 1.V159 HG12 = 0.659(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1074e-01 1.V159 HG13 = 0.659(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1074e-01 1.V159 HG21 = 0.571(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1344e-01 1.V159 HG22 = 0.571(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1344e-01 1.V159 HG23 = 0.571(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1344e-01 1.V159 N = 121.477(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4083e-01 1.A160 CA = 50.544(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8982e-01 1.A160 CB = 22.649(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.6754e-02 1.A160 H = 8.706(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9904e-01 1.A160 HA = 4.660(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.6330e-01 1.A160 HB1 = 0.660(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9580e-03 1.A160 HB2 = 0.660(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9580e-03 1.A160 HB3 = 0.660(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9580e-03 1.A160 N = 124.142(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9669e-01 1.N161 H = 8.448(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6389e-01 1.N161 HB2 = 2.919(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.2513e-01 1.N161 HB3 = 2.919(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.0857e-01 1.N161 HD21 = 6.576(D), Expected = 7.35, Std = 0.4800, ChiSquare = 1.0685e-01 1.N161 HD22 = 6.293(D), Expected = 7.14, Std = 0.4900, ChiSquare = 8.3886e-02 1.N161 N = 116.719(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.8326e-01 1.N161 ND2 = 109.827(D), Expected = 112.75, Std = 2.2300, ChiSquare = 1.8994e-01 1.I162 CG2 = 18.668(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.0273e-01 1.I162 CD1 = 12.870(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.3738e-01 1.I162 HA = 4.216(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.4874e-01 1.I162 HB = 1.868(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.6155e-01 1.I162 HG21 = 0.616(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6843e-01 1.I162 HG22 = 0.616(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6843e-01 1.I162 HG23 = 0.616(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6843e-01 1.I162 HD11 = 0.465(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5846e-01 1.I162 HD12 = 0.465(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5846e-01 1.I162 HD13 = 0.465(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5846e-01 1.E165 H = 8.768(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.5786e-01 1.E165 HA = 4.204(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1067e-01 1.E165 HB2 = 1.981(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.5267e-01 1.E165 HB3 = 1.975(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.4800e-01 1.E165 HG2 = 2.187(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.9267e-01 1.E165 HG3 = 2.187(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.7460e-01 1.E165 N = 112.895(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5470e-02 1.T166 CG2 = 22.373(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.5843e-01 1.T166 H = 8.033(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.3848e-01 1.T166 HA = 3.998(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.3580e-01 1.T166 HG21 = 1.084(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0763e-01 1.T166 HG22 = 1.084(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0763e-01 1.T166 HG23 = 1.084(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0763e-01 1.T166 N = 119.761(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.6077e-01 1.H167 CA = 55.370(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.1860e-01 1.H167 H = 9.316(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.1357e-01 1.H167 HA = 4.969(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.0378e-01 1.H167 HB2 = 3.035(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.5672e-01 1.H167 HB3 = 3.091(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.9324e-01 1.H167 N = 128.576(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.6317e-02 1.I168 CB = 38.832(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.2034e-01 1.I168 CG2 = 15.362(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.1091e-01 1.I168 CD1 = 13.381(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.7659e-01 1.I168 H = 8.682(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.5440e-01 1.I168 HA = 4.916(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.8875e-01 1.I168 HB = 1.892(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.9934e-01 1.I168 HG21 = 0.600(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2894e-01 1.I168 HG22 = 0.600(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2894e-01 1.I168 HG23 = 0.600(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2894e-01 1.I168 HD11 = 0.447(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2172e-01 1.I168 HD12 = 0.447(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2172e-01 1.I168 HD13 = 0.447(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2172e-01 1.I168 N = 126.296(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5852e-01 1.V169 CG1 = 21.789(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.2599e-01 1.V169 CG2 = 21.577(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.3897e-01 1.V169 H = 8.367(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0850e-01 1.V169 HA = 4.758(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.2743e-01 1.V169 HG11 = 0.696(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V169 HG12 = 0.696(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V169 HG13 = 0.696(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V169 HG21 = 0.909(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.9706e-01 1.V169 HG22 = 0.909(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.9706e-01 1.V169 HG23 = 0.909(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.9706e-01 1.V169 N = 126.375(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.4888e-01 1.W170 CD1 = 126.496(D), Expected = 126.51, Std = 1.8300, ChiSquare = 9.9390e-01 1.W170 CZ2 = 114.368(D), Expected = 114.26, Std = 1.1200, ChiSquare = 9.2318e-01 1.W170 CH2 = 124.111(D), Expected = 123.86, Std = 1.4200, ChiSquare = 8.5970e-01 1.W170 H = 8.989(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.7626e-01 1.W170 HB2 = 3.084(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.6200e-01 1.W170 HB3 = 3.047(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.3931e-01 1.W170 HD1 = 7.023(D), Expected = 7.14, Std = 0.3600, ChiSquare = 7.4518e-01 1.W170 HE1 = 10.215(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.3793e-01 1.W170 HE3 = 7.610(D), Expected = 7.31, Std = 0.4100, ChiSquare = 4.6435e-01 1.W170 HZ2 = 7.367(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.9206e-01 1.W170 HZ3 = 6.982(D), Expected = 6.86, Std = 0.4000, ChiSquare = 7.6037e-01 1.W170 HH2 = 7.127(D), Expected = 6.98, Std = 0.3900, ChiSquare = 7.0623e-01 1.W170 N = 125.595(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.4896e-01 1.W170 NE1 = 129.402(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.6900e-01 1.Y171 CB = 43.620(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.6509e-02 1.Y171 CD1 = 132.540(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.4416e-01 1.Y171 CD2 = 132.540(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.8380e-01 1.Y171 CE1 = 118.939(D), Expected = 117.93, Std = 1.1900, ChiSquare = 3.9649e-01 1.Y171 CE2 = 118.939(D), Expected = 117.90, Std = 1.1800, ChiSquare = 3.7858e-01 1.Y171 H = 10.072(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.6395e-02 1.Y171 HA = 5.334(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.0870e-01 1.Y171 HB2 = 2.923(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.7197e-01 1.Y171 HB3 = 2.529(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.2520e-01 1.Y171 HD1 = 6.731(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.0712e-01 1.Y171 HD2 = 6.731(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.0712e-01 1.Y171 HE1 = 6.721(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.2725e-01 1.Y171 HE2 = 6.721(D), Expected = 6.71, Std = 0.2300, ChiSquare = 9.6186e-01 1.Y171 N = 120.619(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.8119e-01 1.K172 CG = 24.739(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.9370e-01 1.K172 H = 8.894(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4066e-01 1.K172 HA = 4.677(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.5497e-01 1.K172 HB2 = 1.934(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.3789e-01 1.K172 HB3 = 1.934(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.7244e-01 1.K172 HG2 = 1.388(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.4481e-01 1.K172 HG3 = 1.388(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.9205e-01 1.K172 HD2 = 1.550(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.8506e-01 1.K172 HD3 = 1.550(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.2021e-01 1.K172 HZ1 = 7.522(U) 1.K172 HZ2 = 7.522(U) 1.K172 HZ3 = 7.522(U) 1.K172 N = 119.957(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.7188e-01 1.D173 H = 9.891(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.4134e-03 1.D173 HA = 4.378(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.0765e-01 1.D173 HB2 = 2.851(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.1437e-01 1.D173 HB3 = 2.677(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.5159e-01 1.D173 N = 130.593(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.9978e-03 1.E174 CA = 58.145(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9304e-01 1.E174 H = 9.099(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.9244e-01 1.E174 HA = 3.633(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.3236e-01 1.E174 HB2 = 2.164(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.9289e-01 1.E174 HB3 = 2.164(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.4934e-01 1.E174 N = 107.850(S), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2969e-04 1.R175 CG = 27.296(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.4287e-01 1.R175 H = 8.206(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.5555e-01 1.R175 HA = 4.792(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.8482e-01 1.R175 HB2 = 1.912(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.5138e-01 1.R175 HB3 = 1.750(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.7151e-01 1.R175 HG2 = 1.641(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.9258e-01 1.R175 HG3 = 1.641(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.2763e-01 1.R175 HE = 7.183(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.3051e-01 1.R175 HH21 = 6.807(D), Expected = 6.81, Std = 0.4800, ChiSquare = 9.9501e-01 1.R175 N = 121.709(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0490e-01 1.E176 H = 9.011(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4840e-01 1.E176 HA = 3.789(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.6085e-01 1.E176 N = 126.877(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4485e-02 1.I177 CB = 40.740(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.9623e-01 1.I177 CG2 = 18.070(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.9132e-01 1.I177 CD1 = 14.397(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.6256e-01 1.I177 H = 9.160(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9562e-01 1.I177 HA = 4.655(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.9632e-01 1.I177 HB = 1.948(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.6238e-01 1.I177 HG12 = 1.530(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.3197e-01 1.I177 HG13 = 1.530(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.0695e-01 1.I177 HG21 = 0.974(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 1.I177 HG22 = 0.974(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 1.I177 HG23 = 0.974(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 1.I177 HD11 = 1.001(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6834e-01 1.I177 HD12 = 1.001(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6834e-01 1.I177 HD13 = 1.001(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6834e-01 1.I177 N = 121.210(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5342e-01 1.V179 CB = 34.179(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.1823e-01 1.V179 CG1 = 21.198(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.3000e-01 1.V179 CG2 = 21.196(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.6728e-01 1.V179 H = 8.384(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8842e-01 1.V179 HB = 2.068(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.8332e-01 1.V179 HG11 = 0.965(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0360e-01 1.V179 HG12 = 0.965(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0360e-01 1.V179 HG13 = 0.965(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0360e-01 1.V179 HG21 = 0.966(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.5328e-01 1.V179 HG22 = 0.966(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.5328e-01 1.V179 HG23 = 0.966(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.5328e-01 1.V179 N = 125.871(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9738e-01 1.D180 H = 8.759(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.3885e-01 1.D180 N = 127.028(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8467e-02 1.E181 H = 8.755(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.7132e-01 1.E181 N = 124.598(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5901e-01 1.K182 CG = 24.675(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.4910e-01 1.K182 H = 8.311(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4018e-01 1.K182 HB2 = 1.784(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.8723e-01 1.K182 HB3 = 1.784(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.7055e-01 1.K182 HG2 = 1.457(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.3792e-01 1.K182 HG3 = 1.457(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.0236e-01 1.K182 N = 120.610(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0709e-01 1.G188 H = 8.188(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2707e-01 1.G188 N = 105.612(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9437e-01 1.I189 CB = 37.602(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.1081e-01 1.I189 CG1 = 27.519(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.0948e-01 1.I189 CG2 = 17.438(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.4607e-01 1.I189 CD1 = 12.049(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.0827e-01 1.I189 H = 7.874(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.5047e-01 1.I189 HB = 1.928(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.0981e-01 1.I189 HG12 = 1.540(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.1569e-01 1.I189 HG13 = 1.152(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.2616e-01 1.I189 HG21 = 0.883(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7557e-01 1.I189 HG22 = 0.883(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7557e-01 1.I189 HG23 = 0.883(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7557e-01 1.I189 HD11 = 0.791(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.0190e-01 1.I189 HD12 = 0.791(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.0190e-01 1.I189 HD13 = 0.791(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.0190e-01 1.I189 N = 120.706(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6016e-01 1.C190 HA = 4.576(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.7861e-01 1.T191 CA = 59.046(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2039e-01 1.T191 CB = 73.864(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.1206e-02 1.T191 CG2 = 21.889(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.6006e-01 1.T191 H = 8.523(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4807e-01 1.T191 HA = 5.821(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.5766e-03 1.T191 HB = 4.221(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.7718e-01 1.T191 HG21 = 1.163(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.2034e-01 1.T191 HG22 = 1.163(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.2034e-01 1.T191 HG23 = 1.163(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.2034e-01 1.T191 N = 114.492(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4510e-01 1.L192 CA = 54.923(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.4349e-01 1.L192 CG = 27.111(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.6348e-01 1.L192 CD1 = 25.706(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.3518e-01 1.L192 CD2 = 23.467(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.3164e-01 1.L192 H = 8.292(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2401e-01 1.L192 HA = 3.912(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.8535e-01 1.L192 HB2 = 1.710(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.6867e-01 1.L192 HB3 = 1.710(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.9765e-01 1.L192 HG = 0.883(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.7433e-02 1.L192 HD11 = 0.394(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0358e-01 1.L192 HD12 = 0.394(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0358e-01 1.L192 HD13 = 0.394(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0358e-01 1.L192 HD21 = 0.283(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2322e-01 1.L192 HD22 = 0.283(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2322e-01 1.L192 HD23 = 0.283(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2322e-01 1.L192 N = 121.998(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7177e-01 1.L193 CG = 27.032(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.1880e-01 1.L193 CD1 = 23.475(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.3362e-01 1.L193 CD2 = 26.035(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.4295e-01 1.L193 H = 8.263(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5951e-01 1.L193 HA = 4.825(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.8261e-01 1.L193 HG = 1.231(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.9786e-01 1.L193 HD11 = 0.750(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0000e+00 1.L193 HD12 = 0.750(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0000e+00 1.L193 HD13 = 0.750(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0000e+00 1.L193 HD21 = 0.774(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7940e-01 1.L193 HD22 = 0.774(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7940e-01 1.L193 HD23 = 0.774(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7940e-01 1.L193 N = 128.649(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1724e-02 1.I194 CA = 60.479(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.7301e-01 1.I194 CB = 38.410(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.1327e-01 1.I194 CG1 = 26.255(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.8645e-01 1.I194 CG2 = 18.529(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.6261e-01 1.I194 CD1 = 13.232(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.0562e-01 1.I194 H = 9.646(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4556e-02 1.I194 HA = 4.241(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.1326e-01 1.I194 HB = 2.011(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.2571e-01 1.I194 HG12 = 0.928(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.7886e-01 1.I194 HG13 = 1.333(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.2725e-01 1.I194 HG21 = 0.883(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7557e-01 1.I194 HG22 = 0.883(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7557e-01 1.I194 HG23 = 0.883(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7557e-01 1.I194 HD11 = 0.630(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6311e-01 1.I194 HD12 = 0.630(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6311e-01 1.I194 HD13 = 0.630(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6311e-01 1.I194 N = 130.673(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.1352e-02 1.T195 CA = 61.064(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.5536e-01 1.T195 CB = 69.638(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5499e-01 1.T195 CG2 = 22.005(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.8187e-01 1.T195 H = 8.234(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.9228e-01 1.T195 HA = 4.442(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.7009e-01 1.T195 HB = 4.090(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.0845e-01 1.T195 HG21 = 1.114(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.1000e-01 1.T195 HG22 = 1.114(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.1000e-01 1.T195 HG23 = 1.114(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.1000e-01 1.T195 N = 120.028(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.3199e-01 1.E196 CA = 56.469(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8388e-01 1.E196 CB = 27.211(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0367e-01 1.E196 H = 8.704(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.2615e-01 1.E196 HA = 3.846(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.2444e-01 1.E196 HB2 = 2.022(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.9240e-01 1.E196 HB3 = 2.191(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.8217e-01 1.E196 N = 121.121(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9688e-01 1.F197 CA = 59.446(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.9506e-01 1.F197 CE1 = 131.649(D), Expected = 130.71, Std = 1.3000, ChiSquare = 4.7011e-01 1.F197 CE2 = 131.649(D), Expected = 130.76, Std = 1.1300, ChiSquare = 4.3144e-01 1.F197 H = 7.903(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.2561e-01 1.F197 HA = 4.084(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.3812e-01 1.F197 HB2 = 3.069(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.5206e-01 1.F197 HB3 = 2.845(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.3172e-01 1.F197 HD1 = 6.772(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.5287e-01 1.F197 HD2 = 6.772(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.5287e-01 1.F197 HE1 = 7.354(D), Expected = 7.08, Std = 0.3100, ChiSquare = 3.7677e-01 1.F197 HE2 = 7.354(D), Expected = 7.08, Std = 0.3200, ChiSquare = 3.9186e-01 1.F197 HZ = 7.341(D), Expected = 7.00, Std = 0.4200, ChiSquare = 4.1685e-01 1.F197 N = 120.213(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.5479e-01 1.S198 CB = 66.004(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.3644e-01 1.S198 H = 9.050(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9186e-01 1.S198 HA = 4.747(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.0445e-01 1.S198 HB2 = 3.857(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.2670e-01 1.S198 HB3 = 3.857(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7932e-01 1.S198 N = 125.595(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1376e-03 1.K199 CA = 59.926(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7614e-01 1.K199 H = 8.456(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5752e-01 1.K199 HA = 3.855(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.4559e-01 1.K199 HB2 = 1.798(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.4260e-01 1.K199 HB3 = 1.826(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.5009e-01 1.K199 HG2 = 1.484(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.6105e-01 1.K199 HG3 = 1.484(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.3224e-01 1.K199 N = 120.279(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3796e-01 1.K200 CA = 58.241(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.5733e-01 1.K200 H = 7.795(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1032e-01 1.K200 HA = 4.109(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1443e-01 1.K200 N = 116.762(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5537e-01 1.D201 H = 7.864(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4191e-01 1.D201 HA = 4.415(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.8446e-01 1.D201 HB2 = 2.968(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.4016e-01 1.D201 HB3 = 2.968(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.7133e-01 1.D201 N = 117.365(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.9475e-01 1.A202 CA = 52.924(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.1313e-01 1.A202 CB = 19.242(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9912e-01 1.A202 H = 7.327(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4567e-01 1.A202 HA = 4.420(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.1613e-01 1.A202 HB1 = 1.552(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3720e-01 1.A202 HB2 = 1.552(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3720e-01 1.A202 HB3 = 1.552(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3720e-01 1.A202 N = 124.121(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0128e-01 1.G203 H = 8.507(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8539e-01 1.G203 HA2 = 3.845(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.3549e-01 1.G203 HA3 = 3.845(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8183e-01 1.G203 N = 108.964(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5525e-01 1.F204 CA = 57.713(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.8645e-01 1.F204 CD1 = 131.452(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.1362e-01 1.F204 CD2 = 131.452(D), Expected = 131.63, Std = 1.1200, ChiSquare = 8.7373e-01 1.F204 CE1 = 131.484(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.5159e-01 1.F204 CE2 = 131.484(D), Expected = 130.76, Std = 1.1300, ChiSquare = 5.2171e-01 1.F204 H = 9.046(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4070e-01 1.F204 HA = 5.120(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.8998e-01 1.F204 HB2 = 2.820(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.2662e-01 1.F204 HB3 = 3.020(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.2198e-01 1.F204 HD1 = 7.181(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.9630e-01 1.F204 HD2 = 7.181(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.9630e-01 1.F204 HE1 = 7.351(D), Expected = 7.08, Std = 0.3100, ChiSquare = 3.8201e-01 1.F204 HE2 = 7.351(D), Expected = 7.08, Std = 0.3200, ChiSquare = 3.9707e-01 1.F204 N = 120.096(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.3251e-01 1.Y205 CA = 57.242(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.2350e-01 1.Y205 H = 9.475(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.1361e-01 1.Y205 HA = 5.539(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.0454e-01 1.Y205 HD1 = 7.109(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.5073e-01 1.Y205 HD2 = 7.109(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.5073e-01 1.Y205 HE1 = 6.823(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.9280e-01 1.Y205 HE2 = 6.823(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.2321e-01 1.Y205 HH = -0.788(A), Expected = 9.30, Std = 1.3600, ChiSquare = 1.1922e-13 1.Y205 N = 126.174(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7824e-01 1.E206 CA = 54.322(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5144e-01 1.E206 H = 9.200(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4033e-01 1.E206 HA = 5.555(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.4579e-03 1.E206 HB2 = 2.183(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.3764e-01 1.E206 HB3 = 2.193(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.7745e-01 1.E206 HG2 = 2.510(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.5310e-01 1.E206 HG3 = 2.510(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.3728e-01 1.E206 N = 121.075(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0735e-01 1.V207 CA = 59.428(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8434e-01 1.V207 CG1 = 20.016(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.7844e-01 1.V207 CG2 = 20.568(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.5734e-01 1.V207 H = 8.563(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8367e-01 1.V207 HA = 5.270(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.2594e-02 1.V207 HG11 = 0.440(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.3361e-01 1.V207 HG12 = 0.440(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.3361e-01 1.V207 HG13 = 0.440(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.3361e-01 1.V207 HG21 = -0.262(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4892e-04 1.V207 HG22 = -0.262(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4892e-04 1.V207 HG23 = -0.262(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4892e-04 1.V207 N = 122.907(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9712e-01 1.I208 CG1 = 28.248(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.4879e-01 1.I208 CG2 = 17.827(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.2713e-01 1.I208 CD1 = 13.392(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.8185e-01 1.I208 H = 8.872(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.8398e-01 1.I208 HA = 5.097(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.0153e-01 1.I208 HB = 1.920(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.2927e-01 1.I208 HG12 = 1.674(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.2462e-01 1.I208 HG13 = 1.168(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.5721e-01 1.I208 HG21 = 0.968(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6336e-01 1.I208 HG22 = 0.968(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6336e-01 1.I208 HG23 = 0.968(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6336e-01 1.I208 HD11 = 0.764(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.7208e-01 1.I208 HD12 = 0.764(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.7208e-01 1.I208 HD13 = 0.764(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.7208e-01 1.I208 N = 125.175(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8540e-01 1.L209 CD1 = 24.325(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.0380e-01 1.L209 CD2 = 24.291(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.8727e-01 1.L209 H = 8.442(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4431e-01 1.L209 HA = 5.321(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3189e-02 1.L209 HB2 = 1.707(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.7542e-01 1.L209 HB3 = 1.707(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.0345e-01 1.L209 HG = 1.118(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.3488e-01 1.L209 HD11 = -0.459(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.5755e-05 1.L209 HD12 = -0.459(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.5755e-05 1.L209 HD13 = -0.459(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.5755e-05 1.L209 HD21 = 0.383(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.3148e-01 1.L209 HD22 = 0.383(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.3148e-01 1.L209 HD23 = 0.383(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.3148e-01 1.L209 N = 124.036(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7688e-01 1.K210 H = 8.715(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8157e-01 1.K210 HA = 5.362(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.3071e-02 1.K210 HB2 = 1.852(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.7335e-01 1.K210 HB3 = 1.852(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.7828e-01 1.K210 N = 118.618(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1887e-01 1.D211 H = 8.924(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.8977e-01 1.D211 HA = 4.768(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.7804e-01 1.D211 N = 121.635(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9858e-01 1.D212 CB = 40.257(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.0056e-01 1.D212 H = 8.955(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.6611e-01 1.D212 HA = 4.350(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.5325e-01 1.D212 HB2 = 2.976(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.2481e-01 1.D212 HB3 = 2.976(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.5908e-01 1.D212 N = 117.089(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.5625e-01 1.R213 CA = 56.408(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.7547e-01 1.R213 H = 9.445(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.8222e-02 1.R213 HA = 4.278(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.6186e-01 1.R213 HB2 = 1.930(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.0410e-01 1.R213 HB3 = 1.844(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.6418e-01 1.R213 HG2 = 1.649(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.6983e-01 1.R213 HG3 = 1.649(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.0702e-01 1.R213 HD2 = 3.189(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.7373e-01 1.R213 HD3 = 3.189(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.3212e-01 1.R213 N = 118.310(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9864e-01 1.G214 CA = 45.144(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7782e-01 1.G214 H = 7.506(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0491e-01 1.G214 HA2 = 3.863(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.7244e-01 1.G214 HA3 = 4.469(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.2409e-01 1.G214 N = 104.708(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.9978e-01 1.K215 CA = 54.208(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1263e-01 1.K215 CB = 36.655(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.9905e-02 1.K215 H = 7.873(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9727e-01 1.K215 HA = 5.656(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6327e-03 1.K215 HB2 = 1.860(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.4897e-01 1.K215 HB3 = 1.861(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.5405e-01 1.K215 N = 116.830(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.6299e-01 1.D216 CA = 52.661(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.1755e-01 1.D216 CB = 45.571(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.7834e-03 1.D216 H = 9.056(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.9837e-01 1.D216 HA = 5.342(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.8773e-02 1.D216 HB2 = 3.129(D), Expected = 2.72, Std = 0.2600, ChiSquare = 1.1570e-01 1.D216 HB3 = 3.173(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.6930e-02 1.D216 N = 121.716(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.8242e-01 1.K217 CA = 55.549(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.2424e-01 1.K217 CB = 36.689(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.8492e-02 1.K217 H = 8.643(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.5025e-01 1.K217 HA = 5.710(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.0652e-03 1.K217 HB2 = 1.349(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.4708e-02 1.K217 HB3 = 1.781(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.7930e-01 1.K217 N = 120.147(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1070e-01 1.S218 CA = 55.818(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.6094e-01 1.S218 CB = 64.137(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.1988e-01 1.S218 H = 8.391(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.5077e-01 1.S218 HA = 4.531(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.9854e-01 1.S218 HB2 = 3.897(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.4579e-01 1.S218 HB3 = 3.897(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.6181e-01 1.S218 HG = 5.549(D), Expected = 5.36, Std = 1.0300, ChiSquare = 8.5441e-01 1.S218 N = 116.234(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.8957e-01 1.R219 CA = 54.747(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.8116e-01 1.R219 CG = 27.502(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.0775e-01 1.R219 H = 8.344(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6462e-01 1.R219 HA = 5.549(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.6232e-03 1.R219 HB2 = 1.828(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.8807e-01 1.R219 HB3 = 1.828(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.0812e-01 1.R219 HG2 = 1.624(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.4148e-01 1.R219 HG3 = 1.693(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.9779e-01 1.R219 N = 126.715(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.0798e-01 1.L220 CA = 54.714(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7058e-01 1.L220 CB = 47.362(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2046e-03 1.L220 CG = 27.135(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.4690e-01 1.L220 CD1 = 27.117(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.3167e-01 1.L220 CD2 = 23.851(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.0681e-01 1.L220 H = 9.587(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6826e-02 1.L220 HA = 4.679(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.4497e-01 1.L220 HB2 = 1.770(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.3793e-01 1.L220 HB3 = 1.520(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.0000e+00 1.L220 HG = 1.512(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.9516e-01 1.L220 HD11 = 0.891(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1456e-01 1.L220 HD12 = 0.891(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1456e-01 1.L220 HD13 = 0.891(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1456e-01 1.L220 HD21 = 1.080(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2747e-01 1.L220 HD22 = 1.080(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2747e-01 1.L220 HD23 = 1.080(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2747e-01 1.L220 N = 126.272(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5794e-01 1.K221 H = 8.832(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8462e-01 1.K221 HB2 = 1.788(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.7447e-01 1.K221 HB3 = 1.788(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.5890e-01 1.K221 HE2 = 2.869(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.8838e-01 1.K221 HE3 = 2.869(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.3757e-01 1.K221 N = 128.019(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.4524e-02 1.L222 CA = 53.623(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4847e-01 1.L222 CB = 42.927(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4277e-01 1.L222 CG = 27.044(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.1033e-01 1.L222 CD1 = 24.133(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.1199e-01 1.L222 CD2 = 24.178(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.3998e-01 1.L222 H = 8.859(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3320e-01 1.L222 HA = 4.490(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.1757e-01 1.L222 HB2 = 1.531(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.1626e-01 1.L222 HB3 = 1.629(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.6206e-01 1.L222 HG = 1.209(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.6171e-01 1.L222 HD11 = 0.110(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2271e-02 1.L222 HD12 = 0.110(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2271e-02 1.L222 HD13 = 0.110(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2271e-02 1.L222 HD21 = 0.106(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1419e-02 1.L222 HD22 = 0.106(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1419e-02 1.L222 HD23 = 0.106(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1419e-02 1.L222 N = 130.844(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1246e-02 1.V223 CA = 60.506(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8787e-01 1.V223 CB = 33.991(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.8114e-01 1.V223 CG1 = 19.651(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.7631e-01 1.V223 CG2 = 21.468(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.9393e-01 1.V223 H = 7.859(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2004e-01 1.V223 HA = 4.421(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.9043e-01 1.V223 HB = 2.154(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.8661e-01 1.V223 HG11 = 0.822(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7545e-01 1.V223 HG12 = 0.822(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7545e-01 1.V223 HG13 = 0.822(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7545e-01 1.V223 HG21 = 0.860(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3032e-01 1.V223 HG22 = 0.860(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3032e-01 1.V223 HG23 = 0.860(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3032e-01 1.V223 N = 118.930(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2641e-01 1.D224 CA = 55.650(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.3628e-01 1.D224 CB = 40.874(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9704e-01 1.D224 H = 8.537(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9552e-01 1.D224 HA = 4.388(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.2788e-01 1.D224 HB2 = 2.586(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.0628e-01 1.D224 HB3 = 2.586(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.9156e-01 1.D224 N = 121.660(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9358e-01 1.E225 CA = 58.087(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.1363e-01 1.E225 CB = 29.372(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.1069e-01 1.E225 CG = 36.432(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.8671e-01 1.E225 H = 8.618(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.2545e-01 1.E225 HA = 4.117(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.4564e-01 1.E225 HB2 = 2.022(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.9240e-01 1.E225 HB3 = 1.865(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.8680e-01 1.E225 HG2 = 2.257(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.5064e-01 1.E225 HG3 = 2.259(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.6737e-01 1.E225 N = 119.911(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2735e-01 1.A226 CA = 53.175(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.8590e-01 1.A226 CB = 18.530(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9309e-01 1.A226 H = 7.892(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0772e-01 1.A226 HA = 4.130(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.6765e-01 1.A226 HB1 = 1.082(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.0265e-01 1.A226 HB2 = 1.082(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.0265e-01 1.A226 HB3 = 1.082(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.0265e-01 1.A226 N = 121.882(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0336e-01 1.F227 CA = 57.514(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.2569e-01 1.F227 CB = 39.174(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.9622e-01 1.F227 CE1 = 131.597(D), Expected = 130.71, Std = 1.3000, ChiSquare = 4.9504e-01 1.F227 CE2 = 131.597(D), Expected = 130.76, Std = 1.1300, ChiSquare = 4.5887e-01 1.F227 H = 7.680(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4494e-01 1.F227 HA = 4.551(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.8977e-01 1.F227 HB2 = 3.154(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.7725e-01 1.F227 HB3 = 2.851(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.4344e-01 1.F227 HD1 = 7.038(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.4342e-01 1.F227 HD2 = 7.038(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.4342e-01 1.F227 HE1 = 6.806(D), Expected = 7.08, Std = 0.3100, ChiSquare = 3.7677e-01 1.F227 HE2 = 6.806(D), Expected = 7.08, Std = 0.3200, ChiSquare = 3.9186e-01 1.F227 N = 116.437(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.3703e-01 1.Q228 CA = 56.643(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.7279e-01 1.Q228 CB = 29.366(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2296e-01 1.Q228 CG = 33.763(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.9784e-01 1.Q228 H = 7.928(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2066e-01 1.Q228 HA = 4.216(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0232e-01 1.Q228 HB2 = 2.071(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.3306e-01 1.Q228 HB3 = 2.023(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.9145e-01 1.Q228 HG2 = 2.333(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.6160e-01 1.Q228 HG3 = 2.331(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.8757e-01 1.Q228 HE21 = 7.583(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.4593e-01 1.Q228 HE22 = 6.853(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.0428e-01 1.Q228 N = 120.173(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3734e-01 1.Q228 NE2 = 112.354(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.7841e-01 1.D229 CA = 54.707(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.9332e-01 1.D229 CB = 40.745(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3359e-01 1.D229 H = 8.360(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3130e-01 1.D229 HA = 4.597(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.8255e-01 1.D229 HB2 = 2.614(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.8350e-01 1.D229 HB3 = 2.766(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.0501e-01 1.D229 N = 119.811(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2793e-01 1.L230 CA = 55.134(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1951e-01 1.L230 CB = 42.461(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3598e-01 1.L230 CG = 26.988(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.5002e-01 1.L230 CD1 = 25.373(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.8130e-01 1.L230 CD2 = 23.328(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.7105e-01 1.L230 H = 7.981(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0166e-01 1.L230 HA = 4.386(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8832e-01 1.L230 HB2 = 1.665(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.7149e-01 1.L230 HB3 = 1.671(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.7489e-01 1.L230 HG = 1.662(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.4508e-01 1.L230 HD11 = 0.888(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2211e-01 1.L230 HD12 = 0.888(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2211e-01 1.L230 HD13 = 0.888(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2211e-01 1.L230 HD21 = 0.844(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.9424e-01 1.L230 HD22 = 0.844(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.9424e-01 1.L230 HD23 = 0.844(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.9424e-01 1.L230 N = 121.232(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7207e-01 1.M231 CA = 56.935(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.1142e-01 1.M231 CB = 33.920(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.7801e-01 1.M231 CG = 32.399(D), Expected = 32.01, Std = 1.2400, ChiSquare = 7.5374e-01 1.M231 CE = 16.969(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.4903e-01 1.M231 H = 7.774(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.1794e-01 1.M231 HA = 4.286(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.9615e-01 1.M231 HB2 = 2.108(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.1855e-01 1.M231 HB3 = 1.985(D), Expected = 1.99, Std = 0.3400, ChiSquare = 9.8827e-01 1.M231 HG2 = 2.511(D), Expected = 2.42, Std = 0.3500, ChiSquare = 7.9486e-01 1.M231 HG3 = 2.568(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.3948e-01 1.M231 HE1 = 2.056(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.1820e-01 1.M231 HE2 = 2.056(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.1820e-01 1.M231 HE3 = 2.056(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.1820e-01 1.M231 N = 125.345(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.4102e-01