Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 170.456(D) CA :: 57.287(D) CB :: 62.767(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.207 HB2 :: 3.840 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.23 D 0.15 K 0.14 F 0.07 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 175.974(D) CA :: 55.314(D) CB :: 42.745(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.424(D) HA :: 4.902 HB2 :: 1.802 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.897(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.25 K 0.19 E 0.12 H 0.03 R 0.03 Y 0.02 W 0.02 V 0.01 C Shift Assignments>> C :: 173.842(D) CA :: 56.034(D) CB :: 34.593(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.821(D) HA :: 4.446 HB2 :: 1.870 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.697(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.3 I 0.24 E 0.03 L 0.01 D 0.01 HN Overlap>> 1.M84 1.M84 C Shift Assignments>> C :: 174.599(D) CA :: 58.936(D) CB :: 38.616(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.417(D) HA :: 5.246 HB :: 2.039 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.041(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.053(D) CA :: 60.998(D) CB :: 70.614(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.117(D) HA :: 5.436 HB :: 5.209 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.620(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 Y 0.27 F 0.21 E 0.04 C Shift Assignments>> C :: 172.377(D) CA :: 60.508(D) CB :: 38.020(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.145(D) HA :: 4.815 HB :: 1.966 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.598(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.22 D 0.2 G 0.08 K 0.04 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 173.178(D) CA :: 53.090(D) CB :: 43.205(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.310(D) HA :: 4.672 HB2 :: 1.564 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 132.159(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 G 0.11 L 0.03 C Shift Assignments>> C :: 175.157(D) CA :: 48.986(D) CB :: 21.377(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.619(D) HA :: 5.516 HB1 :: 1.246 HB2 :: 1.246 HB3 :: 1.246 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.167(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 P 0.26 W 0.13 I 0.07 R 0.04 E 0.04 H 0.03 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.883(D) CA :: 61.816(D) CB :: 31.050(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.564(D) HA :: 4.165 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.726(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.44 L 0.28 D 0.07 F 0.05 K 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.914(D) CA :: 43.160(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.964(D) HA2 :: 4.324 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.895(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 K 0.17 R 0.16 H 0.15 W 0.09 E 0.07 Q 0.06 C Shift Assignments>> C :: 177.321(D) CA :: 54.739(D) CB :: 32.062(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.161(D) HA :: 4.375 HB2 :: 1.793 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.207(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.24 K 0.15 F 0.12 Y 0.09 N 0.06 R 0.02 C Shift Assignments>> C :: 177.200(D) CA :: 55.011(D) CB :: 41.278(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.790(D) HA :: 4.231 HB2 :: 1.613 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.453(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.21 Q 0.18 R 0.1 H 0.09 W 0.07 E 0.05 V 0.03 C Shift Assignments>> C :: 177.194(D) CA :: 57.017(D) CB :: 33.006(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.870(D) HA :: 4.319 HB2 :: 1.809 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.304(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 Q 0.15 L 0.12 W 0.11 K 0.1 H 0.09 E 0.09 I 0.07 M 0.01 C Shift Assignments>> C :: 177.876(D) CA :: 57.517(D) CB :: 27.584(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.604(D) HA :: 4.189 HB2 :: 1.676 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.900(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 R 0.15 E 0.14 H 0.12 K 0.1 V 0.09 M 0.07 Q 0.07 I 0.02 C Shift Assignments>> C :: 177.927(D) CA :: 59.287(D) CB :: 31.106(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.752(D) HA :: 3.767 HB2 :: 1.816 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.806(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 M 0.17 K 0.11 Q 0.09 Y 0.08 F 0.04 I 0.03 V 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 177.739(D) CA :: 57.337(D) CB :: 35.582(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.427(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 112.109(D) Ave N Shift Values>> N :: 120.52(4.2) 1.W18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 Q 0.16 W 0.15 E 0.13 H 0.12 R 0.1 I 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 178.140(D) CA :: 57.700(D) CB :: 28.528(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 10.440(D) HA :: 5.075 HB2 :: 2.494 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 130.336(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 E 0.15 R 0.14 H 0.12 V 0.09 K 0.08 Q 0.07 M 0.05 I 0.03 C Shift Assignments>> C :: 179.758(D) CA :: 59.526(D) CB :: 30.834(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.304(D) HA :: 3.881 HD2 :: 1.845 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.800(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 Q 0.14 W 0.12 I 0.1 L 0.1 K 0.1 H 0.09 E 0.09 C Shift Assignments>> C :: 177.712(D) CA :: 58.024(D) CB :: 27.578(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.045(D) HA :: 3.813 HB2 :: 1.570 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.853(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 A 0.47 I 0.01 C Shift Assignments>> C :: 178.980(D) CA :: 54.351(D) CB :: 17.675(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.032(D) HA :: 2.980 HB1 :: 1.118 HB2 :: 1.118 HB3 :: 1.118 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.499(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 V 0.23 Y 0.03 F 0.02 C Shift Assignments>> C :: 177.346(D) CA :: 64.390(D) CB :: 36.331(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.708(D) HA :: 3.779 HB :: 1.984 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.014(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.41 I 0.01 C Shift Assignments>> C :: 180.668(D) CA :: 54.301(D) CB :: 17.212(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.804(D) HA :: 4.283 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.198(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 I 0.15 W 0.13 Q 0.12 K 0.09 L 0.09 E 0.08 H 0.08 HN Overlap>> 1.L120 1.L120 C Shift Assignments>> C :: 178.875(D) CA :: 58.517(D) CB :: 27.535(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.405(D) HA :: 3.978 HB2 :: 2.140 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.505(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.74 Y 0.12 F 0.1 V 0.01 C Shift Assignments>> C :: 177.670(D) CA :: 62.804(D) CB :: 38.034(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.341(D) HA :: 4.050 HB2 :: 2.948 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.447(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 W 0.18 K 0.11 E 0.1 Q 0.07 H 0.07 R 0.06 V 0.02 P 0.02 M 0.01 C Shift Assignments>> C :: 179.503(D) CA :: 60.380(D) CB :: 28.694(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.947(D) HA :: 3.898 HB2 :: 2.113 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.336(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 R 0.15 E 0.15 H 0.13 K 0.09 Q 0.08 M 0.07 V 0.06 I 0.02 HN Overlap>> 1.R97 1.R97 C Shift Assignments>> C :: 180.154(D) CA :: 58.864(D) CB :: 30.950(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.574(D) HA :: 4.020 HB2 :: 1.980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.320(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 W 0.16 Q 0.15 E 0.14 H 0.12 R 0.09 I 0.06 L 0.02 M 0.02 C Shift Assignments>> C :: 177.499(D) CA :: 57.991(D) CB :: 28.708(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.519(D) HA :: 4.185 HB2 :: 1.290 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.963(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L29 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> L 0.26 K 0.21 R 0.17 D 0.13 F 0.1 Y 0.07 C Shift Assignments>> C :: 177.162(D) CA :: 56.113(D) CB :: 42.380(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.772(D) HA :: 18.494(A) HB2 :: 15.747(A) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.265(D) Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (H > HA : 0.9998) (H > HB2 : 1.0000) 1.G30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.59 P 0.2 A 0.1 N 0.03 L 0.03 D 0.01 C Shift Assignments>> C :: 172.793(D) CA :: 47.971(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.435(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.363(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.47 V 0.37 I 0.09 W 0.03 C Shift Assignments>> C :: 176.626(D) CA :: 64.019(D) CB :: 30.832(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.289 HB2 :: 2.166 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.3 I 0.17 E 0.06 D 0.02 L 0.02 N 0.01 M 0.01 C Shift Assignments>> C :: 175.562(D) CA :: 58.191(D) CB :: 38.376(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.113(D) HA :: 4.291 HB2 :: 2.457 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.897(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.95 S 0.04 C Shift Assignments>> C :: 171.446(D) CA :: 60.404(D) CB :: 67.775(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.742(D) HA :: 4.651 HB :: 3.839 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.481(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 R 0.17 H 0.15 K 0.15 W 0.12 E 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 176.985(D) CA :: 56.038(D) CB :: 31.630(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.642(D) HA :: 4.599 HB2 :: 1.789 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.159(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.11 L 0.08 D 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 173.327(D) CA :: 58.001(D) CB :: 40.007(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.630(D) HA :: 5.564 HB :: 1.870 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.337(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.21 D 0.2 G 0.14 K 0.03 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 174.337(D) CA :: 52.653(D) CB :: 43.345(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.486(D) HA :: 4.991 HB2 :: 2.667 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.995(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 Y 0.24 F 0.16 E 0.1 V 0.01 M 0.01 C Shift Assignments>> C :: 175.187(D) CA :: 60.593(D) CB :: 37.348(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.546(D) HA :: 4.831 HB :: 1.924 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.101(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 F 0.32 I 0.3 L 0.01 D 0.01 C Shift Assignments>> C :: 174.020(D) CA :: 59.841(D) CB :: 39.460(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.347(D) HA :: 4.292 HB :: 1.851 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 131.211(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 Q 0.17 R 0.16 W 0.13 K 0.1 E 0.1 M 0.09 C Shift Assignments>> C :: 176.934(D) CA :: 53.724(D) CB :: 29.870(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.357(D) HA :: 5.288 HB2 :: 1.729 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.699(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 M 0.17 R 0.15 H 0.13 W 0.13 E 0.1 Q 0.05 V 0.05 C Shift Assignments>> C :: 173.409(D) CA :: 57.700(D) CB :: 32.054(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.880(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.999(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 V 0.38 I 0.05 W 0.03 C Shift Assignments>> C :: 176.145(D) CA :: 63.736(D) CB :: 31.216(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.188 HB2 :: 1.942 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 D 0.37 L 0.13 F 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 176.120(D) CA :: 51.853(D) CB :: 40.502(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.683(D) HA :: 4.500 HB2 :: 2.547 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.205(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 R 0.17 Q 0.16 W 0.14 E 0.11 M 0.1 K 0.08 C Shift Assignments>> C :: 175.972(D) CA :: 54.486(D) CB :: 30.163(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.525(D) HA :: 4.348 HB2 :: 2.030 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.799(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 M 0.15 W 0.13 E 0.13 K 0.12 Q 0.1 V 0.01 C Shift Assignments>> C :: 175.528(D) CA :: 56.300(D) CB :: 31.216(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.250(D) HA :: 4.125 HB2 :: 1.771 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.395(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 M 0.03 G 0.01 C Shift Assignments>> C :: 174.935(D) CA :: 49.506(D) CB :: 18.691(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.200(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.960(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 P 0.31 W 0.1 I 0.04 R 0.03 E 0.03 K 0.02 H 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 176.146(D) CA :: 61.946(D) CB :: 31.403(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.437 HB2 :: 2.070 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 W 0.16 Q 0.15 E 0.15 H 0.14 R 0.12 I 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 176.693(D) CA :: 57.577(D) CB :: 29.215(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.342(D) HA :: 4.001 HB2 :: 2.018 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.084(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.71 D 0.08 Y 0.06 F 0.05 E 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 174.577(D) CA :: 52.633(D) CB :: 37.678(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.218(D) HA :: 4.756 HB2 :: 2.796 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.018(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.27 K 0.2 E 0.09 H 0.04 R 0.04 W 0.02 Y 0.01 V 0.01 HN Overlap>> 1.I65 1.I65 C Shift Assignments>> C :: 176.152(D) CA :: 56.030(D) CB :: 34.405(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.873(D) HA :: 4.351 HB2 :: 1.992 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.732(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.767(D) CA :: 56.826(D) CB :: 64.743(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.667(D) HA :: 4.680 HB2 :: 4.019 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.240(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.33 I 0.1 D 0.08 L 0.06 N 0.03 C Shift Assignments>> C :: 178.777(D) CA :: 57.566(D) CB :: 39.343(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.758(D) HA :: 4.361 HB2 :: 2.850 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.472(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 R 0.15 E 0.14 H 0.13 K 0.12 M 0.1 V 0.08 Q 0.07 I 0.01 C Shift Assignments>> C :: 179.207(D) CA :: 58.850(D) CB :: 31.331(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.194(D) HA :: 4.101 HB2 :: 1.786 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.966(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 K 0.16 E 0.14 Q 0.13 H 0.11 I 0.1 R 0.09 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 179.268(D) CA :: 58.810(D) CB :: 28.898(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.572(D) HA :: 4.169 HB2 :: 2.055 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.501(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 V 0.12 Y 0.03 F 0.02 C Shift Assignments>> C :: 178.109(D) CA :: 64.710(D) CB :: 36.829(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.270(D) HA :: 3.827 HB :: 1.970 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.789(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 W 0.15 R 0.14 K 0.12 Q 0.11 E 0.1 H 0.08 L 0.04 M 0.01 C Shift Assignments>> C :: 178.750(D) CA :: 59.160(D) CB :: 28.007(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.810(D) HA :: 4.125 HB2 :: 2.192 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.490(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 I 0.17 W 0.14 Q 0.12 K 0.1 E 0.09 H 0.08 L 0.07 HN Overlap>> 1.L120 1.L120 C Shift Assignments>> C :: 178.896(D) CA :: 58.824(D) CB :: 27.679(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.574(D) HA :: 4.077 HB2 :: 2.079 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.501(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.61 P 0.21 I 0.16 C Shift Assignments>> C :: 178.137(D) CA :: 66.489(D) CB :: 30.527(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.832(D) HA :: 3.830 HB :: 1.861 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.782(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 R 0.14 V 0.13 E 0.13 H 0.11 K 0.1 M 0.07 Q 0.06 I 0.02 P 0.01 C Shift Assignments>> C :: 180.342(D) CA :: 59.633(D) CB :: 31.226(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.144(D) HA :: 4.162 HB2 :: 1.860 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.968(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 W 0.17 K 0.14 Q 0.12 E 0.12 R 0.1 H 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 178.413(D) CA :: 59.174(D) CB :: 28.337(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.685(D) HA :: 4.134 HB2 :: 2.141 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.514(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 R 0.14 V 0.13 E 0.12 K 0.11 H 0.11 M 0.08 Q 0.05 I 0.02 P 0.01 C Shift Assignments>> C :: 180.225(D) CA :: 59.543(D) CB :: 31.407(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.827(D) HA :: 3.941 HB2 :: 1.845 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.554(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> W 0.19 K 0.14 E 0.14 I 0.14 Q 0.11 H 0.1 R 0.09 M 0.02 V 0.01 C Shift Assignments>> C :: 178.768(D) CA :: 59.405(D) CB :: 29.066(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.871(D) HA :: 17.906(A) HB2 :: 16.020(A) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.963(D) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (H > HA : 1.0000) (H > HB2 : 1.0000) 1.G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 175.750(D) CA :: 47.205(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.459(D) HA2 :: 3.864 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.737(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 Q 0.13 I 0.13 W 0.12 L 0.11 K 0.08 H 0.08 E 0.08 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> C :: 179.621(D) CA :: 58.251(D) CB :: 27.395(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.981(D) HA :: 3.920 HB2 :: 2.099 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.077(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.16 K 0.12 H 0.12 R 0.12 Q 0.11 I 0.07 M 0.03 V 0.02 C Shift Assignments>> C :: 178.934(D) CA :: 59.009(D) CB :: 29.620(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.127(D) HA :: 3.970 HB2 :: 1.936 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.295(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.88 Y 0.04 V 0.03 F 0.03 HN Overlap>> 1.M49 1.M49 C Shift Assignments>> C :: 177.857(D) CA :: 64.877(D) CB :: 37.645(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.787(D) HA :: 3.669 HB :: 2.108 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.731(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.32 D 0.1 L 0.09 I 0.09 N 0.02 K 0.01 C Shift Assignments>> C :: 179.466(D) CA :: 57.591(D) CB :: 39.925(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.479(D) HA :: 3.889 HB2 :: 1.665 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.154(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.6 M 0.38 C Shift Assignments>> C :: 178.851(D) CA :: 53.508(D) CB :: 17.615(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.339(D) HA :: 4.252 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.093(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 K 0.17 H 0.15 R 0.14 Q 0.09 W 0.08 E 0.05 C Shift Assignments>> C :: 175.624(D) CA :: 53.864(D) CB :: 32.325(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.398(D) HA :: 4.453 HB2 :: 2.057 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.025(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 Y 0.25 F 0.21 E 0.01 C Shift Assignments>> C :: 175.568(D) CA :: 61.041(D) CB :: 38.492(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.164(D) HA :: 4.130 HB :: 1.860 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.617(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 R 0.18 Q 0.16 W 0.14 M 0.12 E 0.1 K 0.05 C Shift Assignments>> C :: 176.728(D) CA :: 53.913(D) CB :: 30.248(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.660(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.701(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P71 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Indeterminable PRTL>> V 0.45 P 0.45 I 0.07 W 0.01 C Shift Assignments>> C :: 177.399(D) CA :: 64.975(D) CB :: 30.972(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 18.431(A) HB2 :: 16.256(A) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.27 L 0.27 Q 0.13 H 0.08 W 0.08 E 0.05 K 0.05 I 0.03 C Shift Assignments>> C :: 176.576(D) CA :: 56.145(D) CB :: 27.032(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.041(D) HA :: 4.448 HB2 :: 2.048 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 111.801(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.685(D) CA :: 60.004(D) CB :: 62.492(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.313(D) HA :: 4.276 HB2 :: 3.533 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.138(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.629(D) CA :: 62.593(D) CB :: 68.510(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.801(D) HA :: 3.899 HB :: 3.691 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.942(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 W 0.13 P 0.1 K 0.1 R 0.07 H 0.05 E 0.05 M 0.05 Q 0.02 I 0.01 C Shift Assignments>> C :: 174.341(D) CA :: 60.743(D) CB :: 32.157(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.802(D) HA :: 4.714 HB :: 2.036 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 131.484(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 I 0.27 F 0.27 E 0.05 M 0.01 L 0.01 C Shift Assignments>> C :: 176.212(D) CA :: 59.184(D) CB :: 38.248(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.390(D) HA :: 5.401 HB :: 1.237 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 131.102(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.76 S 0.23 C Shift Assignments>> C :: 173.511(D) CA :: 58.765(D) CB :: 67.449(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.918(D) HA :: 4.521 HB :: 3.969 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.320(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.64 D 0.1 Y 0.08 F 0.07 E 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 176.120(D) CA :: 53.180(D) CB :: 37.950(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.902(D) HA :: 4.355 HB2 :: 1.360 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.746(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.23 K 0.19 H 0.08 R 0.08 W 0.04 E 0.02 HN Overlap>> 1.A158 1.A158 C Shift Assignments>> C :: 177.020(D) CA :: 54.243(D) CB :: 33.410(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.110(D) HA :: 4.636 HB2 :: 2.104 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.701(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.84 V 0.06 Y 0.04 F 0.03 C Shift Assignments>> C :: 177.687(D) CA :: 64.489(D) CB :: 37.245(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.651(D) HA :: 3.952 HB :: 1.876 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.798(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.37 R 0.25 K 0.11 Q 0.1 H 0.06 W 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 175.829(D) CA :: 55.026(D) CB :: 26.425(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.180(D) HA :: 4.546 HB2 :: 2.196 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.622(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.38 L 0.31 G 0.13 D 0.05 F 0.05 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.186(D) CA :: 43.640(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.450(D) HA2 :: 3.835 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.437(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 R 0.17 H 0.15 K 0.14 W 0.12 E 0.11 Q 0.08 V 0.01 HN Overlap>> 1.Q63 1.Q63 C Shift Assignments>> C :: 176.650(D) CA :: 56.300(D) CB :: 31.531(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.933(D) HA :: 4.184 HB2 :: 1.814 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.088(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 R 0.17 H 0.17 K 0.16 W 0.1 E 0.08 Q 0.07 HN Overlap>> 1.I5 1.I5 C Shift Assignments>> C :: 175.460(D) CA :: 54.671(D) CB :: 31.840(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.466(D) HA :: 4.952 HB2 :: 2.086 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.000(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L85 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> G 0.73 L 0.18 R 0.03 D 0.03 C Shift Assignments>> C :: 176.468(D) CA :: 53.182(D) CB :: 44.961(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.826(D) HA :: 18.513(A) HB2 :: 15.557(A) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.650(D) Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (H > HA : 0.9998) (H > HB2 : 1.0000) 1.S86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.126(D) CA :: 56.198(D) CB :: 64.751(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.067(D) HA :: 4.515 HB2 :: 4.033 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.236(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.169(D) CA :: 56.509(D) CB :: 61.771(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.899(D) HA :: 4.319 HB2 :: 3.839 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.308(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E88 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> I 0.33 R 0.15 W 0.13 Q 0.08 K 0.07 E 0.07 H 0.06 L 0.04 P 0.03 C Shift Assignments>> C :: 178.757(D) CA :: 59.913(D) CB :: 27.590(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.973(D) HA :: 4.313 HB2 :: 2.053 HB3 :: 15.986(A) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.580(D) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (H > HB3 : 1.0000) (HA > HB3 : 1.0000) 1.G89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.627(D) CA :: 46.464(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.390(D) HA2 :: 4.279 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.896(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.34 I 0.1 D 0.08 L 0.07 N 0.02 C Shift Assignments>> C :: 177.527(D) CA :: 57.636(D) CB :: 39.578(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.313(D) HA :: 4.065 HB2 :: 1.247 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.628(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.31 I 0.05 C Shift Assignments>> C :: 178.659(D) CA :: 55.498(D) CB :: 17.910(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.653(D) HA :: 4.614 HB1 :: 1.247 HB2 :: 1.247 HB3 :: 1.247 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.070(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 R 0.16 W 0.13 Q 0.09 K 0.08 E 0.07 H 0.06 L 0.04 P 0.01 HN Overlap>> 1.S103 1.Q121 1.S103 1.Q121 C Shift Assignments>> C :: 178.265(D) CA :: 59.639(D) CB :: 27.600(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.168(D) HA :: 4.085 HB2 :: 2.165 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.601(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.16 Q 0.14 E 0.13 I 0.11 H 0.11 R 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 178.942(D) CA :: 58.635(D) CB :: 28.529(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.944(D) HA :: 4.000 HB2 :: 2.001 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.662(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.31 L 0.1 D 0.1 I 0.09 K 0.02 N 0.02 C Shift Assignments>> C :: 178.341(D) CA :: 57.700(D) CB :: 40.077(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.032(D) HA :: 3.487 HB2 :: 1.843 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.726(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.3 D 0.12 L 0.08 N 0.07 I 0.07 E 0.01 C Shift Assignments>> C :: 178.503(D) CA :: 56.797(D) CB :: 39.227(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.528(D) HA :: 4.414 HB2 :: 2.974 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.967(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 R 0.23 W 0.11 Q 0.09 L 0.09 H 0.06 E 0.06 K 0.05 C Shift Assignments>> C :: 178.786(D) CA :: 59.169(D) CB :: 27.079(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.573(D) HA :: 4.048 HB2 :: 2.134 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.257(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 W 0.18 K 0.13 E 0.11 Q 0.1 H 0.08 R 0.06 L 0.01 V 0.01 P 0.01 M 0.01 HN Overlap>> 1.V119 1.K27 1.V119 1.K27 C Shift Assignments>> C :: 179.259(D) CA :: 59.814(D) CB :: 28.470(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.551(D) HA :: 4.214 HB2 :: 1.934 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.428(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 W 0.14 R 0.13 V 0.12 M 0.12 H 0.11 E 0.09 Q 0.05 C Shift Assignments>> C :: 181.293(D) CA :: 58.898(D) CB :: 32.168(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.733(D) HA :: 4.978 HB2 :: 2.233 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.081(D) Ave N Shift Values>> N :: 120.09(3.57) 1.T99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.814(D) CA :: 65.700(D) CB :: 68.474(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.505(D) HB :: 4.206 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.275(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q100 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> R 0.19 Q 0.17 L 0.14 K 0.12 H 0.12 W 0.1 E 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 176.252(D) CA :: 55.828(D) CB :: 27.877(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.410(D) HA :: 18.410(A) HB2 :: 16.302(A) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.431(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (H > HA : 1.0000) (H > HB2 : 1.0000) 1.G101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.17 R 0.05 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.731(D) CA :: 44.884(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.626(D) HA2 :: 4.042 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.413(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 Q 0.16 L 0.16 K 0.11 H 0.11 W 0.1 E 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 175.062(D) CA :: 56.093(D) CB :: 27.712(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.926(D) HA :: 4.304 HB2 :: 1.912 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.099(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Q121 1.Q92 1.Q121 1.Q92 C Shift Assignments>> C :: 171.740(D) CA :: 57.471(D) CB :: 65.147(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.195(D) HA :: 4.626 HB2 :: 3.870 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.598(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D104 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> L 0.31 D 0.3 R 0.12 K 0.09 N 0.05 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 173.900(D) CA :: 52.757(D) CB :: 42.486(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.622(D) HA :: 4.195 HB2 :: 2.757 HD2 :: 7.620(A) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.397(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 L 0.19 Y 0.18 D 0.18 K 0.14 N 0.03 I 0.02 R 0.01 C Shift Assignments>> C :: 175.060(D) CA :: 56.660(D) CB :: 40.918(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.480(D) HA :: 5.103 HB2 :: 2.826 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.295(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 K 0.17 Q 0.13 M 0.1 W 0.07 R 0.05 H 0.04 E 0.02 I 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 174.363(D) CA :: 60.067(D) CB :: 33.577(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.316(D) HA :: 4.965 HB :: 2.084 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.464(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.23 D 0.19 F 0.12 Y 0.08 R 0.07 N 0.02 C Shift Assignments>> C :: 175.100(D) CA :: 55.832(D) CB :: 41.826(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.343(D) HA :: 5.549 HB2 :: 3.024 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.231(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 K 0.12 Q 0.08 W 0.06 M 0.06 P 0.06 R 0.04 H 0.03 I 0.02 E 0.02 C Shift Assignments>> C :: 174.216(D) CA :: 60.787(D) CB :: 33.443(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.854(D) HA :: 5.093 HB :: 1.834 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.552(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 Y 0.31 F 0.26 E 0.02 C Shift Assignments>> C :: 175.988(D) CA :: 59.993(D) CB :: 38.485(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.713(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.583(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.37 L 0.29 R 0.21 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.911(D) CA :: 44.211(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.097(D) HA2 :: 4.015 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.370(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.31 G 0.15 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.159(D) CA :: 43.703(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.637(D) HA2 :: 3.996 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.903(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.427(D) CA :: 61.125(D) CB :: 62.590(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.999(D) HA :: 4.197 HB2 :: 3.714 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.106(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N113 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> N 0.47 D 0.25 F 0.09 Y 0.08 L 0.08 C Shift Assignments>> C :: 174.327(D) CA :: 53.373(D) CB :: 39.315(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.722(D) HA :: 18.628(A) HB2 :: 16.333(A) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.708(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (H > HA : 1.0000) (H > HB2 : 1.0000) 1.G114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.31 G 0.21 D 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.932(D) CA :: 43.881(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.454(D) HA2 :: 3.831 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.184(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.5 L 0.27 R 0.1 D 0.07 F 0.01 C Shift Assignments>> C :: 175.760(D) CA :: 53.010(D) CB :: 44.386(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.428(D) HA :: 4.725 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.396(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 M 0.17 R 0.14 H 0.12 W 0.12 E 0.09 Q 0.07 V 0.05 C Shift Assignments>> C :: 175.881(D) CA :: 57.681(D) CB :: 32.184(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.012(D) HA :: 4.101 HB2 :: 2.901 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.101(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 E 0.15 R 0.15 H 0.13 K 0.09 Q 0.08 V 0.07 M 0.07 I 0.02 C Shift Assignments>> C :: 176.971(D) CA :: 59.072(D) CB :: 30.922(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.038(D) HB2 :: 1.603 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.598(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.31 I 0.13 D 0.05 E 0.04 L 0.03 N 0.03 M 0.01 C Shift Assignments>> C :: 179.620(D) CA :: 57.673(D) CB :: 38.641(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.976(D) HA :: 4.036 HB2 :: 2.638 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.030(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 P 0.36 I 0.18 W 0.02 HN Overlap>> 1.R97 1.R97 C Shift Assignments>> C :: 177.661(D) CA :: 64.956(D) CB :: 30.368(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.643(D) HA :: 3.898 HB :: 1.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.451(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.33 I 0.12 D 0.06 L 0.05 N 0.03 E 0.01 HN Overlap>> 1.Q56 1.E24 1.Q56 1.E24 C Shift Assignments>> C :: 180.104(D) CA :: 57.680(D) CB :: 39.020(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.465(D) HA :: 4.564 HB2 :: 1.503 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.502(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 Q 0.14 W 0.13 K 0.11 E 0.09 H 0.09 I 0.09 L 0.09 M 0.01 HN Overlap>> 1.S103 1.S103 1.Q92 1.Q92 C Shift Assignments>> C :: 176.468(D) CA :: 57.953(D) CB :: 27.733(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.164(D) HA :: 4.020 HB2 :: 2.092 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.590(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 H 0.18 K 0.16 W 0.12 R 0.11 L 0.08 E 0.07 M 0.04 C Shift Assignments>> C :: 175.349(D) CA :: 53.547(D) CB :: 28.605(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.900(D) HA :: 4.527 HB2 :: 2.128 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.109(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.955(D) CA :: 58.923(D) CB :: 62.620(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.982(D) HB2 :: 3.771 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.112(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.18 N 0.15 F 0.15 Y 0.12 K 0.04 C Shift Assignments>> C :: 174.288(D) CA :: 54.867(D) CB :: 40.405(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.540(D) HA :: 4.189 HB2 :: 2.443 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.914(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.26 L 0.03 D 0.01 K 0.01 C Shift Assignments>> C :: 171.536(D) CA :: 59.695(D) CB :: 39.925(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.237(D) HA :: 4.149 HB2 :: 2.925 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.296(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 M 0.01 L 0.01 C Shift Assignments>> C :: 175.163(D) CA :: 50.102(D) CB :: 20.265(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.416(D) HA :: 4.077 HB1 :: 1.088 HB2 :: 1.088 HB3 :: 1.088 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.207(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.11 C Shift Assignments>> C :: 173.708(D) CA :: 53.405(D) CB :: 46.335(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.123(D) HA :: 4.661 HB2 :: 1.294 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.953(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.012(D) CA :: 55.184(D) CB :: 64.558(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.265(D) HA :: 4.272 HB2 :: 3.735 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.207(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F129 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 L 0.14 D 0.13 K 0.08 I 0.05 N 0.02 C Shift Assignments>> C :: 176.308(D) CA :: 57.374(D) CB :: 40.567(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.682(D) HA :: 18.919(A) HB2 :: 17.145(A) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.397(D) Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (H > HA : 0.9993) (H > HB2 : 1.0000) 1.S130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.356(D) CA :: 57.389(D) CB :: 63.054(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.750(D) HA :: 4.416 HB2 :: 4.066 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.408(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 M 0.14 W 0.14 E 0.13 K 0.11 Q 0.1 V 0.01 C Shift Assignments>> C :: 178.763(D) CA :: 56.540(D) CB :: 31.178(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.084(D) HA :: 4.320 HB2 :: 1.952 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.899(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.21 R 0.13 Q 0.12 H 0.12 W 0.08 E 0.06 V 0.02 C Shift Assignments>> C :: 173.635(D) CA :: 56.243(D) CB :: 32.545(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.756(D) HA :: 4.025 HB2 :: 1.235 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.621(D) Ave N Shift Values>> N :: 120.09(3.57) 1.T133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.790(D) CA :: 62.008(D) CB :: 69.405(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.374(D) HB :: 4.054 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.965(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.83 D 0.04 M 0.03 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 174.023(D) CA :: 50.681(D) CB :: 37.253(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.086(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.702(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P135 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.2 E 0.17 R 0.15 H 0.14 Q 0.1 K 0.07 M 0.06 V 0.05 I 0.02 C Shift Assignments>> C :: 177.740(D) CA :: 58.775(D) CB :: 30.623(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> H :: 7.678(U) HA :: 7.676(A) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 119.000 Ave N Shift Values>> N :: 134.16(6.62) 1.H136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> W 0.17 K 0.16 E 0.13 Q 0.13 I 0.12 H 0.11 R 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 178.207(D) CA :: 58.802(D) CB :: 28.573(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 5.780(S) HA :: 4.261 HB2 :: 3.257 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.175(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 R 0.2 K 0.13 L 0.09 W 0.08 Q 0.06 H 0.03 E 0.03 P 0.02 C Shift Assignments>> C :: 176.602(D) CA :: 59.633(D) CB :: 26.293(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.040(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.276(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.22 M 0.21 Q 0.15 R 0.12 H 0.1 W 0.08 E 0.06 V 0.02 C Shift Assignments>> C :: 177.966(D) CA :: 56.654(D) CB :: 32.754(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.076(S) HA :: 3.966 HB2 :: 1.875 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.318(D) Ave N Shift Values>> N :: 120.09(3.57) 1.M139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.15 W 0.14 K 0.13 E 0.13 M 0.13 Q 0.08 V 0.02 C Shift Assignments>> C :: 177.018(D) CA :: 57.085(D) CB :: 31.407(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.976(D) HA :: 4.240 HB2 :: 2.407 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.615(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 E 0.17 R 0.14 H 0.13 Q 0.1 K 0.08 I 0.06 V 0.04 M 0.04 C Shift Assignments>> C :: 176.501(D) CA :: 59.192(D) CB :: 30.118(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.025(D) HA :: 3.652 HB2 :: 1.826 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.509(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 P 0.42 I 0.08 W 0.01 C Shift Assignments>> C :: 176.440(D) CA :: 65.171(D) CB :: 30.891(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.775(D) HA :: 3.770 HB :: 1.932 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.862(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.32 I 0.2 W 0.02 C Shift Assignments>> C :: 177.827(D) CA :: 65.410(D) CB :: 30.332(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.044(D) HA :: 4.216 HB :: 1.713 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.605(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.32 L 0.1 D 0.09 I 0.09 K 0.02 N 0.02 C Shift Assignments>> C :: 177.284(D) CA :: 57.692(D) CB :: 39.999(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.737(D) HA :: 3.757 HB2 :: 1.882 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.799(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.83 V 0.11 Y 0.02 F 0.01 C Shift Assignments>> C :: 175.967(D) CA :: 65.376(D) CB :: 36.947(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.497(D) HA :: 3.489 HB :: 1.738 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.213(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.45 R 0.13 W 0.1 P 0.09 Q 0.05 E 0.04 H 0.03 K 0.03 L 0.03 C Shift Assignments>> C :: 178.221(D) CA :: 60.573(D) CB :: 27.269(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.638(D) HA :: 3.417 HB2 :: 1.244(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.496(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.27 L 0.18 Q 0.13 W 0.1 I 0.09 H 0.07 E 0.06 K 0.05 C Shift Assignments>> C :: 178.803(D) CA :: 57.656(D) CB :: 27.018(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.069(D) HA :: 4.236 HB2 :: 2.032 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.518(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 I 0.33 P 0.09 C Shift Assignments>> C :: 177.025(D) CA :: 66.993(D) CB :: 29.988(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.305(D) HA :: 4.319 HB :: 2.107 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.197(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 Y 0.17 E 0.15 F 0.1 V 0.07 M 0.02 K 0.01 C Shift Assignments>> C :: 175.753(D) CA :: 60.966(D) CB :: 36.532(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.847(D) HA :: 4.388 HB2 :: 3.102 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.431(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 E 0.16 R 0.13 H 0.12 Q 0.1 K 0.1 I 0.07 M 0.03 V 0.03 C Shift Assignments>> C :: 177.892(D) CA :: 59.188(D) CB :: 29.921(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.850(D) HA :: 4.446 HB2 :: 2.003 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.705(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.77 A 0.2 I 0.02 C Shift Assignments>> C :: 179.800(D) CA :: 54.736(D) CB :: 15.827(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.485(D) HA :: 3.942 HB1 :: 1.234 HB2 :: 1.234 HB3 :: 1.234 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.899(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.74 Y 0.11 F 0.07 V 0.04 E 0.01 C Shift Assignments>> C :: 178.082(D) CA :: 62.890(D) CB :: 37.248(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.972(D) HA :: 4.145 HB2 :: 2.776 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.084(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 E 0.18 R 0.14 H 0.14 Q 0.12 I 0.07 M 0.04 K 0.04 V 0.02 C Shift Assignments>> C :: 179.872(D) CA :: 58.930(D) CB :: 29.787(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.672(D) HA :: 4.087 HB2 :: 1.830 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.212(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.86 V 0.05 Y 0.04 F 0.03 HN Overlap>> 1.E157 1.E157 C Shift Assignments>> C :: 179.770(D) CA :: 64.743(D) CB :: 37.299(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.163(D) HA :: 4.604 HB :: 1.963 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.317(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 Q 0.18 M 0.16 V 0.13 R 0.08 W 0.08 H 0.07 E 0.04 C Shift Assignments>> C :: 177.821(D) CA :: 58.711(D) CB :: 33.276(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.410(D) HA :: 3.822 HB2 :: 1.970 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.316(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R155 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.15 W 0.14 R 0.13 E 0.13 M 0.05 L 0.01 C Shift Assignments>> C :: 177.115(D) CA :: 55.515(D) CB :: 29.424(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.836(D) HA :: 18.431(A) HB2 :: 16.041(A) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.590(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (H > HA : 0.9994) (H > HB2 : 1.0000) 1.G156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.798(D) CA :: 45.646(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.790(D) HA2 :: 3.968 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.938(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 R 0.15 E 0.15 W 0.15 K 0.11 M 0.07 HN Overlap>> 1.I153 1.I153 C Shift Assignments>> C :: 176.479(D) CA :: 56.151(D) CB :: 29.934(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.201(D) HA :: 4.281 HB2 :: 1.915 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.318(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.2 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> C :: 177.595(D) CA :: 52.425(D) CB :: 18.075(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.150(D) HA :: 4.168 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.693(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.27 I 0.24 E 0.08 M 0.01 D 0.01 L 0.01 C Shift Assignments>> C :: 175.473(D) CA :: 58.873(D) CB :: 38.103(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.960(D) HA :: 4.278 HB2 :: 3.046 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.493(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.15 R 0.13 W 0.13 E 0.13 M 0.05 L 0.01 HN Overlap>> 1.H166 1.H166 C Shift Assignments>> C :: 174.446(D) CA :: 55.456(D) CB :: 29.414(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.259(D) HA :: 4.555 HB2 :: 3.172 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.176(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.19 R 0.15 H 0.14 W 0.1 E 0.08 Q 0.07 V 0.01 C Shift Assignments>> C :: 176.227(D) CA :: 56.011(D) CB :: 32.132(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.042(D) HA :: 4.335 HB2 :: 1.763 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.004(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.16 H 0.16 W 0.14 E 0.14 R 0.13 M 0.04 I 0.01 L 0.01 C Shift Assignments>> C :: 176.974(D) CA :: 56.322(D) CB :: 29.301(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.440(D) HA :: 4.278 HB2 :: 1.993 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.805(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 174.736(D) CA :: 45.103(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.368(D) HA2 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.659(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 174.327(D) CA :: 44.930(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.221(D) HA2 :: 3.995 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.101(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.557(D) CA :: 58.037(D) CB :: 63.045(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.152(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.687(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 HN Overlap>> 1.H160 1.H160 C Shift Assignments>> CA :: 55.582 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.365 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.200 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H170 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H171 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 7 #Clerical: 150 #Suspicious: 3 #Anomalous: 11 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 165 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 163 #Suspicious: 8 C Shift Results: #Consistent: 1 #Duplicate: 480 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 291 #Duplicate: 156 #Unknown: 1 #Suspicious: 3 #Anomalous: 19 N Shift Results: #Consistent: 2 #Duplicate: 158 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S2 C = 170.456(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5481e-02 1.S2 CA = 57.287(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.8877e-01 1.S2 CB = 62.767(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.8519e-01 1.L3 C = 175.974(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.0786e-01 1.L3 CA = 55.314(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8577e-01 1.L3 CB = 42.745(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1702e-01 1.L3 H = 8.424(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6535e-01 1.L3 N = 123.897(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0146e-01 1.K4 C = 173.842(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.6181e-01 1.K4 CA = 56.034(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.7714e-01 1.K4 CB = 34.593(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.1110e-01 1.K4 H = 8.821(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9295e-01 1.K4 N = 126.697(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.3416e-01 1.I5 C = 174.599(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.1468e-01 1.I5 CA = 58.936(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1840e-01 1.I5 CB = 38.616(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9447e-01 1.I5 H = 8.417(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4033e-01 1.I5 N = 125.041(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0277e-01 1.T6 C = 174.053(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.8201e-01 1.T6 CA = 60.998(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3706e-01 1.T6 CB = 70.614(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.8759e-01 1.T6 H = 9.117(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.5721e-01 1.T6 N = 124.620(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2765e-02 1.I7 C = 172.377(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.0474e-02 1.I7 CA = 60.508(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.8093e-01 1.I7 CB = 38.020(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.6267e-01 1.I7 H = 9.145(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0335e-01 1.I7 N = 127.598(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.5154e-01 1.L8 C = 173.178(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.4198e-02 1.L8 CA = 53.090(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3491e-01 1.L8 CB = 43.205(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3403e-01 1.L8 H = 9.310(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6605e-02 1.L8 N = 132.159(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2718e-03 1.A9 C = 175.157(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.2525e-01 1.A9 CA = 48.986(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5907e-02 1.A9 CB = 21.377(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.9586e-01 1.A9 H = 8.619(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8497e-01 1.A9 N = 126.167(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.0673e-01 1.V10 C = 176.883(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.0622e-01 1.V10 CA = 61.816(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.1369e-01 1.V10 CB = 31.050(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4796e-01 1.V10 H = 7.564(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.7855e-01 1.V10 N = 121.726(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9730e-01 1.G11 C = 171.914(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.9814e-01 1.G11 CA = 43.160(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0219e-01 1.G11 H = 8.964(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2937e-01 1.G11 N = 117.895(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3560e-02 1.K12 C = 177.321(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.3348e-01 1.K12 CA = 54.739(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.1490e-01 1.K12 CB = 32.062(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8255e-01 1.K12 H = 8.161(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6145e-01 1.K12 N = 121.207(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6678e-01 1.L13 C = 177.200(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1553e-01 1.L13 CA = 55.011(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7494e-01 1.L13 CB = 41.278(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8305e-01 1.L13 H = 8.790(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8894e-01 1.L13 N = 126.453(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3892e-01 1.K14 C = 177.194(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.8178e-01 1.K14 CA = 57.017(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.7570e-01 1.K14 CB = 33.006(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0342e-01 1.K14 H = 8.870(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5707e-01 1.K14 N = 124.304(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8807e-01 1.E15 C = 177.876(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.0593e-01 1.E15 CA = 57.517(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.2490e-01 1.E15 CB = 27.584(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5840e-01 1.E15 H = 8.604(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4236e-01 1.E15 N = 119.900(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2489e-01 1.K16 C = 177.927(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.1990e-01 1.K16 CA = 59.287(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8811e-01 1.K16 CB = 31.106(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.4411e-01 1.K16 H = 8.752(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.4893e-01 1.K16 N = 124.806(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1911e-01 1.Y17 C = 177.739(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.3984e-01 1.Y17 CA = 57.337(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.5205e-01 1.Y17 CB = 35.582(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.3531e-02 1.Y17 H = 6.427(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.5101e-03 1.Y17 N = 112.109(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.5218e-02 1.W18 C = 178.140(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.1491e-01 1.W18 CA = 57.700(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.8763e-01 1.W18 CB = 28.528(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.6093e-01 1.W18 H = 10.440(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.4983e-03 1.W18 N = 130.336(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.8376e-02 1.K19 C = 179.758(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.1900e-01 1.K19 CA = 59.526(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4164e-01 1.K19 CB = 30.834(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.7182e-01 1.K19 H = 7.304(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3976e-01 1.K19 N = 117.800(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8865e-01 1.Q20 C = 177.712(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.7216e-01 1.Q20 CA = 58.024(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9686e-01 1.Q20 CB = 27.578(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.7577e-01 1.Q20 H = 8.045(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6676e-01 1.Q20 N = 118.853(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7330e-01 1.A21 C = 178.980(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.6046e-01 1.A21 CA = 54.351(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.4079e-01 1.A21 CB = 17.675(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.6569e-01 1.A21 H = 7.032(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1575e-02 1.A21 N = 122.499(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.3640e-01 1.I22 C = 177.346(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.3588e-01 1.I22 CA = 64.390(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9959e-01 1.I22 CB = 36.331(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.5507e-01 1.I22 H = 7.708(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.0025e-01 1.I22 N = 116.014(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0322e-01 1.A23 C = 180.668(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6924e-01 1.A23 CA = 54.301(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5763e-01 1.A23 CB = 17.212(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2585e-01 1.A23 H = 7.804(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.0925e-01 1.A23 N = 121.198(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.6596e-01 1.E24 C = 178.875(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0385e-01 1.E24 CA = 58.517(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6683e-01 1.E24 CB = 27.535(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5016e-01 1.E24 H = 7.405(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1693e-01 1.E24 N = 118.505(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3386e-01 1.Y25 C = 177.670(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.5399e-01 1.Y25 CA = 62.804(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.2582e-02 1.Y25 CB = 38.034(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.5160e-01 1.Y25 H = 7.341(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.7989e-01 1.Y25 N = 117.447(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.6437e-01 1.E26 C = 179.503(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.7693e-01 1.E26 CA = 60.380(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4316e-01 1.E26 CB = 28.694(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.4420e-01 1.E26 H = 8.947(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9567e-01 1.E26 N = 121.336(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4823e-01 1.K27 C = 180.154(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.8918e-02 1.K27 CA = 58.864(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8430e-01 1.K27 CB = 30.950(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.0127e-01 1.K27 H = 7.574(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0458e-01 1.K27 N = 119.320(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.4632e-01 1.R28 C = 177.499(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.9165e-01 1.R28 CA = 57.991(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9710e-01 1.R28 CB = 28.708(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.7636e-01 1.R28 H = 7.519(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.3722e-01 1.R28 N = 118.963(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.1765e-01 1.L29 C = 177.162(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3078e-01 1.L29 CA = 56.113(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1696e-01 1.L29 CB = 42.380(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7030e-01 1.L29 H = 7.772(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8105e-01 1.L29 HA = 18.494(A), Expected = 4.32, Std = 0.4700, ChiSquare = 0.0000e+00 1.L29 HB2 = 15.747(A), Expected = 1.61, Std = 0.3400, ChiSquare = 0.0000e+00 1.L29 N = 117.265(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3871e-01 1.L29 SRO Rule Break>> H > HA : 0.999833914632121 1.L29 SRO Rule Break>> H > HB2 : 1 1.G30 C = 172.793(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6673e-01 1.G30 CA = 47.971(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0469e-02 1.G30 H = 7.435(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6854e-01 1.G30 N = 107.363(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5109e-01 1.P31 C = 176.626(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3455e-01 1.P31 CA = 64.019(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.5034e-01 1.P31 CB = 30.832(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.8830e-01 1.Y32 C = 175.562(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.3512e-01 1.Y32 CA = 58.191(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.8061e-01 1.Y32 CB = 38.376(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.6208e-01 1.Y32 H = 8.113(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.7675e-01 1.Y32 N = 114.897(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.8063e-01 1.T33 C = 171.446(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.8755e-02 1.T33 CA = 60.404(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.8320e-01 1.T33 CB = 67.775(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.3038e-01 1.T33 H = 7.742(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.2184e-01 1.T33 N = 113.481(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8312e-01 1.K34 C = 176.985(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.6304e-01 1.K34 CA = 56.038(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.7847e-01 1.K34 CB = 31.630(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.1460e-01 1.K34 H = 7.642(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.6107e-01 1.K34 N = 125.159(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7575e-01 1.I35 C = 173.327(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.8882e-01 1.I35 CA = 58.001(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7810e-01 1.I35 CB = 40.007(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.9544e-01 1.I35 H = 8.630(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0676e-01 1.I35 N = 126.337(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5450e-01 1.D36 C = 174.337(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.3845e-01 1.D36 CA = 52.653(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.1564e-01 1.D36 CB = 43.345(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.2811e-01 1.D36 H = 8.486(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6155e-01 1.D36 N = 126.995(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.0022e-01 1.I37 C = 175.187(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.2986e-01 1.I37 CA = 60.593(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.0433e-01 1.I37 CB = 37.348(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.2565e-01 1.I37 H = 8.546(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9567e-01 1.I37 N = 124.101(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.3720e-01 1.I38 C = 174.020(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.4053e-01 1.I38 CA = 59.841(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.0921e-01 1.I38 CB = 39.460(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.8115e-01 1.I38 H = 9.347(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.1662e-01 1.I38 N = 131.211(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.2710e-02 1.E39 C = 176.934(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.7382e-01 1.E39 CA = 53.724(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5328e-02 1.E39 CB = 29.870(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3513e-01 1.E39 H = 8.357(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6350e-01 1.E39 N = 124.699(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4696e-01 1.V40 C = 173.409(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.4455e-01 1.V40 CA = 57.700(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3969e-02 1.V40 CB = 32.054(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0569e-01 1.V40 H = 8.880(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7854e-01 1.V40 N = 122.999(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8219e-01 1.P41 C = 176.145(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.8867e-01 1.P41 CA = 63.736(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.8939e-01 1.P41 CB = 31.216(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.9107e-01 1.D42 C = 176.120(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.7288e-01 1.D42 CA = 51.853(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6225e-01 1.D42 CB = 40.502(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.1550e-01 1.D42 H = 8.683(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2016e-01 1.D42 N = 119.205(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0814e-01 1.E43 C = 175.972(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.4515e-01 1.E43 CA = 54.486(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.7510e-01 1.E43 CB = 30.163(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2912e-01 1.E43 H = 9.525(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2824e-02 1.E43 N = 122.799(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4068e-01 1.K44 C = 175.528(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.7821e-01 1.K44 CA = 56.300(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6765e-01 1.K44 CB = 31.216(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.7655e-01 1.K44 H = 8.250(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.2034e-01 1.K44 N = 125.395(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.4911e-01 1.A45 C = 174.935(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.8787e-01 1.A45 CA = 49.506(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6454e-02 1.A45 CB = 18.691(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6162e-01 1.A45 H = 8.200(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0000e+00 1.A45 N = 127.960(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.8150e-01 1.P46 C = 176.146(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.8916e-01 1.P46 CA = 61.946(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.6255e-01 1.P46 CB = 31.403(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.0483e-01 1.E47 C = 176.693(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.2768e-01 1.E47 CA = 57.577(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.0213e-01 1.E47 CB = 29.215(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4393e-01 1.E47 H = 8.342(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8377e-01 1.E47 N = 119.084(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4857e-01 1.N48 C = 174.577(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.9864e-01 1.N48 CA = 52.633(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.2949e-01 1.N48 CB = 37.678(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.4930e-01 1.N48 H = 8.218(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4645e-01 1.N48 N = 116.018(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.6994e-01 1.M49 C = 176.152(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.8931e-01 1.M49 CA = 56.030(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.7138e-01 1.M49 CB = 34.405(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.2759e-01 1.M49 H = 7.873(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.1893e-01 1.M49 N = 119.732(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.2012e-01 1.S50 C = 174.767(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.3189e-01 1.S50 CA = 56.826(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6020e-01 1.S50 CB = 64.743(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2402e-01 1.S50 H = 8.667(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1187e-01 1.S50 N = 118.240(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7765e-01 1.D51 C = 178.777(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.7437e-01 1.D51 CA = 57.566(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.5656e-01 1.D51 CB = 39.343(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.4274e-01 1.D51 H = 8.758(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.3987e-01 1.D51 N = 121.472(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.3136e-01 1.K52 C = 179.207(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9932e-01 1.K52 CA = 58.850(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8779e-01 1.K52 CB = 31.331(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.1241e-01 1.K52 H = 8.194(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.9468e-01 1.K52 N = 119.966(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.7370e-01 1.E53 C = 179.268(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.1879e-01 1.E53 CA = 58.810(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7590e-01 1.E53 CB = 28.898(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.1795e-01 1.E53 H = 7.572(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.9888e-01 1.E53 N = 120.501(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6127e-01 1.I54 C = 178.109(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.3937e-01 1.I54 CA = 64.710(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.4739e-01 1.I54 CB = 36.829(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.7262e-01 1.I54 H = 8.270(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8827e-01 1.I54 N = 121.789(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3873e-01 1.E55 C = 178.750(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.3499e-01 1.E55 CA = 59.160(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.7865e-01 1.E55 CB = 28.007(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.4421e-01 1.E55 H = 7.810(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7813e-01 1.E55 N = 119.490(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3455e-01 1.Q56 C = 178.896(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.8479e-01 1.Q56 CA = 58.824(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9222e-01 1.Q56 CB = 27.679(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.0641e-01 1.Q56 H = 7.574(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.7355e-01 1.Q56 N = 118.501(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.9962e-01 1.V57 C = 178.137(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.8526e-01 1.V57 CA = 66.489(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6204e-01 1.V57 CB = 30.527(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.1843e-01 1.V57 H = 7.832(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9424e-01 1.V57 N = 120.782(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3715e-01 1.K58 C = 180.342(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.4170e-02 1.K58 CA = 59.633(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2264e-01 1.K58 CB = 31.226(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.7959e-01 1.K58 H = 8.144(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3889e-01 1.K58 N = 117.968(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1364e-01 1.E59 C = 178.413(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.2878e-01 1.E59 CA = 59.174(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.7504e-01 1.E59 CB = 28.337(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.3072e-01 1.E59 H = 8.685(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4738e-01 1.E59 N = 123.514(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.1379e-01 1.K60 C = 180.225(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.3053e-02 1.K60 CA = 59.543(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3854e-01 1.K60 CB = 31.407(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.3718e-01 1.K60 H = 7.827(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4518e-01 1.K60 N = 120.554(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9533e-01 1.E61 C = 178.768(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.3039e-01 1.E61 CA = 59.405(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1847e-01 1.E61 CB = 29.066(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.8312e-01 1.E61 H = 7.871(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3659e-01 1.E61 HA = 17.906(A), Expected = 4.25, Std = 0.4100, ChiSquare = 0.0000e+00 1.E61 HB2 = 16.020(A), Expected = 2.02, Std = 0.2100, ChiSquare = 0.0000e+00 1.E61 N = 117.963(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3664e-01 1.E61 SRO Rule Break>> H > HA : 1 1.E61 SRO Rule Break>> H > HB2 : 1 1.G62 C = 175.750(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.1731e-01 1.G62 CA = 47.205(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6626e-01 1.G62 H = 8.459(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4268e-01 1.G62 N = 107.737(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1744e-01 1.Q63 C = 179.621(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.9517e-02 1.Q63 CA = 58.251(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.3215e-01 1.Q63 CB = 27.395(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.2400e-01 1.Q63 H = 7.981(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8541e-01 1.Q63 N = 120.077(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.5857e-01 1.R64 C = 178.934(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1374e-01 1.R64 CA = 59.009(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.3241e-01 1.R64 CB = 29.620(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.5508e-01 1.R64 H = 7.127(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.8063e-02 1.R64 N = 118.295(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9606e-01 1.I65 C = 177.857(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9588e-01 1.I65 CA = 64.877(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.2283e-01 1.I65 CB = 37.645(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.2582e-01 1.I65 H = 7.787(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.6845e-01 1.I65 N = 119.731(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8623e-01 1.L66 C = 179.466(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1111e-01 1.L66 CA = 57.591(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5478e-01 1.L66 CB = 39.925(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.0458e-01 1.L66 H = 8.479(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0166e-01 1.L66 N = 117.154(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2756e-01 1.A67 C = 178.851(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.0195e-01 1.A67 CA = 53.508(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5256e-01 1.A67 CB = 17.615(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.4588e-01 1.A67 H = 7.339(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5129e-01 1.A67 N = 119.093(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.4255e-01 1.K68 C = 175.624(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.1145e-01 1.K68 CA = 53.864(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6070e-01 1.K68 CB = 32.325(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9391e-01 1.K68 H = 7.398(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8683e-01 1.K68 N = 115.025(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1001e-01 1.I69 C = 175.568(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.8323e-01 1.I69 CA = 61.041(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3186e-01 1.I69 CB = 38.492(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4553e-01 1.I69 H = 7.164(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0076e-01 1.I69 N = 120.617(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4386e-01 1.K70 C = 176.728(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.6490e-01 1.K70 CA = 53.913(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6745e-01 1.K70 CB = 30.248(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.5327e-01 1.K70 H = 8.660(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.3343e-01 1.K70 N = 129.701(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.1751e-02 1.P71 C = 177.399(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.6734e-01 1.P71 CA = 64.975(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7915e-01 1.P71 CB = 30.972(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.5684e-01 1.P71 HA = 18.431(A), Expected = 4.40, Std = 0.3300, ChiSquare = 0.0000e+00 1.P71 HB2 = 16.256(A), Expected = 2.08, Std = 0.3500, ChiSquare = 0.0000e+00 1.Q72 C = 176.576(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.9150e-01 1.Q72 CA = 56.145(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.4258e-01 1.Q72 CB = 27.032(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.3574e-01 1.Q72 H = 8.041(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6159e-01 1.Q72 N = 111.801(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.4644e-02 1.S73 C = 174.685(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.6985e-01 1.S73 CA = 60.004(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.3507e-01 1.S73 CB = 62.492(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.7681e-01 1.S73 H = 7.313(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0122e-01 1.S73 N = 116.138(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6782e-01 1.T74 C = 172.629(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7757e-01 1.T74 CA = 62.593(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8549e-01 1.T74 CB = 68.510(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.5418e-01 1.T74 H = 8.801(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.6555e-01 1.T74 N = 124.942(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5002e-02 1.V75 C = 174.341(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.0085e-01 1.V75 CA = 60.743(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4131e-01 1.V75 CB = 32.157(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.4888e-01 1.V75 H = 9.802(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4026e-02 1.V75 N = 131.484(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.2702e-02 1.I76 C = 176.212(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.5045e-01 1.I76 CA = 59.184(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6535e-01 1.I76 CB = 38.248(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.5001e-01 1.I76 H = 9.390(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0261e-01 1.I76 N = 131.102(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.4272e-02 1.T77 C = 173.511(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.5878e-01 1.T77 CA = 58.765(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.8221e-01 1.T77 CB = 67.449(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.6170e-01 1.T77 H = 8.918(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7415e-01 1.T77 N = 116.320(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4972e-01 1.L78 C = 176.120(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.6038e-01 1.L78 CA = 53.180(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5199e-01 1.L78 CB = 37.950(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.0387e-02 1.L78 H = 7.902(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1383e-01 1.L78 N = 125.746(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1905e-01 1.E79 C = 177.020(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.3868e-01 1.E79 CA = 54.243(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4095e-01 1.E79 CB = 33.410(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8071e-02 1.E79 H = 8.110(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.0924e-01 1.E79 N = 123.701(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.8377e-01 1.I80 C = 177.687(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.3868e-01 1.I80 CA = 64.489(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8271e-01 1.I80 CB = 37.245(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.9294e-01 1.I80 H = 8.651(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.8535e-01 1.I80 N = 125.798(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.1080e-01 1.Q81 C = 175.829(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.0517e-01 1.Q81 CA = 55.026(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.7061e-01 1.Q81 CB = 26.425(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.2870e-01 1.Q81 H = 8.180(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.4595e-01 1.Q81 N = 117.622(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2869e-01 1.G82 C = 171.186(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.5339e-01 1.G82 CA = 43.640(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0191e-01 1.G82 H = 7.450(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7579e-01 1.G82 N = 106.437(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0349e-01 1.K83 C = 176.650(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9601e-01 1.K83 CA = 56.300(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6765e-01 1.K83 CB = 31.531(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.7938e-01 1.K83 H = 7.933(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6841e-01 1.K83 N = 120.088(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9859e-01 1.M84 C = 175.460(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.3047e-01 1.M84 CA = 54.671(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.1874e-01 1.M84 CB = 31.840(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.0768e-01 1.M84 H = 8.466(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.3135e-01 1.M84 N = 125.000(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.6902e-01 1.L85 C = 176.468(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.9206e-01 1.L85 CA = 53.182(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5237e-01 1.L85 CB = 44.961(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.5851e-01 1.L85 H = 7.826(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.3425e-01 1.L85 HA = 18.513(A), Expected = 4.32, Std = 0.4700, ChiSquare = 0.0000e+00 1.L85 HB2 = 15.557(A), Expected = 1.61, Std = 0.3400, ChiSquare = 0.0000e+00 1.L85 N = 124.650(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7437e-01 1.L85 SRO Rule Break>> H > HA : 0.999833914632121 1.L85 SRO Rule Break>> H > HB2 : 1 1.S86 C = 175.126(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.6862e-01 1.S86 CA = 56.198(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.2309e-01 1.S86 CB = 64.751(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2050e-01 1.S86 H = 8.067(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1809e-01 1.S86 N = 112.236(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5061e-01 1.S87 C = 176.169(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.6781e-01 1.S87 CA = 56.509(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8547e-01 1.S87 CB = 61.771(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.7039e-01 1.S87 H = 8.899(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.9411e-01 1.S87 N = 119.308(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8966e-01 1.E88 C = 178.757(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.3320e-01 1.E88 CA = 59.913(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1473e-01 1.E88 CB = 27.590(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5943e-01 1.E88 H = 8.973(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7579e-01 1.E88 HB3 = 15.986(A), Expected = 1.99, Std = 0.2300, ChiSquare = 0.0000e+00 1.E88 N = 121.580(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9371e-01 1.E88 SRO Rule Break>> H > HB3 : 1 1.E88 SRO Rule Break>> HA > HB3 : 1 1.G89 C = 176.627(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.4251e-01 1.G89 CA = 46.464(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.0578e-01 1.G89 H = 8.390(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G89 N = 110.896(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.5140e-01 1.L90 C = 177.527(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8623e-01 1.L90 CA = 57.636(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4390e-01 1.L90 CB = 39.578(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.4617e-01 1.L90 H = 8.313(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9839e-01 1.L90 N = 125.628(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3397e-01 1.A91 C = 178.659(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.6614e-01 1.A91 CA = 55.498(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3369e-01 1.A91 CB = 17.910(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4778e-01 1.A91 H = 7.653(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6194e-01 1.A91 N = 121.070(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4175e-01 1.Q92 C = 178.265(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.1607e-01 1.Q92 CA = 59.639(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5154e-01 1.Q92 CB = 27.600(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.8232e-01 1.Q92 H = 8.168(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2977e-01 1.Q92 N = 116.601(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.6092e-01 1.E93 C = 178.942(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.8798e-01 1.E93 CA = 58.635(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2923e-01 1.E93 CB = 28.529(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.8921e-01 1.E93 H = 7.944(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1296e-01 1.E93 N = 121.662(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7560e-01 1.L94 C = 178.341(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9503e-01 1.L94 CA = 57.700(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2880e-01 1.L94 CB = 40.077(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3493e-01 1.L94 H = 8.032(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6066e-01 1.L94 N = 116.726(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8804e-01 1.N95 C = 178.503(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.0896e-02 1.N95 CA = 56.797(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3194e-02 1.N95 CB = 39.227(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.5067e-01 1.N95 H = 8.528(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.6539e-01 1.N95 N = 117.967(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.1114e-01 1.Q96 C = 178.786(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0418e-01 1.Q96 CA = 59.169(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.2456e-01 1.Q96 CB = 27.079(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.4609e-01 1.Q96 H = 8.573(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.4964e-01 1.Q96 N = 120.257(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1880e-01 1.R97 C = 179.259(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.6048e-01 1.R97 CA = 59.814(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.8759e-01 1.R97 CB = 28.470(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.2300e-01 1.R97 H = 7.551(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.5868e-01 1.R97 N = 119.428(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.0928e-01 1.M98 C = 181.293(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.4429e-02 1.M98 CA = 58.898(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.1122e-01 1.M98 CB = 32.168(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.1365e-01 1.M98 H = 8.733(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.3050e-01 1.M98 N = 121.081(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.8133e-01 1.T99 C = 175.814(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.6915e-01 1.T99 CA = 65.700(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.7907e-01 1.T99 CB = 68.474(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.4097e-01 1.T99 H = 8.505(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.6907e-01 1.T99 N = 117.275(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.9615e-01 1.Q100 C = 176.252(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.7627e-01 1.Q100 CA = 55.828(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.2879e-01 1.Q100 CB = 27.877(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.7065e-01 1.Q100 H = 7.410(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6979e-01 1.Q100 HA = 18.410(A), Expected = 4.27, Std = 0.4400, ChiSquare = 0.0000e+00 1.Q100 HB2 = 16.302(A), Expected = 2.05, Std = 0.2500, ChiSquare = 0.0000e+00 1.Q100 N = 119.431(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.9854e-01 1.Q100 SRO Rule Break>> H > HA : 1 1.Q100 SRO Rule Break>> H > HB2 : 1 1.G101 C = 174.731(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4697e-01 1.G101 CA = 44.884(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.2802e-01 1.G101 H = 7.626(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.7877e-01 1.G101 N = 106.413(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0001e-01 1.Q102 C = 175.062(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.2217e-01 1.Q102 CA = 56.093(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2362e-01 1.Q102 CB = 27.712(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.1674e-01 1.Q102 H = 7.926(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.1827e-01 1.Q102 N = 122.099(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.3947e-01 1.S103 C = 171.740(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4048e-02 1.S103 CA = 57.471(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4625e-01 1.S103 CB = 65.147(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.6275e-01 1.S103 H = 8.195(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8545e-01 1.S103 N = 116.598(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2802e-01 1.D104 C = 173.900(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.5313e-01 1.D104 CA = 52.757(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4099e-01 1.D104 CB = 42.486(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2151e-01 1.D104 H = 7.622(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3554e-01 1.D104 HD2 = 7.620(A), Expected = 5.25, Std = 0.5800, ChiSquare = 4.3848e-05 1.D104 N = 125.397(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.1877e-01 1.F105 C = 175.060(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.5644e-01 1.F105 CA = 56.660(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.8059e-01 1.F105 CB = 40.918(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.5703e-01 1.F105 H = 8.480(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.6763e-01 1.F105 N = 122.295(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.5893e-01 1.V106 C = 174.363(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.0824e-01 1.V106 CA = 60.067(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.9688e-01 1.V106 CB = 33.577(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.3608e-01 1.V106 H = 9.316(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2568e-01 1.V106 N = 126.464(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.4092e-01 1.F107 C = 175.100(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.7225e-01 1.F107 CA = 55.832(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.8173e-01 1.F107 CB = 41.826(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.7969e-01 1.F107 H = 9.343(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7217e-01 1.F107 N = 126.231(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6666e-01 1.V108 C = 174.216(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.5994e-01 1.V108 CA = 60.787(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.5154e-01 1.V108 CB = 33.443(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.9039e-01 1.V108 H = 8.854(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9991e-01 1.V108 N = 122.552(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5579e-01 1.I109 C = 175.988(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4270e-01 1.I109 CA = 59.993(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.4627e-01 1.I109 CB = 38.485(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4278e-01 1.I109 H = 8.713(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2428e-01 1.I109 N = 126.583(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.3132e-01 1.G110 C = 173.911(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8260e-01 1.G110 CA = 44.211(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9533e-01 1.G110 H = 9.097(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.3800e-01 1.G110 N = 111.370(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6046e-01 1.G111 C = 176.159(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.2339e-01 1.G111 CA = 43.703(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1903e-01 1.G111 H = 7.637(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8635e-01 1.G111 N = 104.903(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1803e-01 1.S112 C = 175.427(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.3894e-01 1.S112 CA = 61.125(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.4530e-01 1.S112 CB = 62.590(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.1360e-01 1.S112 H = 8.999(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2298e-01 1.S112 N = 117.106(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1447e-01 1.N113 C = 174.327(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.9832e-01 1.N113 CA = 53.373(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.2922e-01 1.N113 CB = 39.315(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1151e-01 1.N113 H = 8.722(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.4428e-01 1.N113 HA = 18.628(A), Expected = 4.67, Std = 0.3600, ChiSquare = 0.0000e+00 1.N113 HB2 = 16.333(A), Expected = 2.81, Std = 0.3100, ChiSquare = 0.0000e+00 1.N113 N = 117.708(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.6172e-01 1.N113 SRO Rule Break>> H > HA : 1 1.N113 SRO Rule Break>> H > HB2 : 1 1.G114 C = 173.932(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7369e-01 1.G114 CA = 43.881(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.7296e-01 1.G114 H = 7.454(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7776e-01 1.G114 N = 106.184(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6771e-01 1.L115 C = 175.760(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3446e-01 1.L115 CA = 53.010(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2044e-01 1.L115 CB = 44.386(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.6948e-01 1.L115 H = 8.428(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6066e-01 1.L115 N = 120.396(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0737e-01 1.H116 C = 175.881(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.4874e-01 1.H116 CA = 57.681(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.1525e-01 1.H116 CB = 32.184(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.4766e-01 1.H116 H = 9.012(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.5625e-01 1.H116 N = 121.101(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.2428e-01 1.K117 C = 176.971(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.6855e-01 1.K117 CA = 59.072(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.3477e-01 1.K117 CB = 30.922(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.9398e-01 1.K117 H = 8.038(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0001e-01 1.K117 N = 127.598(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2410e-02 1.D118 C = 179.620(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.5768e-02 1.D118 CA = 57.673(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4171e-01 1.D118 CB = 38.641(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6694e-01 1.D118 H = 9.976(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.0735e-03 1.D118 N = 124.030(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.8122e-01 1.V119 C = 177.661(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.8273e-01 1.V119 CA = 64.956(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8856e-01 1.V119 CB = 30.368(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.8698e-01 1.V119 H = 7.643(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.3421e-01 1.V119 N = 119.451(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0987e-01 1.L120 C = 180.104(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1578e-01 1.L120 CA = 57.680(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3348e-01 1.L120 CB = 39.020(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0118e-02 1.L120 H = 7.465(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3923e-01 1.L120 N = 118.502(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8922e-01 1.Q121 C = 176.468(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.3542e-01 1.Q121 CA = 57.953(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.1811e-01 1.Q121 CB = 27.733(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.2339e-01 1.Q121 H = 8.164(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2438e-01 1.Q121 N = 116.590(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.5932e-01 1.R122 C = 175.349(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.0121e-01 1.R122 CA = 53.547(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.6294e-01 1.R122 CB = 28.605(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.5229e-01 1.R122 H = 6.900(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.8040e-02 1.R122 N = 119.109(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4587e-01 1.S123 C = 174.955(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4558e-01 1.S123 CA = 58.923(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2188e-01 1.S123 CB = 62.620(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.2528e-01 1.S123 H = 6.982(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.7807e-02 1.S123 N = 112.112(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3638e-01 1.N124 C = 174.288(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.8328e-01 1.N124 CA = 54.867(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.8028e-01 1.N124 CB = 40.405(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.1020e-01 1.N124 H = 9.540(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.6811e-02 1.N124 N = 123.914(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.1619e-01 1.Y125 C = 171.536(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.2172e-02 1.Y125 CA = 59.695(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.3295e-01 1.Y125 CB = 39.925(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.7941e-01 1.Y125 H = 8.237(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.0948e-01 1.Y125 N = 123.296(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.0864e-01 1.A126 C = 175.163(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.2633e-01 1.A126 CA = 50.102(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2495e-01 1.A126 CB = 20.265(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.9284e-01 1.A126 H = 7.416(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9133e-01 1.A126 N = 131.207(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.4235e-02 1.L127 C = 173.708(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.7403e-02 1.L127 CA = 53.405(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9838e-01 1.L127 CB = 46.335(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.2277e-02 1.L127 H = 9.123(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6949e-01 1.L127 N = 127.953(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1822e-01 1.S128 C = 175.012(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.1972e-01 1.S128 CA = 55.184(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7597e-02 1.S128 CB = 64.558(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0854e-01 1.S128 H = 8.265(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7972e-01 1.S128 N = 119.207(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.0567e-01 1.F129 C = 176.308(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.5543e-01 1.F129 CA = 57.374(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.8354e-01 1.F129 CB = 40.567(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.8249e-01 1.F129 H = 8.682(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5471e-01 1.F129 HA = 18.919(A), Expected = 4.63, Std = 0.5700, ChiSquare = 0.0000e+00 1.F129 HB2 = 17.145(A), Expected = 3.00, Std = 0.3700, ChiSquare = 0.0000e+00 1.F129 N = 123.397(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.8080e-01 1.F129 SRO Rule Break>> H > HA : 0.999254287844892 1.F129 SRO Rule Break>> H > HB2 : 1 1.S130 C = 173.356(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.6241e-01 1.S130 CA = 57.389(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.2023e-01 1.S130 CB = 63.054(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.1422e-01 1.S130 H = 7.750(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6902e-01 1.S130 N = 111.408(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.6633e-01 1.K131 C = 178.763(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.8846e-01 1.K131 CA = 56.540(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5216e-01 1.K131 CB = 31.178(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.6514e-01 1.K131 H = 8.084(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5977e-01 1.K131 N = 120.899(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6805e-01 1.M132 C = 173.635(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.2334e-01 1.M132 CA = 56.243(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.5244e-01 1.M132 CB = 32.545(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.4253e-01 1.M132 H = 8.756(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.0843e-01 1.M132 N = 120.621(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.8176e-01 1.T133 C = 172.790(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.2007e-01 1.T133 CA = 62.008(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3476e-01 1.T133 CB = 69.405(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.4196e-01 1.T133 H = 8.374(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2889e-01 1.T133 N = 117.965(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9210e-01 1.F134 C = 174.023(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.8267e-01 1.F134 CA = 50.681(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.9895e-03 1.F134 CB = 37.253(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.9034e-01 1.F134 H = 8.086(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.0353e-01 1.F134 N = 124.702(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.0905e-01 1.P135 C = 177.740(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.1206e-01 1.P135 CA = 58.775(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7291e-03 1.P135 CB = 30.623(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.9842e-01 1.P135 H = 7.678(U) 1.P135 HA = 7.676(A), Expected = 4.40, Std = 0.3300, ChiSquare = 3.1680e-23 1.H136 C = 178.207(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.3335e-01 1.H136 CA = 58.802(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.2321e-01 1.H136 CB = 28.573(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.2064e-01 1.H136 H = 5.780(S), Expected = 8.24, Std = 0.6800, ChiSquare = 2.9729e-04 1.H136 N = 119.175(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.9756e-01 1.Q137 C = 176.602(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.8097e-01 1.Q137 CA = 59.633(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5234e-01 1.Q137 CB = 26.293(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.1144e-01 1.Q137 H = 9.040(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6458e-01 1.Q137 N = 122.276(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.0747e-01 1.M138 C = 177.966(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.9280e-01 1.M138 CA = 56.654(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.0727e-01 1.M138 CB = 32.754(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.1609e-01 1.M138 H = 6.076(S), Expected = 8.26, Std = 0.6000, ChiSquare = 2.7264e-04 1.M138 N = 114.318(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.0592e-01 1.M139 C = 177.018(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.8845e-01 1.M139 CA = 57.085(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.6195e-01 1.M139 CB = 31.407(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.7976e-01 1.M139 H = 7.976(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.3598e-01 1.M139 N = 117.615(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.8814e-01 1.R140 C = 176.501(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6424e-01 1.R140 CA = 59.192(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9442e-01 1.R140 CB = 30.118(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.5046e-01 1.R140 H = 7.025(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.6393e-02 1.R140 N = 116.509(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.4360e-01 1.V141 C = 176.440(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.6605e-01 1.V141 CA = 65.171(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.4855e-01 1.V141 CB = 30.891(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0424e-01 1.V141 H = 6.775(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3747e-02 1.V141 N = 116.862(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4604e-01 1.V142 C = 177.827(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.4541e-01 1.V142 CA = 65.410(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.0726e-01 1.V142 CB = 30.332(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.8035e-01 1.V142 H = 8.044(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.1350e-01 1.V142 N = 118.605(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7659e-01 1.L143 C = 177.284(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.8196e-01 1.L143 CA = 57.692(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3067e-01 1.L143 CB = 39.999(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.1898e-01 1.L143 H = 7.737(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4817e-01 1.L143 N = 116.799(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9439e-01 1.I144 C = 175.967(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.5141e-01 1.I144 CA = 65.376(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5995e-01 1.I144 CB = 36.947(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.0475e-01 1.I144 H = 7.497(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4954e-01 1.I144 N = 117.213(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.2106e-01 1.E145 C = 178.221(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.8842e-01 1.E145 CA = 60.573(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.1960e-01 1.E145 CB = 27.269(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.1102e-01 1.E145 H = 7.638(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4084e-01 1.E145 HB2 = 1.244(S), Expected = 2.02, Std = 0.2100, ChiSquare = 2.1968e-04 1.E145 N = 123.496(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.1675e-01 1.Q146 C = 178.803(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0109e-01 1.Q146 CA = 57.656(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.1182e-01 1.Q146 CB = 27.018(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.3271e-01 1.Q146 H = 8.069(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9800e-01 1.Q146 N = 117.518(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.0997e-01 1.V147 C = 177.025(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.5962e-01 1.V147 CA = 66.993(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1538e-01 1.V147 CB = 29.988(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2556e-01 1.V147 H = 8.305(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8214e-01 1.V147 N = 121.197(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8998e-01 1.Y148 C = 175.753(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.5920e-01 1.Y148 CA = 60.966(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.5853e-01 1.Y148 CB = 36.532(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.9679e-01 1.Y148 H = 7.847(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.1702e-01 1.Y148 N = 120.431(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.8309e-01 1.R149 C = 177.892(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.6536e-01 1.R149 CA = 59.188(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9521e-01 1.R149 CB = 29.921(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.7034e-01 1.R149 H = 8.850(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1731e-01 1.R149 N = 120.705(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.7940e-01 1.A150 C = 179.800(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.3348e-01 1.A150 CA = 54.736(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.2021e-01 1.A150 CB = 15.827(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.1974e-02 1.A150 H = 8.485(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3479e-01 1.A150 N = 120.899(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1023e-01 1.F151 C = 178.082(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.8100e-01 1.F151 CA = 62.890(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1263e-02 1.F151 CB = 37.248(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.8953e-01 1.F151 H = 7.972(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.8996e-01 1.F151 N = 118.084(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.7137e-01 1.K152 C = 179.872(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.0609e-01 1.K152 CA = 58.930(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.6812e-01 1.K152 CB = 29.787(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1588e-02 1.K152 H = 7.672(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8795e-01 1.K152 N = 119.212(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2588e-01 1.I153 C = 179.770(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.1185e-02 1.I153 CA = 64.743(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.4239e-01 1.I153 CB = 37.299(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.0995e-01 1.I153 H = 8.163(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6339e-01 1.I153 N = 120.317(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.8943e-01 1.M154 C = 177.821(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.3236e-01 1.M154 CA = 58.711(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.4347e-01 1.M154 CB = 33.276(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.9840e-01 1.M154 H = 8.410(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.0259e-01 1.M154 N = 119.316(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.2836e-01 1.R155 C = 177.115(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.2837e-01 1.R155 CA = 55.515(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.8693e-01 1.R155 CB = 29.424(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.8564e-01 1.R155 H = 7.836(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0778e-01 1.R155 HA = 18.431(A), Expected = 4.30, Std = 0.4600, ChiSquare = 0.0000e+00 1.R155 HB2 = 16.041(A), Expected = 1.79, Std = 0.2700, ChiSquare = 0.0000e+00 1.R155 N = 116.590(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.5261e-01 1.R155 SRO Rule Break>> H > HA : 0.999440246291632 1.R155 SRO Rule Break>> H > HB2 : 1 1.G156 C = 174.798(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2158e-01 1.G156 CA = 45.646(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2517e-01 1.G156 H = 7.790(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0610e-01 1.G156 N = 108.938(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4998e-01 1.E157 C = 176.479(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4108e-01 1.E157 CA = 56.151(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.7594e-01 1.E157 CB = 29.934(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6476e-01 1.E157 H = 8.201(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2693e-01 1.E157 N = 120.318(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1943e-01 1.A158 C = 177.595(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4573e-01 1.A158 CA = 52.425(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1802e-01 1.A158 CB = 18.075(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.0940e-01 1.A158 H = 8.150(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3359e-01 1.A158 N = 123.693(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9594e-01 1.Y159 C = 175.473(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.7074e-01 1.Y159 CA = 58.873(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.6722e-01 1.Y159 CB = 38.103(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.7314e-01 1.Y159 H = 7.960(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.2191e-01 1.Y159 N = 119.493(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.0683e-01 1.H160 C = 174.446(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.8318e-01 1.H160 CA = 55.456(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.4508e-01 1.H160 CB = 29.414(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.8987e-01 1.H160 H = 8.259(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.7771e-01 1.H160 N = 120.176(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.0330e-01 1.K161 C = 176.227(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.3640e-01 1.K161 CA = 56.011(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.6951e-01 1.K161 CB = 32.132(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.1163e-01 1.K161 H = 8.042(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0517e-01 1.K161 N = 124.004(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3330e-01 1.E162 C = 176.974(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5747e-01 1.E162 CA = 56.322(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.3300e-01 1.E162 CB = 29.301(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8019e-01 1.E162 H = 8.440(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5210e-01 1.E162 N = 122.805(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3954e-01 1.G163 C = 174.736(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4506e-01 1.G163 CA = 45.103(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5376e-01 1.G163 H = 8.368(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5338e-01 1.G163 N = 110.659(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9829e-01 1.G164 C = 174.327(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.0794e-01 1.G164 CA = 44.930(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5395e-01 1.G164 H = 8.221(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6683e-01 1.G164 N = 109.101(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8311e-01 1.S165 C = 174.557(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.7078e-01 1.S165 CA = 58.037(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4144e-01 1.S165 CB = 63.045(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0996e-01 1.S165 H = 8.152(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2825e-01 1.S165 N = 115.687(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6622e-01