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.M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.483(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.855(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 177.102(D) CA :: 63.319(D) CB :: 32.575(D) CG :: 27.806(D) CD :: 51.111(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.490(D) HB2 :: 2.329(D) HB3 :: 1.931(D) HG2 :: 2.068(D) HG3 :: 2.068(D) HD2 :: 3.883(D) HD3 :: 3.668(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.385(D) CA :: 62.629(D) CB :: 33.146(D) CG1 :: 21.102(D) CG2 :: 21.159(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.259(D) HA :: 4.117(D) HB :: 2.087(D) HG11 :: 0.977(D) HG12 :: 0.977(D) HG13 :: 0.977(D) HG21 :: 0.977(D) HG22 :: 0.977(D) HG23 :: 0.977(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.806(D) Ave N Shift Values>> N :: 121.02(4.96) 1.S6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.687(D) CA :: 58.340(D) CB :: 64.208(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.345(D) HA :: 4.479(D) HB2 :: 3.864(D) HB3 :: 3.864(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.332(D) Ave N Shift Values>> N :: 116.3(3.95) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 K 0.24 R 0.21 C 0.13 G 0.02 C Shift Assignments>> C :: 177.424(D) CA :: 55.495(D) CB :: 42.786(D) CD1 :: 25.338(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.334(D) HA :: 4.384(D) HB2 :: 1.637(D) HB3 :: 1.550(D) HD11 :: 0.938(D) HD12 :: 0.938(D) HD13 :: 0.938(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.942(D) Ave N Shift Values>> N :: 121.98(4.07) 1.S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.306(D) CA :: 58.696(D) CB :: 64.136(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.198(D) HA :: 4.407(D) HB2 :: 3.814(D) HB3 :: 3.814(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.070(D) Ave N Shift Values>> N :: 116.3(3.95) 1.Y9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.507(D) CA :: 58.236(D) CB :: 39.144(D) CD1 :: 133.342(D) CE1 :: 118.329(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.005(D) HA :: 4.547(D) HB2 :: 3.069(D) HB3 :: 2.952(D) HD1 :: 7.124(D) HD2 :: 7.124(D) HE1 :: 6.861(D) HE2 :: 6.861(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.102(D) Ave N Shift Values>> N :: 120.79(4.69) 1.R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.42 C 0.37 G 0.14 K 0.04 C Shift Assignments>> C :: 175.946(D) CA :: 56.102(D) CB :: 31.004(D) CG :: 26.854(D) CD :: 43.900(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.142(D) HA :: 4.302(D) HB2 :: 1.810(D) HB3 :: 1.710(D) HG2 :: 1.550(D) HG3 :: 1.550(D) HD2 :: 3.177(D) HD3 :: 3.177(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.105(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.C11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 N 0.26 C 0.12 L 0.11 F 0.07 Y 0.06 K 0.03 C Shift Assignments>> CA :: 53.192(D) CB :: 40.250(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.185(D) HA :: 4.952(D) HB2 :: 2.727(D) HB3 :: 3.164(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.511(D) Ave N Shift Values>> N :: 119.95(4.79) 1.P12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 177.980(D) CA :: 65.345(D) CB :: 32.575(D) CG :: 27.841(D) CD :: 51.225(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.315(D) HB2 :: 1.915(D) HB3 :: 2.364(D) HG2 :: 2.102(D) HG3 :: 2.102(D) HD2 :: 3.891(D) HD3 :: 3.891(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C13 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.719(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.047(D) Ave N Shift Values>> N :: 119.95(4.79) 1.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.42 C 0.39 K 0.09 G 0.08 C Shift Assignments>> C :: 175.097(D) CA :: 57.503(D) CB :: 31.289(D) CG :: 26.828(D) CD :: 43.485(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 4.028(D) HB2 :: 1.592(D) HB3 :: 1.528(D) HG2 :: 1.298(D) HG3 :: 1.197(D) HD2 :: 3.017(D) HD3 :: 3.017(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.F15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.41 F 0.32 C 0.26 C Shift Assignments>> C :: 174.292(D) CA :: 56.060(D) CB :: 41.122(D) CD1 :: 132.302(D) CE1 :: 131.789(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.607(D) HA :: 4.497(D) HB2 :: 3.110(D) HB3 :: 2.818(D) HD1 :: 7.220(D) HD2 :: 7.220(D) HE1 :: 7.352(D) HE2 :: 7.352(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.487(D) Ave N Shift Values>> N :: 120.69(4.18) 1.F16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.38 F 0.34 C 0.26 C Shift Assignments>> C :: 175.433(D) CA :: 55.516(D) CB :: 41.096(D) CD1 :: 131.789(D) CE1 :: 131.789(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.202(D) HA :: 4.793(D) HB2 :: 2.770(D) HB3 :: 2.998(D) HD1 :: 7.010(D) HD2 :: 7.010(D) HE1 :: 7.353(D) HE2 :: 7.353(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.591(D) Ave N Shift Values>> N :: 120.69(4.18) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 C 0.37 M 0.14 K 0.03 I 0.03 Q 0.02 C Shift Assignments>> C :: 176.809(D) CA :: 56.395(D) CB :: 30.932(D) CG :: 36.576(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.749(D) HA :: 4.579(D) HB2 :: 2.016(D) HB3 :: 2.154(D) HG2 :: 2.385(D) HG3 :: 2.385(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.719(D) Ave N Shift Values>> N :: 120.68(3.68) 1.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 59.637(D) CB :: 64.708(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.764(D) HA :: 4.697(D) HB2 :: 3.858(D) HB3 :: 3.772(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.765(D) Ave N Shift Values>> N :: 116.3(3.95) 1.H19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.35 H 0.35 C 0.28 C Shift Assignments>> C :: 174.658(D) CA :: 56.750(D) CB :: 29.718(D) CD2 :: 120.141(D) CE1 :: 138.518(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.617(D) HA :: 4.770(D) HB2 :: 3.222(D) HB3 :: 3.222(D) HD2 :: 7.119(D) HE1 :: 7.963(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.651(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 174.424(D) CA :: 62.252(D) CB :: 34.146(D) CG1 :: 22.130(D) CG2 :: 21.450(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.360(D) HA :: 4.100(D) HB :: 1.957(D) HG11 :: 0.877(D) HG12 :: 0.877(D) HG13 :: 0.877(D) HG21 :: 0.877(D) HG22 :: 0.877(D) HG23 :: 0.877(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.352(D) Ave N Shift Values>> N :: 121.02(4.96) 1.A21 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 C Shift Assignments>> C :: 177.570(D) CA :: 50.997(D) CB :: 19.579(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.570(D) HA :: 4.345(D) HB1 :: 1.342(D) HB2 :: 1.342(D) HB3 :: 1.342(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.401(D) Ave N Shift Values>> N :: 123.23(3.7) 1.R22 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.39 C 0.36 G 0.14 K 0.06 L 0.03 C Shift Assignments>> C :: 178.258(D) CA :: 59.407(D) CB :: 29.433(D) CG :: 26.561(D) CD :: 43.773(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.838(D) HA :: 2.545(S) HB2 :: 0.492(S) HB3 :: 1.035(D) HG2 :: 1.176(D) HG3 :: 0.867(D) HD2 :: 2.866(D) HD3 :: 2.866(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.465(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 177.995(D) CA :: 54.000(D) CB :: 18.722(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.203(D) HA :: 4.069(D) HB1 :: 1.302(D) HB2 :: 1.302(D) HB3 :: 1.302(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.242(D) Ave N Shift Values>> N :: 123.23(3.7) 1.N24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 N 0.29 C 0.12 L 0.1 F 0.05 Y 0.05 K 0.02 C Shift Assignments>> C :: 174.848(D) CA :: 52.509(D) CB :: 40.358(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.739(D) HA :: 4.988(D) HB2 :: 3.100(D) HB3 :: 2.686(D) HD21 :: 7.703(D) HD22 :: 7.133(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.861(D) ND2 :: 112.192(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.755(D) CA :: 62.859(D) CB :: 33.432(D) CG1 :: 22.794(D) CG2 :: 22.687(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.524(D) HA :: 4.272(D) HB :: 2.170(D) HG11 :: 0.906(D) HG12 :: 0.906(D) HG13 :: 0.906(D) HG21 :: 0.906(D) HG22 :: 0.906(D) HG23 :: 0.906(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.883(D) Ave N Shift Values>> N :: 121.02(4.96) 1.K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 R 0.29 K 0.28 M 0.01 G 0.01 HN Overlap>> 1.A42 1.A42 C Shift Assignments>> C :: 176.634(D) CA :: 58.989(D) CB :: 34.390(D) CG :: 25.843(D) CD :: 30.263(D) CE :: 42.132(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.527(D) HA :: 4.298(D) HB2 :: 1.267(D) HB3 :: 1.619(D) HG2 :: 1.328(D) HG3 :: 1.424(D) HD2 :: 1.631(D) HD3 :: 1.631(D) HE2 :: 3.045(D) HE3 :: 3.045(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.312(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 H 0.3 W 0.3 C Shift Assignments>> C :: 172.740(D) CA :: 55.328(D) CB :: 32.882(D) CD2 :: 120.141(D) CE1 :: 138.518(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.214(D) HA :: 4.965(D) HB2 :: 3.660(D) HB3 :: 3.064(D) HD2 :: 6.540(D) HE1 :: 7.884(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 109.505(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 L 0.24 C 0.16 A 0.01 R 0.01 C Shift Assignments>> C :: 175.346(D) CA :: 53.466(D) CB :: 45.200(D) CG :: 26.601(D) CD1 :: 23.949(D) CD2 :: 26.349(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.066(D) HA :: 5.156(D) HB2 :: 1.682(D) HB3 :: 1.232(D) HG :: 1.429(D) HD11 :: 0.745(D) HD12 :: 0.745(D) HD13 :: 0.745(D) HD21 :: 0.515(D) HD22 :: 0.515(D) HD23 :: 0.515(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.963(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.4 K 0.34 R 0.22 M 0.02 C Shift Assignments>> C :: 174.716(D) CA :: 55.118(D) CB :: 35.144(D) CG :: 25.710(D) CD :: 29.884(D) CE :: 41.501(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.549(D) HA :: 5.353(D) HB2 :: 1.561(D) HB3 :: 1.561(D) HG2 :: 1.235(D) HG3 :: 1.030(D) HD2 :: 1.098(D) HD3 :: 0.930(D) HE2 :: 2.449(D) HE3 :: 2.243(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.299(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.970(D) CA :: 60.390(D) CB :: 39.603(D) CG1 :: 27.631(D) CG2 :: 18.571(D) CD1 :: 14.101(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.140(D) HA :: 4.910(D) HB :: 1.874(D) HG12 :: 1.505(D) HG13 :: 1.149(D) HG21 :: 0.976(D) HG22 :: 0.976(D) HG23 :: 0.976(D) HD11 :: 0.782(D) HD12 :: 0.782(D) HD13 :: 0.782(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.823(D) Ave N Shift Values>> N :: 121.6(4.72) 1.L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 C 0.24 K 0.04 G 0.04 A 0.02 C Shift Assignments>> C :: 175.975(D) CA :: 55.474(D) CB :: 42.749(D) CD1 :: 25.591(D) CD2 :: 23.101(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.866(D) HA :: 4.580(D) HB2 :: 1.711(D) HB3 :: 1.876(D) HD11 :: 0.912(D) HD12 :: 0.912(D) HD13 :: 0.912(D) HD21 :: 0.830(D) HD22 :: 0.830(D) HD23 :: 0.830(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.835(D) Ave N Shift Values>> N :: 121.98(4.07) 1.N32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.2 C 0.14 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 174.658(D) CA :: 52.524(D) CB :: 38.978(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.211(D) HA :: 4.998(D) HB2 :: 2.392(D) HB3 :: 2.896(D) HD21 :: 7.629(D) HD22 :: 6.295(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.696(D) ND2 :: 111.827(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.67 C 0.3 A 0.01 C Shift Assignments>> CA :: 58.046(D) CB :: 70.341(D) CG2 :: 22.130(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.925(D) HA :: 4.784(D) HB :: 4.159(D) HG21 :: 1.210(D) HG22 :: 1.210(D) HG23 :: 1.210(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.303(D) Ave N Shift Values>> N :: 115.7(5.05) 1.P34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.765(D) CA :: 65.164(D) CB :: 32.484(D) CG :: 27.631(D) CD :: 51.251(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.300(D) HB2 :: 2.346(D) HB3 :: 1.876(D) HG2 :: 2.085(D) HG3 :: 1.965(D) HD2 :: 3.758(D) HD3 :: 3.758(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N35 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.N69 1.N69 C Shift Assignments>> C :: 174.541(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.294(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.212(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 L 0.18 C 0.12 R 0.07 D 0.01 F 0.01 HN Overlap>> 1.K66 1.K66 C Shift Assignments>> C :: 173.838(D) CA :: 55.139(D) CB :: 45.200(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.561(D) HA :: 4.884(D) HB2 :: 3.141(D) HB3 :: 2.970(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.986(D) Ave N Shift Values>> N :: 119.95(4.79) 1.A37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 176.326(D) CA :: 53.152(D) CB :: 18.930(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.520(D) HA :: 4.233(D) HB1 :: 1.440(D) HB2 :: 1.440(D) HB3 :: 1.440(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.167(D) Ave N Shift Values>> N :: 123.23(3.7) 1.C38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 C 0.18 L 0.07 R 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.589(D) CA :: 58.487(D) CB :: 45.702(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.343(D) HA :: 4.213(D) HB2 :: 2.649(D) HB3 :: 3.460(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.786(D) Ave N Shift Values>> N :: 119.95(4.79) 1.Q39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.36 C 0.31 Q 0.15 E 0.12 K 0.03 C Shift Assignments>> C :: 173.545(D) CA :: 54.491(D) CB :: 31.876(D) CG :: 34.426(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.988(D) HA :: 4.573(D) HB2 :: 2.314(D) HB3 :: 1.827(D) HG2 :: 2.589(D) HG3 :: 2.306(D) HE21 :: 7.264(D) HE22 :: 6.894(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.825(D) NE2 :: 113.029(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I40 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>> C :: 174.336(D) CA :: 60.620(D) CB :: 40.235(D) CG1 :: 28.243(D) CG2 :: 19.278(D) CD1 :: 14.101(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.967(D) HA :: 5.095(D) HB :: 1.770(D) HG12 :: 0.973(D) HG13 :: 0.973(D) HG21 :: 0.723(D) HG22 :: 0.723(D) HG23 :: 0.723(D) HD11 :: 0.710(D) HD12 :: 0.710(D) HD13 :: 0.710(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.006(D) Ave N Shift Values>> N :: 121.6(4.72) 1.V41 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>> C :: 175.492(D) CA :: 59.993(D) CB :: 35.270(D) CG1 :: 21.483(D) CG2 :: 22.454(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.130(D) HA :: 4.926(D) HB :: 1.795(D) HG11 :: 0.905(D) HG12 :: 0.905(D) HG13 :: 0.905(D) HG21 :: 0.842(D) HG22 :: 0.842(D) HG23 :: 0.842(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.973(D) Ave N Shift Values>> N :: 121.02(4.96) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.54 L 0.19 C 0.14 M 0.1 K 0.01 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 175.931(D) CA :: 50.558(D) CB :: 22.072(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.558(D) HA :: 5.123(D) HB1 :: 1.319(D) HB2 :: 1.319(D) HB3 :: 1.319(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.264(D) Ave N Shift Values>> N :: 123.23(3.7) 1.R43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.42 C 0.31 K 0.23 G 0.02 C Shift Assignments>> C :: 175.477(D) CA :: 54.000(D) CB :: 31.122(D) CG :: 27.307(D) CD :: 42.400(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.707(D) HA :: 4.966(D) HB2 :: 1.434(D) HB3 :: 0.944(D) HG2 :: 1.506(D) HG3 :: 1.379(D) HD2 :: 3.081(D) HD3 :: 3.081(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.647(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 C 0.27 R 0.12 A 0.03 C Shift Assignments>> C :: 177.848(D) CA :: 54.596(D) CB :: 41.806(D) CG :: 27.716(D) CD1 :: 25.843(D) CD2 :: 23.192(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.183(D) HA :: 5.009(D) HB2 :: 2.180(D) HB3 :: 1.771(D) HG :: 1.787(D) HD11 :: 1.005(D) HD12 :: 1.005(D) HD13 :: 1.005(D) HD21 :: 0.775(D) HD22 :: 0.775(D) HD23 :: 0.775(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.821(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K45 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.449(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.659(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 D 0.21 C 0.16 Y 0.13 F 0.12 L 0.07 E 0.01 I 0.01 C Shift Assignments>> C :: 175.155(D) CA :: 54.616(D) CB :: 39.292(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.716(D) HB2 :: 3.138(D) HB3 :: 2.742(D) HD21 :: 7.628(D) HD22 :: 6.966(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 113.245(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 R 0.34 G 0.13 K 0.12 C Shift Assignments>> C :: 175.433(D) CA :: 57.252(D) CB :: 32.128(D) CG :: 28.278(D) CD :: 43.900(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.926(D) HA :: 4.274(D) HB2 :: 1.767(D) HB3 :: 1.767(D) HG2 :: 1.650(D) HG3 :: 1.573(D) HD2 :: 3.238(D) HD3 :: 3.173(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.086(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 M 0.28 E 0.26 Q 0.06 K 0.02 C Shift Assignments>> C :: 175.697(D) CA :: 55.077(D) CB :: 31.751(D) CG :: 35.692(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.542(D) HA :: 5.478(D) HB2 :: 1.876(D) HB3 :: 1.876(D) HG2 :: 2.356(D) HG3 :: 1.973(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.774(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.71 V 0.25 I 0.02 C Shift Assignments>> C :: 175.185(D) CA :: 59.344(D) CB :: 36.024(D) CG1 :: 21.803(D) CG2 :: 19.783(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.710(D) HA :: 4.781(D) HB :: 2.177(D) HG11 :: 0.940(D) HG12 :: 0.940(D) HG13 :: 0.940(D) HG21 :: 0.915(D) HG22 :: 0.915(D) HG23 :: 0.915(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.392(D) Ave N Shift Values>> N :: 121.02(4.96) 1.C52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.24 K 0.17 L 0.16 C 0.13 F 0.12 Y 0.08 D 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 174.380(D) CA :: 57.984(D) CB :: 42.661(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.184(D) HA :: 5.313(D) HB2 :: 3.631(D) HB3 :: 2.996(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.238(D) Ave N Shift Values>> N :: 119.95(4.79) 1.I53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 I 0.38 G 0.03 A 0.02 C Shift Assignments>> C :: 172.931(D) CA :: 58.675(D) CB :: 42.309(D) CG1 :: 27.733(D) CG2 :: 18.141(D) CD1 :: 14.858(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.434(D) HA :: 4.928(D) HB :: 1.540(D) HG12 :: 1.334(D) HG13 :: 1.166(D) HG21 :: 0.740(D) HG22 :: 0.740(D) HG23 :: 0.740(D) HD11 :: 0.743(D) HD12 :: 0.743(D) HD13 :: 0.743(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.034(D) Ave N Shift Values>> N :: 121.6(4.72) 1.D54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> D 0.27 L 0.22 C 0.14 R 0.08 N 0.08 G 0.07 K 0.05 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.251(D) CB :: 42.515(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.702(D) HA :: 3.426(S) HB2 :: 2.662(D) HB3 :: 2.203(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.815(D) Ave N Shift Values>> N :: 120.73(4.2) 1.P55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.034(D) CA :: 63.947(D) CB :: 33.000(D) CG :: 27.643(D) CD :: 51.251(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.986(D) HB2 :: 2.172(D) HB3 :: 1.889(D) HG2 :: 1.895(D) HG3 :: 1.794(D) HD2 :: 3.426(D) HD3 :: 3.426(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.38 C 0.35 R 0.22 M 0.02 C Shift Assignments>> C :: 177.922(D) CA :: 56.729(D) CB :: 31.751(D) CG :: 25.212(D) CD :: 29.000(D) CE :: 41.753(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.889(D) HA :: 3.993(D) HB2 :: 1.760(D) HB3 :: 1.760(D) HG2 :: 1.408(D) HG3 :: 1.333(D) HD2 :: 1.682(D) HD3 :: 1.682(D) HE2 :: 3.019(D) HE3 :: 3.019(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.456(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.56 C 0.29 R 0.1 G 0.01 A 0.01 C Shift Assignments>> C :: 179.268(D) CA :: 55.997(D) CB :: 42.309(D) CG :: 26.878(D) CD1 :: 25.717(D) CD2 :: 23.318(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.157(D) HA :: 4.040(D) HB2 :: 1.246(D) HB3 :: 1.064(D) HG :: 1.907(D) HD11 :: 1.068(D) HD12 :: 1.068(D) HD13 :: 1.068(D) HD21 :: 1.060(D) HD22 :: 1.060(D) HD23 :: 1.060(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.452(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 K 0.38 R 0.19 G 0.02 M 0.01 C Shift Assignments>> C :: 178.917(D) CA :: 60.202(D) CB :: 32.253(D) CG :: 25.086(D) CD :: 29.379(D) CE :: 42.515(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.731(D) HA :: 3.913(D) HB2 :: 2.018(D) HB3 :: 2.018(D) HG2 :: 1.578(D) HG3 :: 1.578(D) HD2 :: 1.801(D) HD3 :: 1.801(D) HE2 :: 3.080(D) HE3 :: 3.080(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.307(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.52 C 0.42 H 0.05 C Shift Assignments>> C :: 178.829(D) CA :: 58.779(D) CB :: 27.854(D) CD1 :: 128.680(D) CE3 :: 121.176(D) CZ2 :: 113.929(D) CZ3 :: 121.176(D) CH2 :: 124.023(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.884(D) HA :: 4.637(D) HB2 :: 3.628(D) HB3 :: 3.298(D) HD1 :: 7.734(D) HE3 :: 7.381(D) HZ2 :: 7.020(D) HZ3 :: 6.629(D) HH2 :: 6.689(D) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 113.503(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.687(D) CA :: 64.177(D) CB :: 35.710(D) CG1 :: 26.854(D) CG2 :: 17.131(D) CD1 :: 13.090(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.449(D) HA :: 3.284(D) HB :: 1.770(D) HG12 :: -0.417(S) HG13 :: 0.111(D) HG21 :: 0.521(D) HG22 :: 0.521(D) HG23 :: 0.521(D) HD11 :: 0.091(D) HD12 :: 0.091(D) HD13 :: 0.091(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.379(D) Ave N Shift Values>> N :: 121.6(4.72) 1.Q61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 K 0.22 Q 0.22 E 0.12 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 178.361(D) CA :: 59.302(D) CB :: 28.357(D) CG :: 34.051(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.646(D) HA :: 3.738(D) HB2 :: 2.266(D) HB3 :: 2.208(D) HG2 :: 2.380(D) HG3 :: 2.380(D) HE21 :: 7.984(D) HE22 :: 7.127(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.966(D) NE2 :: 115.755(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 E 0.33 I 0.23 M 0.03 K 0.02 C Shift Assignments>> C :: 179.019(D) CA :: 59.637(D) CB :: 30.368(D) CG :: 37.019(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.075(D) HA :: 4.076(D) HB2 :: 2.250(D) HB3 :: 2.101(D) HG2 :: 2.546(D) HG3 :: 2.270(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.105(D) Ave N Shift Values>> N :: 120.68(3.68) 1.Y63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 178.551(D) CA :: 61.206(D) CB :: 39.669(D) CD1 :: 133.083(D) CE1 :: 118.070(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.922(D) HA :: 4.237(D) HB2 :: 3.423(D) HB3 :: 3.312(D) HD1 :: 7.165(D) HD2 :: 7.165(D) HE1 :: 6.819(D) HE2 :: 6.819(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.402(D) Ave N Shift Values>> N :: 120.79(4.69) 1.L64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 L 0.37 R 0.19 G 0.02 C Shift Assignments>> C :: 179.458(D) CA :: 57.880(D) CB :: 42.434(D) CG :: 26.955(D) CD1 :: 23.192(D) CD2 :: 26.727(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.227(D) HA :: 3.957(D) HB2 :: 1.939(D) HB3 :: 1.214(D) HG :: 1.925(D) HD11 :: 0.753(D) HD12 :: 0.753(D) HD13 :: 0.753(D) HD21 :: 0.699(D) HD22 :: 0.699(D) HD23 :: 0.699(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.209(D) Ave N Shift Values>> N :: 121.98(4.07) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 C 0.33 E 0.26 K 0.02 M 0.01 C Shift Assignments>> C :: 179.166(D) CA :: 60.265(D) CB :: 29.739(D) CG :: 37.207(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.472(D) HA :: 3.827(D) HB2 :: 2.241(D) HB3 :: 2.075(D) HG2 :: 2.474(D) HG3 :: 2.254(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.559(D) Ave N Shift Values>> N :: 120.68(3.68) 1.K66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 K 0.34 R 0.25 G 0.02 M 0.02 HN Overlap>> 1.C36 1.C36 C Shift Assignments>> C :: 178.302(D) CA :: 58.481(D) CB :: 32.505(D) CG :: 25.465(D) CD :: 29.379(D) CE :: 42.579(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.554(D) HA :: 4.215(D) HB2 :: 1.968(D) HB3 :: 1.968(D) HG2 :: 1.610(D) HG3 :: 1.610(D) HD2 :: 1.686(D) HD3 :: 1.686(D) HE2 :: 2.994(D) HE3 :: 2.994(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.056(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 L 0.16 C 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 174.775(D) CA :: 56.102(D) CB :: 45.325(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.918(D) HA :: 4.532(D) HB2 :: 3.076(D) HB3 :: 3.006(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.236(D) Ave N Shift Values>> N :: 119.95(4.79) 1.L68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 C 0.25 R 0.11 G 0.08 A 0.01 C Shift Assignments>> C :: 176.765(D) CA :: 55.202(D) CB :: 43.314(D) CG :: 26.601(D) CD1 :: 26.475(D) CD2 :: 23.823(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.558(D) HA :: 4.520(D) HB2 :: 1.725(D) HB3 :: 1.584(D) HG :: 1.712(D) HD11 :: 0.871(D) HD12 :: 0.871(D) HD13 :: 0.871(D) HD21 :: 0.864(D) HD22 :: 0.864(D) HD23 :: 0.864(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.130(D) Ave N Shift Values>> N :: 121.98(4.07) 1.N69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 D 0.2 C 0.16 Y 0.09 F 0.08 L 0.04 E 0.01 HN Overlap>> 1.N35 1.N35 C Shift Assignments>> C :: 174.189(D) CA :: 53.654(D) CB :: 38.978(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.306(D) HA :: 4.639(D) HB2 :: 2.846(D) HB3 :: 2.599(D) HD21 :: 7.595(D) HD22 :: 6.857(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.313(D) ND2 :: 112.192(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K70 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.913(D) HA :: 4.667(D) HB2 :: 1.830(D) HB3 :: 1.830 HG2 :: 1.713(D) HG3 :: 1.713 HD2 :: 1.411(D) HD3 :: 1.411 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.077(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 4 #Clerical: 62 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 69 #Suspicious: 1 C Shift Results: #Consistent: 0 #Duplicate: 277 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 3 #Duplicate: 460 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 66 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K3 H = 8.483(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.8112e-01 1.K3 N = 124.855(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.6864e-01 1.P4 C = 177.102(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.1198e-01 1.P4 CA = 63.319(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.9076e-01 1.P4 CB = 32.575(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.1936e-01 1.P4 CG = 27.806(D), Expected = 27.14, Std = 1.1800, ChiSquare = 5.7248e-01 1.P4 CD = 51.111(D), Expected = 50.28, Std = 1.0400, ChiSquare = 4.2427e-01 1.P4 HA = 4.490(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.2414e-01 1.P4 HB2 = 2.329(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.7437e-01 1.P4 HB3 = 1.931(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.6027e-01 1.P4 HG2 = 2.068(D), Expected = 1.93, Std = 0.3600, ChiSquare = 7.0147e-01 1.P4 HG3 = 2.068(D), Expected = 1.92, Std = 0.3700, ChiSquare = 6.8916e-01 1.P4 HD2 = 3.883(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.9968e-01 1.P4 HD3 = 3.668(D), Expected = 3.63, Std = 0.4000, ChiSquare = 9.2432e-01 1.V5 C = 176.385(D), Expected = 175.69, Std = 2.0300, ChiSquare = 7.3208e-01 1.V5 CA = 62.629(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.6091e-01 1.V5 CB = 33.146(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.9915e-01 1.V5 CG1 = 21.102(D), Expected = 21.38, Std = 1.5300, ChiSquare = 8.5582e-01 1.V5 CG2 = 21.159(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.3163e-01 1.V5 H = 8.259(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.6517e-01 1.V5 HA = 4.117(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.3987e-01 1.V5 HB = 2.087(D), Expected = 1.99, Std = 0.3300, ChiSquare = 7.6880e-01 1.V5 HG11 = 0.977(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.1187e-01 1.V5 HG12 = 0.977(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.1187e-01 1.V5 HG13 = 0.977(D), Expected = 0.84, Std = 0.2700, ChiSquare = 6.1187e-01 1.V5 HG21 = 0.977(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.1223e-01 1.V5 HG22 = 0.977(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.1223e-01 1.V5 HG23 = 0.977(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.1223e-01 1.V5 N = 120.806(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.6559e-01 1.S6 C = 174.687(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.2769e-01 1.S6 CA = 58.340(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.1361e-01 1.S6 CB = 64.208(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.9496e-01 1.S6 H = 8.345(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.2931e-01 1.S6 HA = 4.479(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.4253e-01 1.S6 HB2 = 3.864(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.5600e-01 1.S6 HB3 = 3.864(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.8456e-01 1.S6 N = 119.332(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.4273e-01 1.L7 C = 177.424(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.2803e-01 1.L7 CA = 55.495(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4409e-01 1.L7 CB = 42.786(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.2303e-01 1.L7 CD1 = 25.338(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.2217e-01 1.L7 H = 8.334(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.6078e-01 1.L7 HA = 4.384(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9169e-01 1.L7 HB2 = 1.637(D), Expected = 1.63, Std = 0.3400, ChiSquare = 9.8357e-01 1.L7 HB3 = 1.550(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.5570e-01 1.L7 HD11 = 0.938(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.3380e-01 1.L7 HD12 = 0.938(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.3380e-01 1.L7 HD13 = 0.938(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.3380e-01 1.L7 N = 124.942(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.6676e-01 1.S8 C = 174.306(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.9698e-01 1.S8 CA = 58.696(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.5261e-01 1.S8 CB = 64.136(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.3054e-01 1.S8 H = 8.198(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.8204e-01 1.S8 HA = 4.407(D), Expected = 4.51, Std = 0.4300, ChiSquare = 8.1069e-01 1.S8 HB2 = 3.814(D), Expected = 3.88, Std = 0.2900, ChiSquare = 8.1997e-01 1.S8 HB3 = 3.814(D), Expected = 3.87, Std = 0.3100, ChiSquare = 8.5665e-01 1.S8 N = 116.070(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.5357e-01 1.Y9 C = 175.507(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.5064e-01 1.Y9 CA = 58.236(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.3479e-01 1.Y9 CB = 39.144(D), Expected = 39.16, Std = 2.2300, ChiSquare = 9.9428e-01 1.Y9 CD1 = 133.342(D), Expected = 132.54, Std = 1.3500, ChiSquare = 5.5246e-01 1.Y9 CE1 = 118.329(D), Expected = 117.81, Std = 2.0900, ChiSquare = 8.0388e-01 1.Y9 H = 8.005(D), Expected = 8.37, Std = 0.7500, ChiSquare = 6.2649e-01 1.Y9 HA = 4.547(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.8217e-01 1.Y9 HB2 = 3.069(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.6739e-01 1.Y9 HB3 = 2.952(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.0962e-01 1.Y9 HD1 = 7.124(D), Expected = 6.87, Std = 0.6500, ChiSquare = 6.9597e-01 1.Y9 HD2 = 7.124(D), Expected = 6.86, Std = 0.6800, ChiSquare = 6.9784e-01 1.Y9 HE1 = 6.861(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.0318e-01 1.Y9 HE2 = 6.861(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.0492e-01 1.Y9 N = 122.102(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.7967e-01 1.R10 C = 175.946(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.0116e-01 1.R10 CA = 56.102(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.2494e-01 1.R10 CB = 31.004(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.4590e-01 1.R10 CG = 26.854(D), Expected = 27.31, Std = 1.6500, ChiSquare = 7.8227e-01 1.R10 CD = 43.900(D), Expected = 43.10, Std = 1.1000, ChiSquare = 4.6706e-01 1.R10 H = 8.142(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.7026e-01 1.R10 HA = 4.302(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4202e-01 1.R10 HB2 = 1.810(D), Expected = 1.79, Std = 0.2800, ChiSquare = 9.4306e-01 1.R10 HB3 = 1.710(D), Expected = 1.78, Std = 0.2800, ChiSquare = 8.0259e-01 1.R10 HG2 = 1.550(D), Expected = 1.58, Std = 0.2700, ChiSquare = 9.1153e-01 1.R10 HG3 = 1.550(D), Expected = 1.58, Std = 0.2700, ChiSquare = 9.1153e-01 1.R10 HD2 = 3.177(D), Expected = 3.13, Std = 0.2300, ChiSquare = 8.3808e-01 1.R10 HD3 = 3.177(D), Expected = 3.13, Std = 0.2200, ChiSquare = 8.3083e-01 1.R10 N = 122.105(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.0147e-01 1.C11 CA = 53.192(D), Expected = 57.43, Std = 3.4100, ChiSquare = 2.1394e-01 1.C11 CB = 40.250(D), Expected = 34.15, Std = 6.7700, ChiSquare = 3.6757e-01 1.C11 H = 8.185(D), Expected = 8.42, Std = 0.6600, ChiSquare = 7.2179e-01 1.C11 HA = 4.952(D), Expected = 4.73, Std = 0.5700, ChiSquare = 6.9693e-01 1.C11 HB2 = 2.727(D), Expected = 2.95, Std = 0.4300, ChiSquare = 6.0404e-01 1.C11 HB3 = 3.164(D), Expected = 2.98, Std = 0.4500, ChiSquare = 6.8262e-01 1.C11 N = 121.511(D), Expected = 119.95, Std = 4.7900, ChiSquare = 7.4451e-01 1.P12 C = 177.980(D), Expected = 176.70, Std = 1.6900, ChiSquare = 4.4881e-01 1.P12 CA = 65.345(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.1242e-01 1.P12 CB = 32.575(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.1936e-01 1.P12 CG = 27.841(D), Expected = 27.14, Std = 1.1800, ChiSquare = 5.5247e-01 1.P12 CD = 51.225(D), Expected = 50.28, Std = 1.0400, ChiSquare = 3.6353e-01 1.P12 HA = 4.315(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.9187e-01 1.P12 HB2 = 1.915(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.2923e-01 1.P12 HB3 = 2.364(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.2075e-01 1.P12 HG2 = 2.102(D), Expected = 1.93, Std = 0.3600, ChiSquare = 6.3281e-01 1.P12 HG3 = 2.102(D), Expected = 1.92, Std = 0.3700, ChiSquare = 6.2280e-01 1.P12 HD2 = 3.891(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.8566e-01 1.P12 HD3 = 3.891(D), Expected = 3.63, Std = 0.4000, ChiSquare = 5.1408e-01 1.C13 H = 8.719(D), Expected = 8.42, Std = 0.6600, ChiSquare = 6.5053e-01 1.C13 N = 115.047(D), Expected = 119.95, Std = 4.7900, ChiSquare = 3.0603e-01 1.R14 C = 175.097(D), Expected = 176.49, Std = 2.1600, ChiSquare = 5.1899e-01 1.R14 CA = 57.503(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.1851e-01 1.R14 CB = 31.289(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.2231e-01 1.R14 CG = 26.828(D), Expected = 27.31, Std = 1.6500, ChiSquare = 7.7019e-01 1.R14 CD = 43.485(D), Expected = 43.10, Std = 1.1000, ChiSquare = 7.2634e-01 1.R14 HA = 4.028(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.8232e-01 1.R14 HB2 = 1.592(D), Expected = 1.79, Std = 0.2800, ChiSquare = 4.7948e-01 1.R14 HB3 = 1.528(D), Expected = 1.78, Std = 0.2800, ChiSquare = 3.6812e-01 1.R14 HG2 = 1.298(D), Expected = 1.58, Std = 0.2700, ChiSquare = 2.9628e-01 1.R14 HG3 = 1.197(D), Expected = 1.58, Std = 0.2700, ChiSquare = 1.5604e-01 1.R14 HD2 = 3.017(D), Expected = 3.13, Std = 0.2300, ChiSquare = 6.2321e-01 1.R14 HD3 = 3.017(D), Expected = 3.13, Std = 0.2200, ChiSquare = 6.0751e-01 1.F15 C = 174.292(D), Expected = 175.49, Std = 2.1300, ChiSquare = 5.7382e-01 1.F15 CA = 56.060(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.2244e-01 1.F15 CB = 41.122(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.6562e-01 1.F15 CD1 = 132.302(D), Expected = 131.38, Std = 1.3800, ChiSquare = 5.0406e-01 1.F15 CE1 = 131.789(D), Expected = 130.48, Std = 1.2900, ChiSquare = 3.1024e-01 1.F15 H = 7.607(D), Expected = 8.42, Std = 0.7400, ChiSquare = 2.7192e-01 1.F15 HA = 4.497(D), Expected = 4.62, Std = 0.5800, ChiSquare = 8.3205e-01 1.F15 HB2 = 3.110(D), Expected = 2.99, Std = 0.3700, ChiSquare = 7.4569e-01 1.F15 HB3 = 2.818(D), Expected = 2.97, Std = 0.3800, ChiSquare = 6.8916e-01 1.F15 HD1 = 7.220(D), Expected = 6.91, Std = 0.8200, ChiSquare = 7.0539e-01 1.F15 HD2 = 7.220(D), Expected = 6.89, Std = 0.8600, ChiSquare = 7.0119e-01 1.F15 HE1 = 7.352(D), Expected = 6.95, Std = 0.8200, ChiSquare = 6.2396e-01 1.F15 HE2 = 7.352(D), Expected = 6.94, Std = 0.8600, ChiSquare = 6.3189e-01 1.F15 N = 116.487(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.1466e-01 1.F16 C = 175.433(D), Expected = 175.49, Std = 2.1300, ChiSquare = 9.7865e-01 1.F16 CA = 55.516(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.1660e-01 1.F16 CB = 41.096(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.7428e-01 1.F16 CD1 = 131.789(D), Expected = 131.38, Std = 1.3800, ChiSquare = 7.6694e-01 1.F16 CE1 = 131.789(D), Expected = 130.48, Std = 1.2900, ChiSquare = 3.1024e-01 1.F16 H = 8.202(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.6830e-01 1.F16 HA = 4.793(D), Expected = 4.62, Std = 0.5800, ChiSquare = 7.6549e-01 1.F16 HB2 = 2.770(D), Expected = 2.99, Std = 0.3700, ChiSquare = 5.5211e-01 1.F16 HB3 = 2.998(D), Expected = 2.97, Std = 0.3800, ChiSquare = 9.4126e-01 1.F16 HD1 = 7.010(D), Expected = 6.91, Std = 0.8200, ChiSquare = 9.0294e-01 1.F16 HD2 = 7.010(D), Expected = 6.89, Std = 0.8600, ChiSquare = 8.8903e-01 1.F16 HE1 = 7.353(D), Expected = 6.95, Std = 0.8200, ChiSquare = 6.2310e-01 1.F16 HE2 = 7.353(D), Expected = 6.94, Std = 0.8600, ChiSquare = 6.3106e-01 1.F16 N = 119.591(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.9261e-01 1.E17 C = 176.809(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.5427e-01 1.E17 CA = 56.395(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.3976e-01 1.E17 CB = 30.932(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.3944e-01 1.E17 CG = 36.576(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.0778e-01 1.E17 H = 8.749(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.0254e-01 1.E17 HA = 4.579(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.5817e-01 1.E17 HB2 = 2.016(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.1313e-01 1.E17 HB3 = 2.154(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.2014e-01 1.E17 HG2 = 2.385(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.2098e-01 1.E17 HG3 = 2.385(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.2098e-01 1.E17 N = 122.719(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.7953e-01 1.S18 CA = 59.637(D), Expected = 58.57, Std = 2.1200, ChiSquare = 6.1475e-01 1.S18 CB = 64.708(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.6303e-01 1.S18 H = 8.764(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.4456e-01 1.S18 HA = 4.697(D), Expected = 4.51, Std = 0.4300, ChiSquare = 6.6365e-01 1.S18 HB2 = 3.858(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.3953e-01 1.S18 HB3 = 3.772(D), Expected = 3.87, Std = 0.3100, ChiSquare = 7.5190e-01 1.S18 N = 118.765(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.3259e-01 1.H19 C = 174.658(D), Expected = 175.19, Std = 2.1400, ChiSquare = 8.0367e-01 1.H19 CA = 56.750(D), Expected = 56.37, Std = 2.4000, ChiSquare = 8.7419e-01 1.H19 CB = 29.718(D), Expected = 29.95, Std = 2.1500, ChiSquare = 9.1407e-01 1.H19 CD2 = 120.141(D), Expected = 119.84, Std = 3.3000, ChiSquare = 9.2732e-01 1.H19 CE1 = 138.518(D), Expected = 136.05, Std = 3.5800, ChiSquare = 4.9058e-01 1.H19 H = 8.617(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.1993e-01 1.H19 HA = 4.770(D), Expected = 4.62, Std = 0.5100, ChiSquare = 7.6867e-01 1.H19 HB2 = 3.222(D), Expected = 3.12, Std = 0.4300, ChiSquare = 8.1249e-01 1.H19 HB3 = 3.222(D), Expected = 3.11, Std = 0.4500, ChiSquare = 8.0345e-01 1.H19 HD2 = 7.119(D), Expected = 7.08, Std = 0.5000, ChiSquare = 9.3783e-01 1.H19 HE1 = 7.963(D), Expected = 8.08, Std = 0.5700, ChiSquare = 8.3737e-01 1.H19 N = 119.651(D), Expected = 119.44, Std = 4.5200, ChiSquare = 9.6277e-01 1.V20 C = 174.424(D), Expected = 175.69, Std = 2.0300, ChiSquare = 5.3286e-01 1.V20 CA = 62.252(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.4021e-01 1.V20 CB = 34.146(D), Expected = 32.66, Std = 1.9100, ChiSquare = 4.3656e-01 1.V20 CG1 = 22.130(D), Expected = 21.38, Std = 1.5300, ChiSquare = 6.2399e-01 1.V20 CG2 = 21.450(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.3660e-01 1.V20 H = 7.360(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.9024e-01 1.V20 HA = 4.100(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.1617e-01 1.V20 HB = 1.957(D), Expected = 1.99, Std = 0.3300, ChiSquare = 9.2034e-01 1.V20 HG11 = 0.877(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.9100e-01 1.V20 HG12 = 0.877(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.9100e-01 1.V20 HG13 = 0.877(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.9100e-01 1.V20 HG21 = 0.877(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.7125e-01 1.V20 HG22 = 0.877(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.7125e-01 1.V20 HG23 = 0.877(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.7125e-01 1.V20 N = 121.352(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.4663e-01 1.A21 C = 177.570(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.1598e-01 1.A21 CA = 50.997(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9372e-01 1.A21 CB = 19.579(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.1360e-01 1.A21 H = 8.570(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 1.A21 HA = 4.345(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.3962e-01 1.A21 HB1 = 1.342(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.7919e-01 1.A21 HB2 = 1.342(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.7919e-01 1.A21 HB3 = 1.342(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.7919e-01 1.A21 N = 131.401(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.7218e-02 1.R22 C = 178.258(D), Expected = 176.49, Std = 2.1600, ChiSquare = 4.1306e-01 1.R22 CA = 59.407(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.0796e-01 1.R22 CB = 29.433(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.8817e-01 1.R22 CG = 26.561(D), Expected = 27.31, Std = 1.6500, ChiSquare = 6.4987e-01 1.R22 CD = 43.773(D), Expected = 43.10, Std = 1.1000, ChiSquare = 5.4066e-01 1.R22 H = 7.838(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.0286e-01 1.R22 HA = 2.545(S), Expected = 4.27, Std = 0.4400, ChiSquare = 8.8382e-05 1.R22 HB2 = 0.492(S), Expected = 1.79, Std = 0.2800, ChiSquare = 3.5571e-06 1.R22 HB3 = 1.035(D), Expected = 1.78, Std = 0.2800, ChiSquare = 7.7975e-03 1.R22 HG2 = 1.176(D), Expected = 1.58, Std = 0.2700, ChiSquare = 1.3458e-01 1.R22 HG3 = 0.867(D), Expected = 1.58, Std = 0.2700, ChiSquare = 8.2725e-03 1.R22 HD2 = 2.866(D), Expected = 3.13, Std = 0.2300, ChiSquare = 2.5104e-01 1.R22 HD3 = 2.866(D), Expected = 3.13, Std = 0.2200, ChiSquare = 2.3014e-01 1.R22 N = 124.465(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.2293e-01 1.R22 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.A23 C = 177.995(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.2872e-01 1.A23 CA = 54.000(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.8344e-01 1.A23 CB = 18.722(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.2335e-01 1.A23 H = 8.203(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9601e-01 1.A23 HA = 4.069(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.4928e-01 1.A23 HB1 = 1.302(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.5504e-01 1.A23 HB2 = 1.302(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.5504e-01 1.A23 HB3 = 1.302(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.5504e-01 1.A23 N = 117.242(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.0558e-01 1.N24 C = 174.848(D), Expected = 175.16, Std = 1.7600, ChiSquare = 8.5929e-01 1.N24 CA = 52.509(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.3497e-01 1.N24 CB = 40.358(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.4012e-01 1.N24 H = 7.739(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.3166e-01 1.N24 HA = 4.988(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.6023e-01 1.N24 HB2 = 3.100(D), Expected = 2.80, Std = 0.3400, ChiSquare = 3.7759e-01 1.N24 HB3 = 2.686(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.8219e-01 1.N24 HD21 = 7.703(D), Expected = 7.27, Std = 0.5200, ChiSquare = 4.0502e-01 1.N24 HD22 = 7.133(D), Expected = 7.20, Std = 0.5200, ChiSquare = 8.9748e-01 1.N24 N = 112.861(D), Expected = 119.13, Std = 4.4200, ChiSquare = 1.5610e-01 1.N24 ND2 = 112.192(D), Expected = 112.83, Std = 2.6000, ChiSquare = 8.0616e-01 1.V25 C = 175.755(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.7446e-01 1.V25 CA = 62.859(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.0078e-01 1.V25 CB = 33.432(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.8607e-01 1.V25 CG1 = 22.794(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.5539e-01 1.V25 CG2 = 22.687(D), Expected = 21.31, Std = 1.7600, ChiSquare = 4.3399e-01 1.V25 H = 7.524(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.8064e-01 1.V25 HA = 4.272(D), Expected = 4.16, Std = 0.5700, ChiSquare = 8.4423e-01 1.V25 HB = 2.170(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.8544e-01 1.V25 HG11 = 0.906(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0689e-01 1.V25 HG12 = 0.906(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0689e-01 1.V25 HG13 = 0.906(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0689e-01 1.V25 HG21 = 0.906(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.9327e-01 1.V25 HG22 = 0.906(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.9327e-01 1.V25 HG23 = 0.906(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.9327e-01 1.V25 N = 119.883(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.1869e-01 1.K26 C = 176.634(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.3236e-01 1.K26 CA = 58.989(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.3952e-01 1.K26 CB = 34.390(D), Expected = 32.83, Std = 1.8800, ChiSquare = 4.0666e-01 1.K26 CG = 25.843(D), Expected = 24.91, Std = 1.3100, ChiSquare = 4.7633e-01 1.K26 CD = 30.263(D), Expected = 28.78, Std = 1.3900, ChiSquare = 2.8601e-01 1.K26 CE = 42.132(D), Expected = 41.78, Std = 0.9800, ChiSquare = 7.1946e-01 1.K26 H = 9.527(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.1133e-02 1.K26 HA = 4.298(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.6809e-01 1.K26 HB2 = 1.267(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.6439e-02 1.K26 HB3 = 1.619(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.3576e-01 1.K26 HG2 = 1.328(D), Expected = 1.38, Std = 0.2700, ChiSquare = 8.4728e-01 1.K26 HG3 = 1.424(D), Expected = 1.37, Std = 0.2900, ChiSquare = 8.5228e-01 1.K26 HD2 = 1.631(D), Expected = 1.61, Std = 0.2500, ChiSquare = 9.3306e-01 1.K26 HD3 = 1.631(D), Expected = 1.61, Std = 0.2500, ChiSquare = 9.3306e-01 1.K26 HE2 = 3.045(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.6529e-01 1.K26 HE3 = 3.045(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.6529e-01 1.K26 N = 128.312(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.1833e-02 1.H27 C = 172.740(D), Expected = 175.19, Std = 2.1400, ChiSquare = 2.5227e-01 1.H27 CA = 55.328(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.6417e-01 1.H27 CB = 32.882(D), Expected = 29.95, Std = 2.1500, ChiSquare = 1.7266e-01 1.H27 CD2 = 120.141(D), Expected = 119.84, Std = 3.3000, ChiSquare = 9.2732e-01 1.H27 CE1 = 138.518(D), Expected = 136.05, Std = 3.5800, ChiSquare = 4.9058e-01 1.H27 H = 7.214(D), Expected = 8.25, Std = 0.7400, ChiSquare = 1.6151e-01 1.H27 HA = 4.965(D), Expected = 4.62, Std = 0.5100, ChiSquare = 4.9874e-01 1.H27 HB2 = 3.660(D), Expected = 3.12, Std = 0.4300, ChiSquare = 2.0918e-01 1.H27 HB3 = 3.064(D), Expected = 3.11, Std = 0.4500, ChiSquare = 9.1858e-01 1.H27 HD2 = 6.540(D), Expected = 7.08, Std = 0.5000, ChiSquare = 2.8014e-01 1.H27 HE1 = 7.884(D), Expected = 8.08, Std = 0.5700, ChiSquare = 7.3095e-01 1.H27 N = 109.505(D), Expected = 119.44, Std = 4.5200, ChiSquare = 2.7948e-02 1.L28 C = 175.346(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.3714e-01 1.L28 CA = 53.466(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.2304e-01 1.L28 CB = 45.200(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.2813e-01 1.L28 CG = 26.601(D), Expected = 26.77, Std = 1.2500, ChiSquare = 8.9245e-01 1.L28 CD1 = 23.949(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.4787e-01 1.L28 CD2 = 26.349(D), Expected = 24.10, Std = 1.7800, ChiSquare = 2.0642e-01 1.L28 H = 8.066(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.1272e-01 1.L28 HA = 5.156(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.5285e-02 1.L28 HB2 = 1.682(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.7844e-01 1.L28 HB3 = 1.232(D), Expected = 1.57, Std = 0.3600, ChiSquare = 3.4779e-01 1.L28 HG = 1.429(D), Expected = 1.54, Std = 0.3300, ChiSquare = 7.3660e-01 1.L28 HD11 = 0.745(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2623e-01 1.L28 HD12 = 0.745(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2623e-01 1.L28 HD13 = 0.745(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2623e-01 1.L28 HD21 = 0.515(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.8157e-01 1.L28 HD22 = 0.515(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.8157e-01 1.L28 HD23 = 0.515(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.8157e-01 1.L28 N = 116.963(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.1770e-01 1.K29 C = 174.716(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.9492e-01 1.K29 CA = 55.118(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.4407e-01 1.K29 CB = 35.144(D), Expected = 32.83, Std = 1.8800, ChiSquare = 2.1838e-01 1.K29 CG = 25.710(D), Expected = 24.91, Std = 1.3100, ChiSquare = 5.4141e-01 1.K29 CD = 29.884(D), Expected = 28.78, Std = 1.3900, ChiSquare = 4.2705e-01 1.K29 CE = 41.501(D), Expected = 41.78, Std = 0.9800, ChiSquare = 7.7588e-01 1.K29 H = 9.549(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.7842e-02 1.K29 HA = 5.353(D), Expected = 4.28, Std = 0.4500, ChiSquare = 1.7105e-02 1.K29 HB2 = 1.561(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.5967e-01 1.K29 HB3 = 1.561(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.9962e-01 1.K29 HG2 = 1.235(D), Expected = 1.38, Std = 0.2700, ChiSquare = 5.9124e-01 1.K29 HG3 = 1.030(D), Expected = 1.37, Std = 0.2900, ChiSquare = 2.4103e-01 1.K29 HD2 = 1.098(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.0560e-02 1.K29 HD3 = 0.930(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.5282e-03 1.K29 HE2 = 2.449(D), Expected = 2.93, Std = 0.2000, ChiSquare = 1.6172e-02 1.K29 HE3 = 2.243(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.9255e-04 1.K29 N = 123.299(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.0276e-01 1.I30 C = 176.970(D), Expected = 175.82, Std = 1.9500, ChiSquare = 5.5536e-01 1.I30 CA = 60.390(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.6599e-01 1.I30 CB = 39.603(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.2451e-01 1.I30 CG1 = 27.631(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.9347e-01 1.I30 CG2 = 18.571(D), Expected = 17.36, Std = 1.6000, ChiSquare = 4.4912e-01 1.I30 CD1 = 14.101(D), Expected = 13.41, Std = 1.9100, ChiSquare = 7.1752e-01 1.I30 H = 9.140(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.1518e-01 1.I30 HA = 4.910(D), Expected = 4.20, Std = 0.5600, ChiSquare = 2.0485e-01 1.I30 HB = 1.874(D), Expected = 1.80, Std = 0.3100, ChiSquare = 8.1133e-01 1.I30 HG12 = 1.505(D), Expected = 1.30, Std = 0.4000, ChiSquare = 6.0830e-01 1.I30 HG13 = 1.149(D), Expected = 1.24, Std = 0.4000, ChiSquare = 8.2003e-01 1.I30 HG21 = 0.976(D), Expected = 0.80, Std = 0.2900, ChiSquare = 5.4392e-01 1.I30 HG22 = 0.976(D), Expected = 0.80, Std = 0.2900, ChiSquare = 5.4392e-01 1.I30 HG23 = 0.976(D), Expected = 0.80, Std = 0.2900, ChiSquare = 5.4392e-01 1.I30 HD11 = 0.782(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.8460e-01 1.I30 HD12 = 0.782(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.8460e-01 1.I30 HD13 = 0.782(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.8460e-01 1.I30 N = 123.823(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.3766e-01 1.L31 C = 175.975(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.3402e-01 1.L31 CA = 55.474(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.3653e-01 1.L31 CB = 42.749(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.3854e-01 1.L31 CD1 = 25.591(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.1461e-01 1.L31 CD2 = 23.101(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.7464e-01 1.L31 H = 8.866(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.2030e-01 1.L31 HA = 4.580(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.8013e-01 1.L31 HB2 = 1.711(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.1170e-01 1.L31 HB3 = 1.876(D), Expected = 1.57, Std = 0.3600, ChiSquare = 3.9533e-01 1.L31 HD11 = 0.912(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9894e-01 1.L31 HD12 = 0.912(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9894e-01 1.L31 HD13 = 0.912(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9894e-01 1.L31 HD21 = 0.830(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.0259e-01 1.L31 HD22 = 0.830(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.0259e-01 1.L31 HD23 = 0.830(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.0259e-01 1.L31 N = 128.835(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.2129e-02 1.N32 C = 174.658(D), Expected = 175.16, Std = 1.7600, ChiSquare = 7.7547e-01 1.N32 CA = 52.524(D), Expected = 53.43, Std = 1.9400, ChiSquare = 6.4049e-01 1.N32 CB = 38.978(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.5821e-01 1.N32 H = 8.211(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.0675e-01 1.N32 HA = 4.998(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.4481e-01 1.N32 HB2 = 2.392(D), Expected = 2.80, Std = 0.3400, ChiSquare = 2.3014e-01 1.N32 HB3 = 2.896(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.3297e-01 1.N32 HD21 = 7.629(D), Expected = 7.27, Std = 0.5200, ChiSquare = 4.8995e-01 1.N32 HD22 = 6.295(D), Expected = 7.20, Std = 0.5200, ChiSquare = 8.1792e-02 1.N32 N = 120.696(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.2311e-01 1.N32 ND2 = 111.827(D), Expected = 112.83, Std = 2.6000, ChiSquare = 6.9967e-01 1.T33 CA = 58.046(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.3134e-01 1.T33 CB = 70.341(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.8008e-01 1.T33 CG2 = 22.130(D), Expected = 21.44, Std = 1.3900, ChiSquare = 6.1961e-01 1.T33 H = 7.925(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.7790e-01 1.T33 HA = 4.784(D), Expected = 4.48, Std = 0.5000, ChiSquare = 5.4319e-01 1.T33 HB = 4.159(D), Expected = 4.17, Std = 0.3700, ChiSquare = 9.7628e-01 1.T33 HG21 = 1.210(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.5827e-01 1.T33 HG22 = 1.210(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.5827e-01 1.T33 HG23 = 1.210(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.5827e-01 1.T33 N = 116.303(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.0495e-01 1.P34 C = 176.765(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.6932e-01 1.P34 CA = 65.164(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.5571e-01 1.P34 CB = 32.484(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.6163e-01 1.P34 CG = 27.631(D), Expected = 27.14, Std = 1.1800, ChiSquare = 6.7734e-01 1.P34 CD = 51.251(D), Expected = 50.28, Std = 1.0400, ChiSquare = 3.5048e-01 1.P34 HA = 4.300(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.5994e-01 1.P34 HB2 = 2.346(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.4787e-01 1.P34 HB3 = 1.876(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.5549e-01 1.P34 HG2 = 2.085(D), Expected = 1.93, Std = 0.3600, ChiSquare = 6.6679e-01 1.P34 HG3 = 1.965(D), Expected = 1.92, Std = 0.3700, ChiSquare = 9.0320e-01 1.P34 HD2 = 3.758(D), Expected = 3.64, Std = 0.3600, ChiSquare = 7.4308e-01 1.P34 HD3 = 3.758(D), Expected = 3.63, Std = 0.4000, ChiSquare = 7.4897e-01 1.N35 C = 174.541(D), Expected = 175.16, Std = 1.7600, ChiSquare = 7.2506e-01 1.N35 H = 8.294(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.0692e-01 1.N35 N = 120.212(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.0661e-01 1.C36 C = 173.838(D), Expected = 174.78, Std = 1.9900, ChiSquare = 6.3595e-01 1.C36 CA = 55.139(D), Expected = 57.43, Std = 3.4100, ChiSquare = 5.0168e-01 1.C36 CB = 45.200(D), Expected = 34.15, Std = 6.7700, ChiSquare = 1.0264e-01 1.C36 H = 7.561(D), Expected = 8.42, Std = 0.6600, ChiSquare = 1.9308e-01 1.C36 HA = 4.884(D), Expected = 4.73, Std = 0.5700, ChiSquare = 7.8703e-01 1.C36 HB2 = 3.141(D), Expected = 2.95, Std = 0.4300, ChiSquare = 6.5691e-01 1.C36 HB3 = 2.970(D), Expected = 2.98, Std = 0.4500, ChiSquare = 9.8227e-01 1.C36 N = 116.986(D), Expected = 119.95, Std = 4.7900, ChiSquare = 5.3606e-01 1.A37 C = 176.326(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.9895e-01 1.A37 CA = 53.152(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.9690e-01 1.A37 CB = 18.930(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.8706e-01 1.A37 H = 8.520(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9380e-01 1.A37 HA = 4.233(D), Expected = 4.26, Std = 0.4200, ChiSquare = 9.4874e-01 1.A37 HB1 = 1.440(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.1033e-01 1.A37 HB2 = 1.440(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.1033e-01 1.A37 HB3 = 1.440(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.1033e-01 1.A37 N = 125.167(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.0062e-01 1.C38 C = 173.589(D), Expected = 174.78, Std = 1.9900, ChiSquare = 5.4951e-01 1.C38 CA = 58.487(D), Expected = 57.43, Std = 3.4100, ChiSquare = 7.5658e-01 1.C38 CB = 45.702(D), Expected = 34.15, Std = 6.7700, ChiSquare = 8.7943e-02 1.C38 H = 8.343(D), Expected = 8.42, Std = 0.6600, ChiSquare = 9.0712e-01 1.C38 HA = 4.213(D), Expected = 4.73, Std = 0.5700, ChiSquare = 3.6440e-01 1.C38 HB2 = 2.649(D), Expected = 2.95, Std = 0.4300, ChiSquare = 4.8393e-01 1.C38 HB3 = 3.460(D), Expected = 2.98, Std = 0.4500, ChiSquare = 2.8612e-01 1.C38 N = 118.786(D), Expected = 119.95, Std = 4.7900, ChiSquare = 8.0800e-01 1.Q39 C = 173.545(D), Expected = 176.39, Std = 1.9600, ChiSquare = 1.4663e-01 1.Q39 CA = 54.491(D), Expected = 56.62, Std = 2.1900, ChiSquare = 3.3098e-01 1.Q39 CB = 31.876(D), Expected = 29.10, Std = 1.9700, ChiSquare = 1.5879e-01 1.Q39 CG = 34.426(D), Expected = 33.72, Std = 1.1000, ChiSquare = 5.2099e-01 1.Q39 H = 8.988(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.1545e-01 1.Q39 HA = 4.573(D), Expected = 4.28, Std = 0.4400, ChiSquare = 5.0547e-01 1.Q39 HB2 = 2.314(D), Expected = 2.05, Std = 0.2800, ChiSquare = 3.4575e-01 1.Q39 HB3 = 1.827(D), Expected = 2.04, Std = 0.2900, ChiSquare = 4.6265e-01 1.Q39 HG2 = 2.589(D), Expected = 2.32, Std = 0.2900, ChiSquare = 3.5362e-01 1.Q39 HG3 = 2.306(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.6150e-01 1.Q39 HE21 = 7.264(D), Expected = 7.17, Std = 0.4600, ChiSquare = 8.3808e-01 1.Q39 HE22 = 6.894(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.1946e-01 1.Q39 N = 128.825(D), Expected = 119.92, Std = 4.0100, ChiSquare = 2.6371e-02 1.Q39 NE2 = 113.029(D), Expected = 111.81, Std = 2.2000, ChiSquare = 5.7952e-01 1.I40 C = 174.336(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.4664e-01 1.I40 CA = 60.620(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.2715e-01 1.I40 CB = 40.235(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.2844e-01 1.I40 CG1 = 28.243(D), Expected = 27.65, Std = 2.3200, ChiSquare = 7.9826e-01 1.I40 CG2 = 19.278(D), Expected = 17.36, Std = 1.6000, ChiSquare = 2.3063e-01 1.I40 CD1 = 14.101(D), Expected = 13.41, Std = 1.9100, ChiSquare = 7.1752e-01 1.I40 H = 8.967(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.1936e-01 1.I40 HA = 5.095(D), Expected = 4.20, Std = 0.5600, ChiSquare = 1.1000e-01 1.I40 HB = 1.770(D), Expected = 1.80, Std = 0.3100, ChiSquare = 9.2291e-01 1.I40 HG12 = 0.973(D), Expected = 1.30, Std = 0.4000, ChiSquare = 4.1364e-01 1.I40 HG13 = 0.973(D), Expected = 1.24, Std = 0.4000, ChiSquare = 5.0445e-01 1.I40 HG21 = 0.723(D), Expected = 0.80, Std = 0.2900, ChiSquare = 7.9061e-01 1.I40 HG22 = 0.723(D), Expected = 0.80, Std = 0.2900, ChiSquare = 7.9061e-01 1.I40 HG23 = 0.723(D), Expected = 0.80, Std = 0.2900, ChiSquare = 7.9061e-01 1.I40 HD11 = 0.710(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.7341e-01 1.I40 HD12 = 0.710(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.7341e-01 1.I40 HD13 = 0.710(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.7341e-01 1.I40 N = 124.006(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.1023e-01 1.V41 C = 175.492(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.2230e-01 1.V41 CA = 59.993(D), Expected = 62.48, Std = 3.0400, ChiSquare = 4.1330e-01 1.V41 CB = 35.270(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.7178e-01 1.V41 CG1 = 21.483(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.4633e-01 1.V41 CG2 = 22.454(D), Expected = 21.31, Std = 1.7600, ChiSquare = 5.1569e-01 1.V41 H = 9.130(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.3677e-01 1.V41 HA = 4.926(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.7899e-01 1.V41 HB = 1.795(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.5458e-01 1.V41 HG11 = 0.905(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0976e-01 1.V41 HG12 = 0.905(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0976e-01 1.V41 HG13 = 0.905(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0976e-01 1.V41 HG21 = 0.842(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.6699e-01 1.V41 HG22 = 0.842(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.6699e-01 1.V41 HG23 = 0.842(D), Expected = 0.83, Std = 0.2900, ChiSquare = 9.6699e-01 1.V41 N = 125.973(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.1799e-01 1.A42 C = 175.931(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.9126e-01 1.A42 CA = 50.558(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.0655e-01 1.A42 CB = 22.072(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.6420e-02 1.A42 H = 9.558(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3615e-02 1.A42 HA = 5.123(D), Expected = 4.26, Std = 0.4200, ChiSquare = 3.9902e-02 1.A42 HB1 = 1.319(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.0723e-01 1.A42 HB2 = 1.319(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.0723e-01 1.A42 HB3 = 1.319(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.0723e-01 1.A42 N = 128.264(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.7366e-01 1.R43 C = 175.477(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.3908e-01 1.R43 CA = 54.000(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.2093e-01 1.R43 CB = 31.122(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.9408e-01 1.R43 CG = 27.307(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.9855e-01 1.R43 CD = 42.400(D), Expected = 43.10, Std = 1.1000, ChiSquare = 5.2454e-01 1.R43 H = 7.707(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.7436e-01 1.R43 HA = 4.966(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1369e-01 1.R43 HB2 = 1.434(D), Expected = 1.79, Std = 0.2800, ChiSquare = 2.0358e-01 1.R43 HB3 = 0.944(D), Expected = 1.78, Std = 0.2800, ChiSquare = 2.8292e-03 1.R43 HG2 = 1.506(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.8403e-01 1.R43 HG3 = 1.379(D), Expected = 1.58, Std = 0.2700, ChiSquare = 4.5661e-01 1.R43 HD2 = 3.081(D), Expected = 3.13, Std = 0.2300, ChiSquare = 8.3129e-01 1.R43 HD3 = 3.081(D), Expected = 3.13, Std = 0.2200, ChiSquare = 8.2375e-01 1.R43 N = 121.647(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.9032e-01 1.L44 C = 177.848(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.7442e-01 1.L44 CA = 54.596(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.3342e-01 1.L44 CB = 41.806(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.6172e-01 1.L44 CG = 27.716(D), Expected = 26.77, Std = 1.2500, ChiSquare = 4.4917e-01 1.L44 CD1 = 25.843(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.1513e-01 1.L44 CD2 = 23.192(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.0997e-01 1.L44 H = 9.183(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.3846e-01 1.L44 HA = 5.009(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.4266e-01 1.L44 HB2 = 2.180(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.0574e-01 1.L44 HB3 = 1.771(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.7662e-01 1.L44 HG = 1.787(D), Expected = 1.54, Std = 0.3300, ChiSquare = 4.5417e-01 1.L44 HD11 = 1.005(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.8410e-01 1.L44 HD12 = 1.005(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.8410e-01 1.L44 HD13 = 1.005(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.8410e-01 1.L44 HD21 = 0.775(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.5728e-01 1.L44 HD22 = 0.775(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.5728e-01 1.L44 HD23 = 0.775(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.5728e-01 1.L44 N = 128.821(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.2795e-02 1.K45 H = 8.449(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.2048e-01 1.K45 N = 119.659(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.1496e-01 1.N48 C = 175.155(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.9773e-01 1.N48 CA = 54.616(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.4097e-01 1.N48 CB = 39.292(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.2255e-01 1.N48 HA = 4.716(D), Expected = 4.70, Std = 0.3900, ChiSquare = 9.6728e-01 1.N48 HB2 = 3.138(D), Expected = 2.80, Std = 0.3400, ChiSquare = 3.2017e-01 1.N48 HB3 = 2.742(D), Expected = 2.78, Std = 0.3400, ChiSquare = 9.1101e-01 1.N48 HD21 = 7.628(D), Expected = 7.27, Std = 0.5200, ChiSquare = 4.9116e-01 1.N48 HD22 = 6.966(D), Expected = 7.20, Std = 0.5200, ChiSquare = 6.5271e-01 1.N48 ND2 = 113.245(D), Expected = 112.83, Std = 2.6000, ChiSquare = 8.7318e-01 1.R49 C = 175.433(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.2459e-01 1.R49 CA = 57.252(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.0028e-01 1.R49 CB = 32.128(D), Expected = 30.66, Std = 1.7700, ChiSquare = 4.0689e-01 1.R49 CG = 28.278(D), Expected = 27.31, Std = 1.6500, ChiSquare = 5.5743e-01 1.R49 CD = 43.900(D), Expected = 43.10, Std = 1.1000, ChiSquare = 4.6706e-01 1.R49 H = 7.926(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.0074e-01 1.R49 HA = 4.274(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9275e-01 1.R49 HB2 = 1.767(D), Expected = 1.79, Std = 0.2800, ChiSquare = 9.3453e-01 1.R49 HB3 = 1.767(D), Expected = 1.78, Std = 0.2800, ChiSquare = 9.6297e-01 1.R49 HG2 = 1.650(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.9544e-01 1.R49 HG3 = 1.573(D), Expected = 1.58, Std = 0.2700, ChiSquare = 9.7932e-01 1.R49 HD2 = 3.238(D), Expected = 3.13, Std = 0.2300, ChiSquare = 6.3867e-01 1.R49 HD3 = 3.173(D), Expected = 3.13, Std = 0.2200, ChiSquare = 8.4504e-01 1.R49 N = 120.086(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.9312e-01 1.Q50 C = 175.697(D), Expected = 176.39, Std = 1.9600, ChiSquare = 7.2366e-01 1.Q50 CA = 55.077(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.8108e-01 1.Q50 CB = 31.751(D), Expected = 29.10, Std = 1.9700, ChiSquare = 1.7840e-01 1.Q50 CG = 35.692(D), Expected = 33.72, Std = 1.1000, ChiSquare = 7.3017e-02 1.Q50 H = 8.542(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.0351e-01 1.Q50 HA = 5.478(D), Expected = 4.28, Std = 0.4400, ChiSquare = 6.4745e-03 1.Q50 HB2 = 1.876(D), Expected = 2.05, Std = 0.2800, ChiSquare = 5.3432e-01 1.Q50 HB3 = 1.876(D), Expected = 2.04, Std = 0.2900, ChiSquare = 5.7172e-01 1.Q50 HG2 = 2.356(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.0121e-01 1.Q50 HG3 = 1.973(D), Expected = 2.32, Std = 0.2900, ChiSquare = 2.3148e-01 1.Q50 N = 120.774(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.3135e-01 1.V51 C = 175.185(D), Expected = 175.69, Std = 2.0300, ChiSquare = 8.0354e-01 1.V51 CA = 59.344(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.0227e-01 1.V51 CB = 36.024(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.8195e-02 1.V51 CG1 = 21.803(D), Expected = 21.38, Std = 1.5300, ChiSquare = 7.8219e-01 1.V51 CG2 = 19.783(D), Expected = 21.31, Std = 1.7600, ChiSquare = 3.8561e-01 1.V51 H = 8.710(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.5415e-01 1.V51 HA = 4.781(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.7595e-01 1.V51 HB = 2.177(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.7094e-01 1.V51 HG11 = 0.940(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.1111e-01 1.V51 HG12 = 0.940(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.1111e-01 1.V51 HG13 = 0.940(D), Expected = 0.84, Std = 0.2700, ChiSquare = 7.1111e-01 1.V51 HG21 = 0.915(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.6944e-01 1.V51 HG22 = 0.915(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.6944e-01 1.V51 HG23 = 0.915(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.6944e-01 1.V51 N = 117.392(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.6450e-01 1.C52 C = 174.380(D), Expected = 174.78, Std = 1.9900, ChiSquare = 8.4069e-01 1.C52 CA = 57.984(D), Expected = 57.43, Std = 3.4100, ChiSquare = 8.7094e-01 1.C52 CB = 42.661(D), Expected = 34.15, Std = 6.7700, ChiSquare = 2.0869e-01 1.C52 H = 9.184(D), Expected = 8.42, Std = 0.6600, ChiSquare = 2.4704e-01 1.C52 HA = 5.313(D), Expected = 4.73, Std = 0.5700, ChiSquare = 3.0640e-01 1.C52 HB2 = 3.631(D), Expected = 2.95, Std = 0.4300, ChiSquare = 1.1326e-01 1.C52 HB3 = 2.996(D), Expected = 2.98, Std = 0.4500, ChiSquare = 9.7164e-01 1.C52 N = 124.238(D), Expected = 119.95, Std = 4.7900, ChiSquare = 3.7068e-01 1.I53 C = 172.931(D), Expected = 175.82, Std = 1.9500, ChiSquare = 1.3846e-01 1.I53 CA = 58.675(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.9438e-01 1.I53 CB = 42.309(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.4390e-02 1.I53 CG1 = 27.733(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.7146e-01 1.I53 CG2 = 18.141(D), Expected = 17.36, Std = 1.6000, ChiSquare = 6.2546e-01 1.I53 CD1 = 14.858(D), Expected = 13.41, Std = 1.9100, ChiSquare = 4.4838e-01 1.I53 H = 8.434(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.0640e-01 1.I53 HA = 4.928(D), Expected = 4.20, Std = 0.5600, ChiSquare = 1.9360e-01 1.I53 HB = 1.540(D), Expected = 1.80, Std = 0.3100, ChiSquare = 4.0163e-01 1.I53 HG12 = 1.334(D), Expected = 1.30, Std = 0.4000, ChiSquare = 9.3226e-01 1.I53 HG13 = 1.166(D), Expected = 1.24, Std = 0.4000, ChiSquare = 8.5323e-01 1.I53 HG21 = 0.740(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.3609e-01 1.I53 HG22 = 0.740(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.3609e-01 1.I53 HG23 = 0.740(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.3609e-01 1.I53 HD11 = 0.743(D), Expected = 0.70, Std = 0.3000, ChiSquare = 8.8603e-01 1.I53 HD12 = 0.743(D), Expected = 0.70, Std = 0.3000, ChiSquare = 8.8603e-01 1.I53 HD13 = 0.743(D), Expected = 0.70, Std = 0.3000, ChiSquare = 8.8603e-01 1.I53 N = 122.034(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.2674e-01 1.D54 CA = 51.251(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.1955e-01 1.D54 CB = 42.515(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.7711e-01 1.D54 H = 7.702(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.7057e-01 1.D54 HA = 3.426(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.3380e-04 1.D54 HB2 = 2.662(D), Expected = 2.74, Std = 0.2900, ChiSquare = 7.8796e-01 1.D54 HB3 = 2.203(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.6567e-02 1.D54 N = 125.815(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.2600e-01 1.P55 C = 176.034(D), Expected = 176.70, Std = 1.6900, ChiSquare = 6.9352e-01 1.P55 CA = 63.947(D), Expected = 63.30, Std = 1.6400, ChiSquare = 6.9320e-01 1.P55 CB = 33.000(D), Expected = 31.81, Std = 1.5400, ChiSquare = 4.3968e-01 1.P55 CG = 27.643(D), Expected = 27.14, Std = 1.1800, ChiSquare = 6.6991e-01 1.P55 CD = 51.251(D), Expected = 50.28, Std = 1.0400, ChiSquare = 3.5048e-01 1.P55 HA = 3.986(D), Expected = 4.41, Std = 0.3600, ChiSquare = 2.3889e-01 1.P55 HB2 = 2.172(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.5442e-01 1.P55 HB3 = 1.889(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.7974e-01 1.P55 HG2 = 1.895(D), Expected = 1.93, Std = 0.3600, ChiSquare = 9.2255e-01 1.P55 HG3 = 1.794(D), Expected = 1.92, Std = 0.3700, ChiSquare = 7.3345e-01 1.P55 HD2 = 3.426(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.5221e-01 1.P55 HD3 = 3.426(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.1005e-01 1.K56 C = 177.922(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.7574e-01 1.K56 CA = 56.729(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.6065e-01 1.K56 CB = 31.751(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.6601e-01 1.K56 CG = 25.212(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.1768e-01 1.K56 CD = 29.000(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.7424e-01 1.K56 CE = 41.753(D), Expected = 41.78, Std = 0.9800, ChiSquare = 9.7802e-01 1.K56 H = 7.889(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.0503e-01 1.K56 HA = 3.993(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.2362e-01 1.K56 HB2 = 1.760(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.0448e-01 1.K56 HB3 = 1.760(D), Expected = 1.78, Std = 0.2600, ChiSquare = 9.3868e-01 1.K56 HG2 = 1.408(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.1740e-01 1.K56 HG3 = 1.333(D), Expected = 1.37, Std = 0.2900, ChiSquare = 8.9848e-01 1.K56 HD2 = 1.682(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.7335e-01 1.K56 HD3 = 1.682(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.7335e-01 1.K56 HE2 = 3.019(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.5632e-01 1.K56 HE3 = 3.019(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.5632e-01 1.K56 N = 112.456(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.4195e-02 1.L57 C = 179.268(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.7154e-01 1.L57 CA = 55.997(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.7523e-01 1.L57 CB = 42.309(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.7384e-01 1.L57 CG = 26.878(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.3115e-01 1.L57 CD1 = 25.717(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.6381e-01 1.L57 CD2 = 23.318(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.6043e-01 1.L57 H = 7.157(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.0197e-01 1.L57 HA = 4.040(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5135e-01 1.L57 HB2 = 1.246(D), Expected = 1.63, Std = 0.3400, ChiSquare = 2.5872e-01 1.L57 HB3 = 1.064(D), Expected = 1.57, Std = 0.3600, ChiSquare = 1.5986e-01 1.L57 HG = 1.907(D), Expected = 1.54, Std = 0.3300, ChiSquare = 2.6609e-01 1.L57 HD11 = 1.068(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6972e-01 1.L57 HD12 = 1.068(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6972e-01 1.L57 HD13 = 1.068(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6972e-01 1.L57 HD21 = 1.060(D), Expected = 0.76, Std = 0.2800, ChiSquare = 2.8398e-01 1.L57 HD22 = 1.060(D), Expected = 0.76, Std = 0.2800, ChiSquare = 2.8398e-01 1.L57 HD23 = 1.060(D), Expected = 0.76, Std = 0.2800, ChiSquare = 2.8398e-01 1.L57 N = 120.452(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.0734e-01 1.K58 C = 178.917(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.3071e-01 1.K58 CA = 60.202(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.3512e-01 1.K58 CB = 32.253(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.5891e-01 1.K58 CG = 25.086(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.9313e-01 1.K58 CD = 29.379(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.6652e-01 1.K58 CE = 42.515(D), Expected = 41.78, Std = 0.9800, ChiSquare = 4.5325e-01 1.K58 H = 8.731(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.2462e-01 1.K58 HA = 3.913(D), Expected = 4.28, Std = 0.4500, ChiSquare = 4.1475e-01 1.K58 HB2 = 2.018(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.6177e-01 1.K58 HB3 = 2.018(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.5999e-01 1.K58 HG2 = 1.578(D), Expected = 1.38, Std = 0.2700, ChiSquare = 4.6336e-01 1.K58 HG3 = 1.578(D), Expected = 1.37, Std = 0.2900, ChiSquare = 4.7323e-01 1.K58 HD2 = 1.801(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.4487e-01 1.K58 HD3 = 1.801(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.4487e-01 1.K58 HE2 = 3.080(D), Expected = 2.93, Std = 0.2000, ChiSquare = 4.5325e-01 1.K58 HE3 = 3.080(D), Expected = 2.93, Std = 0.2000, ChiSquare = 4.5325e-01 1.K58 N = 125.307(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.1297e-01 1.W59 C = 178.829(D), Expected = 176.10, Std = 1.8900, ChiSquare = 1.4876e-01 1.W59 CA = 58.779(D), Expected = 57.71, Std = 2.6500, ChiSquare = 6.8666e-01 1.W59 CB = 27.854(D), Expected = 30.16, Std = 2.1900, ChiSquare = 2.9236e-01 1.W59 CD1 = 128.680(D), Expected = 126.16, Std = 1.7600, ChiSquare = 1.5220e-01 1.W59 CE3 = 121.176(D), Expected = 120.38, Std = 1.5000, ChiSquare = 5.9565e-01 1.W59 CZ2 = 113.929(D), Expected = 114.19, Std = 1.0900, ChiSquare = 8.1076e-01 1.W59 CZ3 = 121.176(D), Expected = 121.57, Std = 1.7600, ChiSquare = 8.2286e-01 1.W59 CH2 = 124.023(D), Expected = 123.75, Std = 1.3400, ChiSquare = 8.3856e-01 1.W59 H = 7.884(D), Expected = 8.35, Std = 0.8400, ChiSquare = 5.7906e-01 1.W59 HA = 4.637(D), Expected = 4.74, Std = 0.5500, ChiSquare = 8.5145e-01 1.W59 HB2 = 3.628(D), Expected = 3.22, Std = 0.3600, ChiSquare = 2.5707e-01 1.W59 HB3 = 3.298(D), Expected = 3.18, Std = 0.3600, ChiSquare = 7.4308e-01 1.W59 HD1 = 7.734(D), Expected = 7.16, Std = 0.3400, ChiSquare = 9.1366e-02 1.W59 HE3 = 7.381(D), Expected = 7.17, Std = 1.0300, ChiSquare = 8.3769e-01 1.W59 HZ2 = 7.020(D), Expected = 7.14, Std = 0.8900, ChiSquare = 8.9275e-01 1.W59 HZ3 = 6.629(D), Expected = 6.68, Std = 1.0200, ChiSquare = 9.6012e-01 1.W59 HH2 = 6.689(D), Expected = 6.82, Std = 0.9400, ChiSquare = 8.8916e-01 1.W59 N = 113.503(D), Expected = 121.87, Std = 4.5800, ChiSquare = 6.7722e-02 1.I60 C = 177.687(D), Expected = 175.82, Std = 1.9500, ChiSquare = 3.3835e-01 1.I60 CA = 64.177(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.5207e-01 1.I60 CB = 35.710(D), Expected = 38.58, Std = 2.0900, ChiSquare = 1.6969e-01 1.I60 CG1 = 26.854(D), Expected = 27.65, Std = 2.3200, ChiSquare = 7.3152e-01 1.I60 CG2 = 17.131(D), Expected = 17.36, Std = 1.6000, ChiSquare = 8.8619e-01 1.I60 CD1 = 13.090(D), Expected = 13.41, Std = 1.9100, ChiSquare = 8.6695e-01 1.I60 H = 6.449(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.0751e-02 1.I60 HA = 3.284(D), Expected = 4.20, Std = 0.5600, ChiSquare = 1.0190e-01 1.I60 HB = 1.770(D), Expected = 1.80, Std = 0.3100, ChiSquare = 9.2291e-01 1.I60 HG12 = -0.417(S), Expected = 1.30, Std = 0.4000, ChiSquare = 1.7667e-05 1.I60 HG13 = 0.111(D), Expected = 1.24, Std = 0.4000, ChiSquare = 4.7651e-03 1.I60 HG21 = 0.521(D), Expected = 0.80, Std = 0.2900, ChiSquare = 3.3602e-01 1.I60 HG22 = 0.521(D), Expected = 0.80, Std = 0.2900, ChiSquare = 3.3602e-01 1.I60 HG23 = 0.521(D), Expected = 0.80, Std = 0.2900, ChiSquare = 3.3602e-01 1.I60 HD11 = 0.091(D), Expected = 0.70, Std = 0.3000, ChiSquare = 4.2357e-02 1.I60 HD12 = 0.091(D), Expected = 0.70, Std = 0.3000, ChiSquare = 4.2357e-02 1.I60 HD13 = 0.091(D), Expected = 0.70, Std = 0.3000, ChiSquare = 4.2357e-02 1.I60 N = 124.379(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.5601e-01 1.Q61 C = 178.361(D), Expected = 176.39, Std = 1.9600, ChiSquare = 3.1460e-01 1.Q61 CA = 59.302(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.2070e-01 1.Q61 CB = 28.357(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.0606e-01 1.Q61 CG = 34.051(D), Expected = 33.72, Std = 1.1000, ChiSquare = 7.6348e-01 1.Q61 H = 7.646(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.5455e-01 1.Q61 HA = 3.738(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.1802e-01 1.Q61 HB2 = 2.266(D), Expected = 2.05, Std = 0.2800, ChiSquare = 4.4045e-01 1.Q61 HB3 = 2.208(D), Expected = 2.04, Std = 0.2900, ChiSquare = 5.6238e-01 1.Q61 HG2 = 2.380(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.3609e-01 1.Q61 HG3 = 2.380(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.3609e-01 1.Q61 HE21 = 7.984(D), Expected = 7.17, Std = 0.4600, ChiSquare = 7.6800e-02 1.Q61 HE22 = 7.127(D), Expected = 7.07, Std = 0.4900, ChiSquare = 9.0739e-01 1.Q61 N = 118.966(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.1195e-01 1.Q61 NE2 = 115.755(D), Expected = 111.81, Std = 2.2000, ChiSquare = 7.2944e-02 1.E62 C = 179.019(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.2215e-01 1.E62 CA = 59.637(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.1138e-01 1.E62 CB = 30.368(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.7134e-01 1.E62 CG = 37.019(D), Expected = 36.01, Std = 1.5100, ChiSquare = 5.0400e-01 1.E62 H = 8.075(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.6398e-01 1.E62 HA = 4.076(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.6872e-01 1.E62 HB2 = 2.250(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.3981e-01 1.E62 HB3 = 2.101(D), Expected = 2.04, Std = 0.2300, ChiSquare = 7.9084e-01 1.E62 HG2 = 2.546(D), Expected = 2.31, Std = 0.2100, ChiSquare = 2.6109e-01 1.E62 HG3 = 2.270(D), Expected = 2.31, Std = 0.2100, ChiSquare = 8.4894e-01 1.E62 N = 117.105(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.3132e-01 1.Y63 C = 178.551(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.4428e-02 1.Y63 CA = 61.206(D), Expected = 58.02, Std = 2.6400, ChiSquare = 2.2750e-01 1.Y63 CB = 39.669(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.1945e-01 1.Y63 CD1 = 133.083(D), Expected = 132.54, Std = 1.3500, ChiSquare = 6.8752e-01 1.Y63 CE1 = 118.070(D), Expected = 117.81, Std = 2.0900, ChiSquare = 9.0100e-01 1.Y63 H = 7.922(D), Expected = 8.37, Std = 0.7500, ChiSquare = 5.5028e-01 1.Y63 HA = 4.237(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.8281e-01 1.Y63 HB2 = 3.423(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.6560e-01 1.Y63 HB3 = 3.312(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.7726e-01 1.Y63 HD1 = 7.165(D), Expected = 6.87, Std = 0.6500, ChiSquare = 6.4994e-01 1.Y63 HD2 = 7.165(D), Expected = 6.86, Std = 0.6800, ChiSquare = 6.5377e-01 1.Y63 HE1 = 6.819(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.5761e-01 1.Y63 HE2 = 6.819(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.5669e-01 1.Y63 N = 121.402(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.9618e-01 1.L64 C = 179.458(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.3388e-01 1.L64 CA = 57.880(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.1295e-01 1.L64 CB = 42.434(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.7255e-01 1.L64 CG = 26.955(D), Expected = 26.77, Std = 1.2500, ChiSquare = 8.8234e-01 1.L64 CD1 = 23.192(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.6843e-01 1.L64 CD2 = 26.727(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.3999e-01 1.L64 H = 8.227(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.9141e-01 1.L64 HA = 3.957(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.3991e-01 1.L64 HB2 = 1.939(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.6344e-01 1.L64 HB3 = 1.214(D), Expected = 1.57, Std = 0.3600, ChiSquare = 3.2272e-01 1.L64 HG = 1.925(D), Expected = 1.54, Std = 0.3300, ChiSquare = 2.4334e-01 1.L64 HD11 = 0.753(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4980e-01 1.L64 HD12 = 0.753(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4980e-01 1.L64 HD13 = 0.753(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4980e-01 1.L64 HD21 = 0.699(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.2754e-01 1.L64 HD22 = 0.699(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.2754e-01 1.L64 HD23 = 0.699(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.2754e-01 1.L64 N = 116.209(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.5621e-01 1.E65 C = 179.166(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.8927e-01 1.E65 CA = 60.265(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.9391e-01 1.E65 CB = 29.739(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.5724e-01 1.E65 CG = 37.207(D), Expected = 36.01, Std = 1.5100, ChiSquare = 4.2794e-01 1.E65 H = 8.472(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.2868e-01 1.E65 HA = 3.827(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.1395e-01 1.E65 HB2 = 2.241(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.6091e-01 1.E65 HB3 = 2.075(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.7905e-01 1.E65 HG2 = 2.474(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.3483e-01 1.E65 HG3 = 2.254(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.8973e-01 1.E65 N = 118.559(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.6437e-01 1.K66 C = 178.302(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.6890e-01 1.K66 CA = 58.481(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.6580e-01 1.K66 CB = 32.505(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.6275e-01 1.K66 CG = 25.465(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.7181e-01 1.K66 CD = 29.379(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.6652e-01 1.K66 CE = 42.579(D), Expected = 41.78, Std = 0.9800, ChiSquare = 4.1490e-01 1.K66 H = 7.554(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.9805e-01 1.K66 HA = 4.215(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.8515e-01 1.K66 HB2 = 1.968(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.7646e-01 1.K66 HB3 = 1.968(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.6963e-01 1.K66 HG2 = 1.610(D), Expected = 1.38, Std = 0.2700, ChiSquare = 3.9430e-01 1.K66 HG3 = 1.610(D), Expected = 1.37, Std = 0.2900, ChiSquare = 4.0791e-01 1.K66 HD2 = 1.686(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.6113e-01 1.K66 HD3 = 1.686(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.6113e-01 1.K66 HE2 = 2.994(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.4897e-01 1.K66 HE3 = 2.994(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.4897e-01 1.K66 N = 117.056(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.1802e-01 1.C67 C = 174.775(D), Expected = 174.78, Std = 1.9900, ChiSquare = 9.9800e-01 1.C67 CA = 56.102(D), Expected = 57.43, Std = 3.4100, ChiSquare = 6.9695e-01 1.C67 CB = 45.325(D), Expected = 34.15, Std = 6.7700, ChiSquare = 9.8807e-02 1.C67 H = 7.918(D), Expected = 8.42, Std = 0.6600, ChiSquare = 4.4689e-01 1.C67 HA = 4.532(D), Expected = 4.73, Std = 0.5700, ChiSquare = 7.2831e-01 1.C67 HB2 = 3.076(D), Expected = 2.95, Std = 0.4300, ChiSquare = 7.6950e-01 1.C67 HB3 = 3.006(D), Expected = 2.98, Std = 0.4500, ChiSquare = 9.5393e-01 1.C67 N = 115.236(D), Expected = 119.95, Std = 4.7900, ChiSquare = 3.2505e-01 1.L68 C = 176.765(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.2186e-01 1.L68 CA = 55.202(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.3936e-01 1.L68 CB = 43.314(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.1179e-01 1.L68 CG = 26.601(D), Expected = 26.77, Std = 1.2500, ChiSquare = 8.9245e-01 1.L68 CD1 = 26.475(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.0751e-01 1.L68 CD2 = 23.823(D), Expected = 24.10, Std = 1.7800, ChiSquare = 8.7633e-01 1.L68 H = 7.558(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.0846e-01 1.L68 HA = 4.520(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7045e-01 1.L68 HB2 = 1.725(D), Expected = 1.63, Std = 0.3400, ChiSquare = 7.7993e-01 1.L68 HB3 = 1.584(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.6898e-01 1.L68 HG = 1.712(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.0222e-01 1.L68 HD11 = 0.871(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0835e-01 1.L68 HD12 = 0.871(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0835e-01 1.L68 HD13 = 0.871(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0835e-01 1.L68 HD21 = 0.864(D), Expected = 0.76, Std = 0.2800, ChiSquare = 7.1032e-01 1.L68 HD22 = 0.864(D), Expected = 0.76, Std = 0.2800, ChiSquare = 7.1032e-01 1.L68 HD23 = 0.864(D), Expected = 0.76, Std = 0.2800, ChiSquare = 7.1032e-01 1.L68 N = 121.130(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.3457e-01 1.N69 C = 174.189(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.8115e-01 1.N69 CA = 53.654(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.0808e-01 1.N69 CB = 38.978(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.5821e-01 1.N69 H = 8.306(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.2157e-01 1.N69 HA = 4.639(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.7571e-01 1.N69 HB2 = 2.846(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.9238e-01 1.N69 HB3 = 2.599(D), Expected = 2.78, Std = 0.3400, ChiSquare = 5.9448e-01 1.N69 HD21 = 7.595(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.3197e-01 1.N69 HD22 = 6.857(D), Expected = 7.20, Std = 0.5200, ChiSquare = 5.0950e-01 1.N69 N = 120.313(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.8897e-01 1.N69 ND2 = 112.192(D), Expected = 112.83, Std = 2.6000, ChiSquare = 8.0616e-01 1.K70 H = 7.913(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.3145e-01 1.K70 HA = 4.667(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.8979e-01 1.K70 HB2 = 1.830(D), Expected = 1.79, Std = 0.2500, ChiSquare = 8.7288e-01 1.K70 HG2 = 1.713(D), Expected = 1.38, Std = 0.2700, ChiSquare = 2.1745e-01 1.K70 HD2 = 1.411(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.2603e-01 1.K70 N = 127.077(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.4996e-01