G1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.4 L 0.3 G 0.09 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.4(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.97(D) HA3 :: 3.97(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.0(D) CA :: 58.2(D) CB :: 63.9(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.45(D) HB2 :: 3.82(D) HB3 :: 3.77(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) E3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.48 K 0.18 Q 0.14 M 0.13 I 0.05 HN Overlap>> R13 L20 C Shift Assignments>> C :: 175.7(D) CA :: 56.6(D) CB :: 29.9(D) CG :: 35.8(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.44(D) HA :: 4.21(D) HB2 :: 1.85(D) HB3 :: 1.76(D) HG2 :: 2.09(D) HG3 :: 2.03(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 120.68(3.68) W4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.16 R 0.15 H 0.13 W 0.12 E 0.1 Q 0.07 V 0.02 C Shift Assignments>> C :: 175.8(D) CA :: 56.1(D) CB :: 31.8(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.79(D) HA :: 4.91(D) HB2 :: 3.29(D) HB3 :: 3.19(D) HD1 :: 7.29(D) HE1 :: 10.13(D) HE3 :: 7.72(D) HZ2 :: 7.56(D) HZ3 :: 7.22(D) HH2 :: 7.30(D) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.3(D) NE1 :: 129.2(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) R5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.63 G 0.21 K 0.14 C Shift Assignments>> C :: 176.1(D) CA :: 56.3(D) CB :: 31.7(D) CG :: 27.5(D) CD :: 43.9(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.17(D) HA :: 4.38(D) HB2 :: 1.78(D) HB3 :: 1.78(D) HG2 :: 1.67(D) HG3 :: 1.67(D) HD2 :: 3.30(D) HD3 :: 3.30(D) HE :: 7.24(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.1(D) NE :: 122.7(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.68 G 0.18 K 0.08 L 0.04 C Shift Assignments>> C :: 175.7(D) CA :: 56.6(D) CB :: 29.6(D) CG :: 27.8(D) CD :: 43.7(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.57(D) HA :: 4.50(D) HB2 :: 1.79(D) HB3 :: 1.67(D) HG2 :: 1.35(D) HG3 :: 1.35(D) HD2 :: 3.16(D) HD3 :: 3.08(D) HE :: 7.37(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.8(D) NE :: 122.6(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> I97 C Shift Assignments>> C :: 172.5(D) CA :: 60.0(D) CB :: 40.7(D) CG1 :: 27.7(D) CG2 :: 18.8(D) CD1 :: 14.8(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.40(D) HA :: 4.51(D) HB :: 1.81(D) HG2 :: 0.80(D) HG12 :: 1.69(D) HG13 :: 1.69(D) HD1 :: 0.80(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.6(4.72) A8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 L 0.16 M 0.15 C Shift Assignments>> C :: 174.4(D) CA :: 51.5(D) CB :: 21.6(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.47(D) HA :: 4.71(D) HB :: 1.29(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.1(D) Ave N Shift Values>> N :: 123.23(3.7) Y9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.27 K 0.13 F 0.08 D 0.07 Y 0.05 G 0.03 C Shift Assignments>> C :: 175.2(D) CA :: 56.6(D) CB :: 43.1(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.65(D) HA :: 5.45(D) HB2 :: 2.83(D) HB3 :: 2.83(D) HD1 :: 6.75(D) HD2 :: 6.75(D) HE1 :: 6.82(D) HE2 :: 6.82(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.8(D) Ave N Shift Values>> N :: 120.79(4.69) V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.8(D) CA :: 62.3(D) CB :: 34.8(D) CG1 :: 21.3(D) CG2 :: 23.2(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.66(D) HA :: 4.60(D) HB :: 2.15(D) HG1 :: 1.10(D) HG2 :: 0.98(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 121.02(4.96) Y11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.23 Y 0.21 F 0.21 N 0.12 L 0.12 K 0.03 I 0.03 E 0.01 C Shift Assignments>> C :: 174.5(D) CA :: 55.8(D) CB :: 39.8(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.46(D) HA :: 5.35(D) HB2 :: 2.62(D) HB3 :: 2.98(D) HD1 :: 6.13(D) HD2 :: 6.13(D) HE1 :: 6.31(D) HE2 :: 6.31(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 128.2(D) Ave N Shift Values>> N :: 120.79(4.69) D12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 G 0.29 R 0.21 D 0.07 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 175.0(D) CA :: 54.2(D) CB :: 44.2(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.76(D) HA :: 4.62(D) HB2 :: 2.79(D) HB3 :: 2.56(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.7(D) Ave N Shift Values>> N :: 120.73(4.2) R13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.44 R 0.21 G 0.15 K 0.14 I 0.03 HN Overlap>> E3 L20 C Shift Assignments>> C :: 176.6(D) CA :: 57.7(D) CB :: 27.5(D) CD :: 43.6(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.49(D) HA :: 3.69(D) HB2 :: 1.93(D) HB3 :: 1.64(D) HG2 :: 1.67(D) HG3 :: 1.67(D) HD2 :: 3.27(D) HD3 :: 3.27(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.57 Q 0.42 C Shift Assignments>> C :: 173.8(D) CA :: 57.7(D) CB :: 27.2(D) CG :: 35.0(D) CD :: 181.1(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.88(D) HA :: 3.68(D) HB2 :: 2.29(D) HB3 :: 2.29(D) HG2 :: 2.37(D) HG3 :: 2.28(D) HE21 :: 7.53(D) HE22 :: 6.86(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 110.7(D) NE2 :: 111.7(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> H106 C Shift Assignments>> C :: 169.9(D) CA :: 61.9(D) CB :: 71.1(D) CG2 :: 21.5(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.30(D) HA :: 4.30(D) HB :: 3.68(D) HG2 :: 0.44(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.9(D) Ave N Shift Values>> N :: 115.7(5.05) F16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.27 D 0.15 L 0.11 I 0.05 N 0.05 K 0.05 E 0.01 C Shift Assignments>> C :: 175.2(D) CA :: 56.8(D) CB :: 39.9(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.89(D) HA :: 5.07(D) HB2 :: 3.17(D) HB3 :: 2.49(D) HD1 :: 7.07(D) HD2 :: 7.07(D) HE1 :: 7.20(D) HE2 :: 7.20(D) HZ :: 7.29(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.0(D) Ave N Shift Values>> N :: 120.69(4.18) F17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 D 0.23 K 0.2 F 0.1 Y 0.08 R 0.07 N 0.05 C Shift Assignments>> C :: 173.6(D) CA :: 55.2(D) CB :: 41.5(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.48(D) HA :: 5.36(D) HB2 :: 3.01(D) HB3 :: 2.86(D) HD1 :: 7.36(D) HD2 :: 7.36(D) HE1 :: 7.58(D) HE2 :: 7.58(D) HZ :: 7.43(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 120.69(4.18) P18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.5(D) CA :: 63.6(D) CB :: 32.6(D) CG :: 28.0(D) CD :: 51.2(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.21(D) HB2 :: 2.06(D) HB3 :: 1.84(D) HG2 :: 1.70(D) HG3 :: 1.36(D) HD2 :: 4.38(D) HD3 :: 4.21(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.27 A 0.02 R 0.01 C Shift Assignments>> C :: 175.6(D) CA :: 53.1(D) CB :: 45.3(D) CG :: 26.7(D) CD1 :: 23.7(D) CD2 :: 25.9(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.43(D) HA :: 4.90(D) HB2 :: 1.42(D) HB3 :: 0.96(D) HG :: 1.32(D) HD1 :: 0.56(D) HD2 :: 0.51(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 121.98(4.07) L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 G 0.24 A 0.12 R 0.08 HN Overlap>> E3 R13 C Shift Assignments>> C :: 179.7(D) CA :: 53.4(D) CB :: 43.9(D) CG :: 27.2(D) CD1 :: 25.6(D) CD2 :: 22.4(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.46(D) HA :: 5.11(D) HB2 :: 2.26(D) HB3 :: 1.37(D) HG :: 1.71(D) HD1 :: 0.98(D) HD2 :: 0.81(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 121.98(4.07) E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.6 I 0.21 M 0.1 K 0.05 Q 0.01 C Shift Assignments>> C :: 174.3(D) CA :: 58.4(D) CB :: 30.5(D) CG :: 36.9(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.44(D) HA :: 3.84(D) HB2 :: 2.38(D) HB3 :: 2.08(D) HG2 :: 2.52(D) HG3 :: 2.37(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.5(D) Ave N Shift Values>> N :: 120.68(3.68) N22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> N 0.95 D 0.04 C Shift Assignments>> C :: 176.2(D) CA :: 52.1(D) CB :: 36.7(D) CG :: 175.6(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.03(D) HA :: 4.40(D) HB2 :: 2.84(D) HB3 :: 1.66(S) HD21 :: 6.40(D) HD22 :: 5.64(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.9(D) ND2 :: 105.9(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.12 R 0.06 F 0.01 C Shift Assignments>> C :: 172.8(D) CA :: 45.1(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.24(D) HA2 :: 3.50(D) HA3 :: 4.11(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5(D) Ave N Shift Values>> N :: 109.91(4.29) R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.67 K 0.21 G 0.1 C Shift Assignments>> C :: 174.2(D) CA :: 56.0(D) CB :: 31.0(D) CG :: 27.2(D) CD :: 43.3(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.04(D) HA :: 4.16(D) HB2 :: 1.72(D) HB3 :: 1.68(D) HG2 :: 1.52(D) HG3 :: 1.40(D) HD2 :: 3.11(D) HD3 :: 3.11(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.0(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 G 0.32 R 0.13 C Shift Assignments>> C :: 177.7(D) CA :: 54.0(D) CB :: 44.2(D) CG :: 27.7(D) CD1 :: 25.6(D) CD2 :: 25.6(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.16(D) HA :: 4.99(D) HB2 :: 1.44(D) HB3 :: 1.44(D) HG :: 1.39(D) HD1 :: 0.81(D) HD2 :: 0.69(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.1(D) Ave N Shift Values>> N :: 121.98(4.07) L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.85 A 0.14 C Shift Assignments>> C :: 177.1(D) CA :: 53.0(D) CB :: 39.9(D) CG :: 26.1(D) CD1 :: 25.9(D) CD2 :: 23.0(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.62(D) HA :: 4.79(D) HB2 :: 1.86(D) HB3 :: 1.55(D) HG :: 1.57(D) HD1 :: 0.98(D) HD2 :: 0.88(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.3(D) Ave N Shift Values>> N :: 121.98(4.07) K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.67 R 0.3 M 0.02 HN Overlap>> F100 C Shift Assignments>> C :: 178.1(D) CA :: 58.9(D) CB :: 32.0(D) CG :: 25.5(D) CD :: 28.8(D) CE :: 41.6(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.67(D) HA :: 4.06(D) HB2 :: 1.79(D) HB3 :: 1.79(D) HG2 :: 1.39(D) HG3 :: 0.97(D) HD2 :: 1.45(D) HD3 :: 1.45(D) HE2 :: 2.74(D) HE3 :: 2.74(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.72 E 0.18 N 0.08 C Shift Assignments>> C :: 176.2(D) CA :: 56.7(D) CB :: 28.3(D) CG :: 34.5(D) CD :: 177.3(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.06(D) HA :: 4.62(D) HB2 :: 2.41(D) HB3 :: 2.25(D) HG2 :: 2.52(D) HG3 :: 2.61(D) HE21 :: 7.71(D) HE22 :: 6.93(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.3(D) NE2 :: 112.4(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.62 M 0.13 K 0.13 I 0.05 Q 0.04 C Shift Assignments>> C :: 175.5(D) CA :: 55.1(D) CB :: 29.9(D) CG :: 36.6(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.53(D) HA :: 4.84(D) HB2 :: 2.67(D) HB3 :: 1.79(D) HG2 :: 2.30(D) HG3 :: 2.30(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 120.68(3.68) G30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.7(D) CA :: 46.5(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.08(D) HA2 :: 4.53(D) HA3 :: 3.33(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.2(D) Ave N Shift Values>> N :: 109.91(4.29) T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 173.2(D) CA :: 59.3(D) CB :: 71.0(D) CG2 :: 20.2(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.60(D) HA :: 5.07(D) HB :: 4.40(D) HG2 :: 1.41(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.3(D) Ave N Shift Values>> N :: 115.7(5.05) K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.6 R 0.34 M 0.03 G 0.01 C Shift Assignments>> C :: 176.6(D) CA :: 56.6(D) CB :: 32.9(D) CG :: 25.3(D) CD :: 28.8(D) CE :: 42.3(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.67(D) HA :: 4.85(D) HB2 :: 2.23(D) HB3 :: 1.94(D) HG2 :: 1.67(D) HG3 :: 1.67(D) HD2 :: 1.81(D) HD3 :: 1.81(D) HE2 :: 3.10(D) HE3 :: 3.10(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.1(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.9(D) CA :: 61.4(D) CB :: 70.1(D) CG2 :: 21.8(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.87(D) HA :: 4.37(D) HB :: 3.94(D) HG2 :: 1.19(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.2(D) Ave N Shift Values>> N :: 115.7(5.05) A34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 175.2(D) CA :: 49.9(D) CB :: 17.5(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.29(D) HA :: 2.80(S) HB :: 0.91(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.9(D) Ave N Shift Values>> N :: 123.23(3.7) P35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.6(D) CA :: 61.7(D) CB :: 33.7(D) CG :: 26.1(D) CD :: 49.9(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.36(D) HB2 :: 1.66(D) HB3 :: 1.59(D) HG2 :: 1.03(D) HG3 :: 0.58(S) HD2 :: 2.52(D) HD3 :: 2.21(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.0(D) CA :: 57.9(D) CB :: 64.9(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.52(D) HA :: 4.78(D) HB2 :: 4.01(D) HB3 :: 3.81(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.5(D) Ave N Shift Values>> N :: 116.3(3.95) D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.18 L 0.17 F 0.09 Y 0.08 K 0.08 R 0.01 C Shift Assignments>> C :: 174.3(D) CA :: 53.9(D) CB :: 40.7(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.46(D) HA :: 4.68(D) HB2 :: 2.70(D) HB3 :: 3.03(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.8(D) Ave N Shift Values>> N :: 120.73(4.2) A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 173.6(D) CA :: 51.2(D) CB :: 19.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.54(D) HA :: 4.67(D) HB :: 1.31(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 123.23(3.7) P39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.2(D) CA :: 62.5(D) CB :: 32.8(D) CG :: 27.8(D) CD :: 49.8(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.58(D) HB2 :: 1.62(D) HB3 :: 2.05(D) HG2 :: 2.28(D) HG3 :: 2.14(D) HD2 :: 4.06(D) HD3 :: 3.89(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.8(D) CA :: 61.3(D) CB :: 34.5(D) CG1 :: 22.9(D) CG2 :: 22.4(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.83(D) HA :: 4.87(D) HB :: 2.26(D) HG1 :: 1.17(D) HG2 :: 1.20(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.1(D) Ave N Shift Values>> N :: 121.02(4.96) L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 R 0.04 A 0.01 C Shift Assignments>> C :: 176.4(D) CA :: 55.0(D) CB :: 40.4(D) CG :: 28.3(D) CD1 :: 25.1(D) CD2 :: 24.3(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.61(D) HA :: 5.20(D) HB2 :: 1.71(D) HB3 :: 1.08(D) HG :: 1.39(D) HD1 :: 0.22(D) HD2 :: 0.05(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.3(D) Ave N Shift Values>> N :: 121.98(4.07) V42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.0(D) CA :: 63.1(D) CB :: 34.5(D) CG1 :: 21.8(D) CG2 :: 21.0 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.86(D) HA :: 4.58(D) HB :: 1.29(D) HG1 :: 0.88(D) HG2 :: 0.88(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.2(D) Ave N Shift Values>> N :: 121.02(4.96) G43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 175.4(D) CA :: 45.8(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.59(D) HA2 :: 4.57(D) HA3 :: 3.99(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.7(D) Ave N Shift Values>> N :: 109.91(4.29) W44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 R 0.14 Q 0.14 W 0.14 E 0.12 H 0.11 I 0.09 L 0.04 M 0.01 HN Overlap>> V93 C Shift Assignments>> C :: 174.2(D) CA :: 58.2(D) CB :: 28.3(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.04(D) HA :: 4.21(D) HB2 :: 3.20(D) HB3 :: 2.99(D) HD1 :: 7.04(D) HE1 :: 10.58(D) HE3 :: 7.29(D) HZ2 :: 7.17(D) HZ3 :: 6.72(D) HH2 :: 6.93(D) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.0(D) NE1 :: 131.9(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.71 R 0.23 M 0.02 G 0.01 C Shift Assignments>> C :: 175.6(D) CA :: 55.6(D) CB :: 34.0(D) CG :: 24.8(D) CD :: 28.7(D) CE :: 42.1(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.39(D) HA :: 4.55(D) HB2 :: 2.02(D) HB3 :: 1.85(D) HG2 :: 1.50(D) HG3 :: 1.50(D) HD2 :: 1.74(D) HD3 :: 1.74(D) HE2 :: 2.98(D) HE3 :: 2.98(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.6(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.2 R 0.18 K 0.13 F 0.05 Y 0.04 N 0.03 G 0.02 C Shift Assignments>> C :: 176.5(D) CA :: 54.1(D) CB :: 42.6(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.77(D) HA :: 4.77(D) HB2 :: 2.84(D) HB3 :: 2.66(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 120.73(4.2) G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.9(D) CA :: 46.6(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.73(D) HA2 :: 3.84(D) HA3 :: 4.18(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.5(D) Ave N Shift Values>> N :: 109.91(4.29) D48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.24 D 0.13 L 0.13 K 0.11 I 0.05 N 0.03 R 0.01 C Shift Assignments>> C :: 178.2(D) CA :: 57.1(D) CB :: 40.4(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.44(D) HA :: 4.61(D) HB2 :: 2.91(D) HB3 :: 2.79(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 120.73(4.2) A49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.37 I 0.03 C Shift Assignments>> C :: 179.8(D) CA :: 55.0(D) CB :: 17.8(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.06(D) HA :: 4.48(D) HB :: 1.59(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 123.23(3.7) I50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 178.1(D) CA :: 65.2(D) CB :: 38.3(D) CG1 :: 30.2(D) CG2 :: 17.2(D) CD1 :: 13.2(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.91(D) HA :: 3.38(D) HB :: 1.86(D) HG2 :: 0.67(D) HG12 :: 1.71(D) HG13 :: 1.60(D) HD1 :: 0.71(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.3(D) Ave N Shift Values>> N :: 121.6(4.72) A51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.28 I 0.06 C Shift Assignments>> C :: 180.7(D) CA :: 55.6(D) CB :: 17.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.90(D) HA :: 4.16(D) HB :: 1.57(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.3(D) Ave N Shift Values>> N :: 123.23(3.7) E52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.51 I 0.29 K 0.1 M 0.04 Q 0.03 C Shift Assignments>> C :: 179.6(D) CA :: 59.3(D) CB :: 29.6(D) CG :: 36.4(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.01(D) HA :: 4.17(D) HB2 :: 2.30(D) HB3 :: 2.20(D) HG2 :: 2.51(D) HG3 :: 2.37(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 120.68(3.68) M53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.2 I 0.13 C Shift Assignments>> C :: 178.3(D) CA :: 57.1(D) CB :: 34.2(D) CG :: 29.6(D) CE :: 18.1(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.27(D) HA :: 4.28(D) HB2 :: 2.01(D) HB3 :: 1.89(D) HG2 :: 2.49(D) HG3 :: 2.49(D) HE :: 1.17(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 120.1(3.88) T54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.9(D) CA :: 67.8(D) CB :: 67.9(D) CG2 :: 22.1(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.44(D) HA :: 3.50(D) HB :: 4.19(D) HG2 :: 1.03(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.6(D) Ave N Shift Values>> N :: 115.7(5.05) G55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 176.4(D) CA :: 47.1(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.44(D) HA2 :: 4.03(D) HA3 :: 3.97(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.1(D) Ave N Shift Values>> N :: 109.91(4.29) Q56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.85 E 0.14 C Shift Assignments>> C :: 178.7(D) CA :: 57.7(D) CB :: 29.4(D) CG :: 32.9(D) CD :: 179.1(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.17(D) HA :: 4.26(D) HB2 :: 2.45(D) HB3 :: 2.45(D) HG2 :: 3.21(D) HG3 :: 2.70(D) HE21 :: 7.79(D) HE22 :: 6.95(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.8(D) NE2 :: 114.1(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.81 R 0.15 G 0.02 HN Overlap>> A58 C Shift Assignments>> C :: 179.3(D) CA :: 57.7(D) CB :: 42.0(D) CG :: 26.7(D) CD1 :: 23.4(D) CD2 :: 25.9(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.21(D) HA :: 4.09(D) HB2 :: 1.93(D) HB3 :: 1.42(D) HG :: 1.75(D) HD1 :: 0.78(D) HD2 :: 0.61(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.7(D) Ave N Shift Values>> N :: 121.98(4.07) A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.4 I 0.01 HN Overlap>> L57 C Shift Assignments>> C :: 177.7(D) CA :: 54.2(D) CB :: 18.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.16(D) HA :: 4.09(D) HB :: 1.62(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.6(D) Ave N Shift Values>> N :: 123.23(3.7) E59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.45 M 0.22 Q 0.15 K 0.13 I 0.02 C Shift Assignments>> C :: 177.2(D) CA :: 56.1(D) CB :: 30.5(D) CG :: 35.6(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.29(D) HA :: 4.41(D) HB2 :: 2.30(D) HB3 :: 2.13(D) HG2 :: 2.56(D) HG3 :: 2.45(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.7(D) Ave N Shift Values>> N :: 120.68(3.68) L60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 R 0.35 G 0.08 K 0.03 A 0.01 HN Overlap>> A109 C Shift Assignments>> C :: 174.7(D) CA :: 53.1(D) CB :: 42.6(D) CG :: 26.7(D) CD1 :: 24.5(D) CD2 :: 27.8(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.39(D) HA :: 4.65(D) HB2 :: 2.10(D) HB3 :: 1.37(D) HG :: 2.18(D) HD1 :: 1.00(D) HD2 :: 1.10(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.98(4.07) P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.0(D) CA :: 62.5(D) CB :: 32.6(D) CG :: 28.0(D) CD :: 50.9(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.70(D) HB2 :: 2.67(D) HB3 :: 2.03(D) HG2 :: 2.31(D) HG3 :: 2.21(D) HD2 :: 4.17(D) HD3 :: 3.45(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.28 I 0.06 V 0.01 C Shift Assignments>> C :: 180.5(D) CA :: 55.8(D) CB :: 18.3(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.96(D) HA :: 4.13(D) HB :: 1.59(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.6(D) Ave N Shift Values>> N :: 123.23(3.7) A63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.48 M 0.47 I 0.01 C Shift Assignments>> C :: 179.8(D) CA :: 54.7(D) CB :: 18.8(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.88(D) HA :: 4.21(D) HB :: 1.50(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.0(D) Ave N Shift Values>> N :: 123.23(3.7) V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.5(D) CA :: 65.5(D) CB :: 32.1(D) CG1 :: 22.4(D) CG2 :: 22.9(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.35(D) HA :: 3.82(D) HB :: 2.17(D) HG1 :: 1.03(D) HG2 :: 1.13(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.6(D) Ave N Shift Values>> N :: 121.02(4.96) L65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.7 R 0.24 G 0.03 K 0.01 C Shift Assignments>> C :: 179.3(D) CA :: 58.5(D) CB :: 42.3(D) CG :: 27.5(D) CD1 :: 25.6(D) CD2 :: 25.1(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.52(D) HA :: 4.13(D) HB2 :: 1.79(D) HB3 :: 1.79(D) HG :: 1.77(D) HD1 :: 1.15(D) HD2 :: 1.02(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.7(D) Ave N Shift Values>> N :: 121.98(4.07) G66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.6(D) CA :: 45.9(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.04(D) HA2 :: 4.01(D) HA3 :: 3.79(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.3(D) Ave N Shift Values>> N :: 109.91(4.29) A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.16 L 0.01 C Shift Assignments>> C :: 176.6(D) CA :: 52.0(D) CB :: 19.7(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.36(D) HA :: 4.65(D) HB :: 1.61(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.6(D) Ave N Shift Values>> N :: 123.23(3.7) M68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.72 A 0.24 I 0.03 C Shift Assignments>> C :: 174.1(D) CA :: 56.3(D) CB :: 35.3(D) CG :: 32.1(D) CE :: 18.3(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.40(D) HA :: 4.60(D) HB2 :: 2.33(D) HB3 :: 1.74(D) HG2 :: 3.00(D) HG3 :: 2.43(D) HE :: 2.10(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.9(D) Ave N Shift Values>> N :: 120.1(3.88) S69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.4(D) CA :: 59.6(D) CB :: 64.1(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.11(D) HA :: 4.82(D) HB2 :: 3.95(D) HB3 :: 3.88(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.9(D) Ave N Shift Values>> N :: 116.3(3.95) E70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.64 E 0.33 C Shift Assignments>> C :: 175.5(D) CA :: 54.7(D) CB :: 36.6(S) CG :: 36.6(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.08(D) HA :: 5.95(S) HB2 :: 2.54(D) HB3 :: 2.42(D) HG2 :: 2.23(D) HG3 :: 2.23(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.3(D) Ave N Shift Values>> N :: 120.68(3.68) I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.4(D) CA :: 61.4(D) CB :: 40.7(D) CG1 :: 27.7(D) CG2 :: 19.1(D) CD1 :: 15.6(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.49(D) HA :: 5.31(D) HB :: 2.05(D) HG2 :: 1.15(D) HG12 :: 1.68(D) HG13 :: 1.32(D) HD1 :: 0.89(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 121.6(4.72) H72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.26 K 0.2 E 0.08 H 0.04 W 0.04 R 0.04 V 0.01 Y 0.01 C Shift Assignments>> C :: 179.2(D) CA :: 55.2(D) CB :: 34.0(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.39(D) HA :: 5.95(D) HB2 :: 3.37(D) HB3 :: 3.14(D) HD1 :: 10.57(D) HD2 :: 7.00(D) HE1 :: 8.17(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.0(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> E 0.39 M 0.13 Y 0.12 K 0.1 I 0.06 Q 0.05 F 0.04 V 0.02 W 0.01 C Shift Assignments>> C :: 174.5(D) CA :: 57.7(D) CB :: 35.8(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.18(D) HA :: 4.25(D) HB2 :: 2.15(D) HB3 :: 0.42(S) HD1 :: 6.42(D) HD2 :: 6.42(D) HE1 :: 6.72(D) HE2 :: 6.72(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.0(D) Ave N Shift Values>> N :: 120.79(4.69) K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.74 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 171.2(D) CA :: 53.6(D) CB :: 34.2(D) CG :: 24.8(D) CD :: 29.1(D) CE :: 42.0(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.15(D) HA :: 4.73(D) HB2 :: 1.86(D) HB3 :: 1.32(D) HG2 :: 1.41(D) HG3 :: 1.41(D) HD2 :: 1.80(D) HD3 :: 1.80(D) HE2 :: 3.08(D) HE3 :: 3.08(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.1(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.1(D) CA :: 63.9(D) CB :: 32.9(D) CG :: 27.5(D) CD :: 49.6(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.53(D) HB2 :: 2.15(D) HB3 :: 1.85(D) HG2 :: 1.81(D) HG3 :: 1.55(D) HD2 :: 3.11(D) HD3 :: 1.92(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) T76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 174.6(D) CA :: 59.3(D) CB :: 72.6(D) CG2 :: 22.1(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.17(D) HA :: 4.74(D) HB :: 4.67(D) HG2 :: 1.34(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.6(D) Ave N Shift Values>> N :: 115.7(5.05) R77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.69 K 0.16 G 0.09 L 0.03 C Shift Assignments>> C :: 177.6(D) CA :: 58.5(D) CB :: 29.9(D) CG :: 26.9(D) CD :: 43.2(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.46(D) HA :: 4.11(D) HB2 :: 1.88(D) HB3 :: 1.88(D) HG2 :: 1.73(D) HG3 :: 1.73(D) HD2 :: 3.31(D) HD3 :: 3.31(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.61 I 0.2 M 0.1 K 0.05 Q 0.01 C Shift Assignments>> C :: 175.7(D) CA :: 58.2(D) CB :: 30.5(D) CG :: 36.9(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.88(D) HA :: 4.01(D) HB2 :: 1.75(D) HB3 :: 1.56(D) HG2 :: 2.02(D) HG3 :: 2.02(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.7(D) Ave N Shift Values>> N :: 120.68(3.68) Y79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.22 D 0.22 L 0.12 N 0.1 K 0.04 I 0.03 C Shift Assignments>> C :: 176.0(D) CA :: 56.0(D) CB :: 39.9(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.46(D) HA :: 4.92(D) HB2 :: 3.02(D) HB3 :: 2.96(D) HD1 :: 7.16(D) HD2 :: 7.16(D) HE1 :: 6.88(D) HE2 :: 6.88(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 120.79(4.69) E80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.51 I 0.17 K 0.15 Q 0.08 M 0.06 C Shift Assignments>> C :: 175.3(D) CA :: 58.5(D) CB :: 29.6(D) CG :: 36.0(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.08(D) HA :: 4.40(D) HB2 :: 2.25(D) HB3 :: 2.13(D) HG2 :: 2.41(D) HG3 :: 2.41(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 120.68(3.68) D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.29 L 0.14 F 0.05 Y 0.05 K 0.04 C Shift Assignments>> C :: 175.1(D) CA :: 52.3(D) CB :: 40.7(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.70(D) HA :: 4.85(D) HB2 :: 3.12(D) HB3 :: 2.78(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.9(D) Ave N Shift Values>> N :: 120.73(4.2) R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.64 K 0.18 G 0.16 C Shift Assignments>> C :: 174.1(D) CA :: 57.4(D) CB :: 31.0(D) CG :: 28.0(D) CD :: 43.7(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.78(D) HA :: 4.57(D) HB2 :: 2.15(D) HB3 :: 1.89(D) HG2 :: 1.76(D) HG3 :: 1.49(D) HD2 :: 3.19(D) HD3 :: 3.19(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.7(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 I 0.34 A 0.28 C Shift Assignments>> C :: 174.0(D) CA :: 57.9(D) CB :: 35.8(D) CG1 :: 23.7(D) CG2 :: 19.6(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.51(D) HA :: 5.25(D) HB :: 2.14(D) HG1 :: 1.13(D) HG2 :: 0.88(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.2(D) Ave N Shift Values>> N :: 121.02(4.96) I84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.8(D) CA :: 59.6(D) CB :: 40.2(D) CG1 :: 27.5(D) CG2 :: 17.2(D) CD1 :: 11.9(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.76(D) HA :: 4.78(D) HB :: 1.71(D) HG2 :: 0.44(D) HG12 :: 1.45(D) HG13 :: 1.34(D) HD1 :: 0.85(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.5(D) Ave N Shift Values>> N :: 121.6(4.72) V85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.3(D) CA :: 60.7(D) CB :: 33.8(D) CG1 :: 22.9(D) CG2 :: 22.4(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.39(D) HA :: 4.85(D) HB :: 2.22(D) HG1 :: 1.21(D) HG2 :: 1.08(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.7(D) Ave N Shift Values>> N :: 121.02(4.96) Y86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 F 0.25 E 0.1 I 0.09 D 0.07 N 0.07 L 0.03 M 0.01 C Shift Assignments>> C :: 176.2(D) CA :: 56.9(D) CB :: 38.4(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.25(D) HA :: 4.94(D) HB2 :: 2.91(D) HB3 :: 3.18(D) HD1 :: 7.00(D) HD2 :: 7.00(D) HE1 :: 6.24(D) HE2 :: 6.24(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.4(D) Ave N Shift Values>> N :: 120.79(4.69) M87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.28 C Shift Assignments>> C :: 179.0(D) CA :: 53.6(D) CB :: 32.6(D) CG :: 31.8(D) CE :: 16.2(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.86(D) HA :: 5.12(D) HB2 :: 2.55(D) HB3 :: 2.40(D) HG2 :: 2.94(D) HG3 :: 2.42(D) HE :: 1.60(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 120.1(3.88) N88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.81 D 0.18 C Shift Assignments>> C :: 176.0(D) CA :: 56.0(D) CB :: 37.7(D) CG :: 175.4(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.03(D) HA :: 4.54(D) HB2 :: 2.99(D) HB3 :: 2.88(D) HD21 :: 7.44(D) HD22 :: 6.90(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.2(D) ND2 :: 111.1(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.24 L 0.15 F 0.09 Y 0.08 K 0.05 C Shift Assignments>> C :: 177.1(D) CA :: 53.7(D) CB :: 40.4(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.19(D) HA :: 4.67(D) HB2 :: 2.80(D) HB3 :: 3.08(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.9(D) Ave N Shift Values>> N :: 120.73(4.2) G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 174.2(D) CA :: 45.3(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.08(D) HA2 :: 4.40(D) HA3 :: 3.81(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.0(D) Ave N Shift Values>> N :: 109.91(4.29) Y91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.17 L 0.04 D 0.04 K 0.02 E 0.01 C Shift Assignments>> C :: 173.8(D) CA :: 58.6(D) CB :: 39.6(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.81(D) HA :: 4.62(D) HB2 :: 3.28(D) HB3 :: 2.96(D) HD1 :: 7.14(D) HD2 :: 7.14(D) HE1 :: 6.85(D) HE2 :: 6.85(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.7(D) Ave N Shift Values>> N :: 120.79(4.69) E92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 E 0.32 Q 0.05 K 0.01 C Shift Assignments>> C :: 175.3(D) CA :: 54.2(D) CB :: 32.6(D) CG :: 35.8(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.90(D) HA :: 5.28(D) HB2 :: 1.73(D) HB3 :: 1.73(D) HG2 :: 1.90(D) HG3 :: 1.83(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 120.68(3.68) V93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> W44 C Shift Assignments>> C :: 174.2(D) CA :: 60.8(D) CB :: 35.6(D) CG1 :: 21.0(D) CG2 :: 21.0(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.02(D) HA :: 4.32(D) HB :: 1.83(D) HG1 :: 0.78(D) HG2 :: 0.78(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 121.02(4.96) S94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.4(D) CA :: 57.2(D) CB :: 64.4(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.63(D) HA :: 5.21(D) HB2 :: 3.84(D) HB3 :: 3.84(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.8(D) Ave N Shift Values>> N :: 116.3(3.95) A95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.49 L 0.33 M 0.13 K 0.02 C Shift Assignments>> C :: 175.5(D) CA :: 50.9(D) CB :: 22.4(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.18(D) HA :: 4.86(D) HB :: 1.39(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.1(D) Ave N Shift Values>> N :: 123.23(3.7) T96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.9(D) CA :: 59.4(D) CB :: 71.4(D) CG2 :: 22.4(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.78(D) HA :: 5.24(D) HB :: 4.72(D) HG2 :: 1.13(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.0(D) Ave N Shift Values>> N :: 115.7(5.05) I97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> I7 C Shift Assignments>> C :: 178.1(D) CA :: 67.4(D) CB :: 38.3(D) CG1 :: 29.7(D) CG2 :: 17.2(D) CD1 :: 14.3(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.41(D) HA :: 3.72(D) HB :: 2.18(D) HG2 :: 1.00(D) HG12 :: 1.40(D) HG13 :: 1.40(D) HD1 :: 1.13(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.6(4.72) R98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.71 K 0.14 G 0.12 L 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 58.5(D) CB :: 30.2(D) CG :: 27.5(D) CD :: 43.4(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.10(D) HA :: 4.18(D) HB2 :: 1.98(D) HB3 :: 1.98(D) HG2 :: 1.86(D) HG3 :: 1.86(D) HD2 :: 3.35(D) HD3 :: 3.35(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.7(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.5 Q 0.48 C Shift Assignments>> C :: 175.9(D) CA :: 55.2(D) CB :: 28.8(D) CG :: 35.0(D) CD :: 180.7(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.90(D) HB2 :: 2.51(D) HB3 :: 2.00(D) HG2 :: 2.57(D) HG3 :: 2.32(D) HE21 :: 7.71(D) HE22 :: 6.92(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 112.4(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.77 F 0.13 Y 0.09 HN Overlap>> K27 C Shift Assignments>> C :: 176.7(D) CA :: 64.1(D) CB :: 39.7(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.71(D) HA :: 3.98(D) HB2 :: 3.01(D) HB3 :: 3.01(D) HD1 :: 7.04(D) HD2 :: 7.04(D) HE1 :: 7.02(D) HE2 :: 7.02(D) HZ :: 7.20(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 120.69(4.18) A101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.26 I 0.06 C Shift Assignments>> C :: 180.4(D) CA :: 55.6(D) CB :: 17.6(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.25(D) HA :: 4.03(D) HB :: 1.64(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 123.23(3.7) D102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.18 L 0.17 Y 0.14 R 0.1 D 0.08 I 0.03 HN Overlap>> N117 C Shift Assignments>> C :: 178.6(D) CA :: 57.5(D) CB :: 41.6(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.54(D) HA :: 4.36(D) HB2 :: 2.77(D) HB3 :: 2.74(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 120.73(4.2) K103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.51 R 0.42 G 0.03 M 0.01 C Shift Assignments>> C :: 179.3(D) CA :: 58.7(D) CB :: 32.3(D) CG :: 25.9(D) CD :: 29.1(D) CE :: 42.6(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.21(D) HA :: 4.20(D) HB2 :: 2.01(D) HB3 :: 1.84(D) HG2 :: 1.62(D) HG3 :: 1.52(D) HD2 :: 1.82(D) HD3 :: 1.82(D) HE2 :: 3.08(D) HE3 :: 3.08(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.3(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.76 A 0.21 V 0.01 C Shift Assignments>> C :: 178.7(D) CA :: 55.0(D) CB :: 39.4(D) CG :: 28.3(D) CD1 :: 24.0(D) CD2 :: 22.4(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.43(D) HA :: 4.20(D) HB2 :: 1.52(D) HB3 :: 1.39(D) HG :: 1.43(D) HD1 :: 0.59(D) HD2 :: 0.27(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 121.98(4.07) S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.5(D) CA :: 61.7(D) CB :: 63.1(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.05(D) HA :: 4.09(D) HB2 :: 3.97(D) HB3 :: 3.92(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.2(D) Ave N Shift Values>> N :: 116.3(3.95) H106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.17 H 0.17 W 0.12 R 0.11 E 0.11 L 0.05 M 0.03 I 0.01 HN Overlap>> T15 C Shift Assignments>> C :: 174.2(D) CA :: 55.5(D) CB :: 28.8(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.41(D) HA :: 4.78(D) HB2 :: 3.57(D) HB3 :: 3.13(D) HD2 :: 7.50(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.9(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.28 I 0.17 E 0.08 D 0.03 L 0.02 N 0.01 M 0.01 C Shift Assignments>> C :: 175.0(D) CA :: 58.2(D) CB :: 38.5(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.72(D) HA :: 4.75(D) HB2 :: 3.32(D) HB3 :: 3.13(D) HD1 :: 7.13(D) HD2 :: 7.13(D) HE1 :: 6.81(D) HE2 :: 6.81(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.3(D) Ave N Shift Values>> N :: 120.79(4.69) P108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.2(D) CA :: 65.5(D) CB :: 31.3(D) CG :: 27.7(D) CD :: 50.7(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.41(D) HB2 :: 2.29(D) HB3 :: 1.96(D) HG2 :: 1.95(D) HG3 :: 1.95(D) HD2 :: 3.91(D) HD3 :: 3.15(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 M 0.35 HN Overlap>> L60 C Shift Assignments>> C :: 178.8(D) CA :: 53.9(D) CB :: 19.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.45(D) HA :: 4.26(D) HB :: 1.42(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 123.23(3.7) I110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.7(D) CA :: 62.0(D) CB :: 38.3(D) CG1 :: 28.0(D) CG2 :: 17.8(D) CD1 :: 13.2(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.71(D) HA :: 4.09(D) HB :: 2.13(D) HG2 :: 0.95(D) HG12 :: 1.66(D) HG13 :: 1.32(D) HD1 :: 0.96(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.0(D) Ave N Shift Values>> N :: 121.6(4.72) A111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 M 0.41 I 0.01 C Shift Assignments>> C :: 178.8(D) CA :: 54.2(D) CB :: 18.6(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.19(D) HA :: 4.11(D) HB :: 1.39(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.8(D) Ave N Shift Values>> N :: 123.23(3.7) A112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.64 M 0.33 HN Overlap>> D115 V118 C Shift Assignments>> C :: 177.4(D) CA :: 53.6(D) CB :: 18.6(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.99(D) HA :: 4.31(D) HB :: 1.47(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 123.23(3.7) A113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 M 0.27 C Shift Assignments>> C :: 178.4(D) CA :: 53.1(D) CB :: 18.7(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.77(D) HA :: 4.32(D) HB :: 1.49(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 123.23(3.7) L114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.82 R 0.12 G 0.02 A 0.01 C Shift Assignments>> C :: 177.5(D) CA :: 55.8(D) CB :: 42.3(D) CG :: 26.9(D) CD1 :: 25.3(D) CD2 :: 23.4(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.93(D) HA :: 4.31(D) HB2 :: 1.82(D) HB3 :: 1.67(D) HG :: 1.81(D) HD1 :: 0.96(D) HD2 :: 0.95(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 121.98(4.07) D115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.21 K 0.14 F 0.1 N 0.09 Y 0.09 R 0.03 HN Overlap>> A112 C Shift Assignments>> C :: 176.3(D) CA :: 54.7(D) CB :: 41.1(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.10(D) HA :: 4.65(D) HB2 :: 2.82(D) HB3 :: 2.72(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 120.73(4.2) R116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.69 K 0.17 G 0.12 L 0.01 C Shift Assignments>> C :: 176.0(D) CA :: 56.2(D) CB :: 30.7(D) CG :: 27.2(D) CD :: 43.4(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.12(D) HA :: 4.39(D) HB2 :: 1.98(D) HB3 :: 1.86(D) HG2 :: 1.74(D) HG3 :: 1.74(D) HD2 :: 3.27(D) HD3 :: 3.27(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.6(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.73 D 0.26 HN Overlap>> D102 C Shift Assignments>> C :: 174.9(D) CA :: 53.6(D) CB :: 39.1(D) CG :: 175.5(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.49(D) HA :: 4.39(D) HB2 :: 2.94(D) HB3 :: 2.84(D) HD21 :: 7.73(D) HD22 :: 6.97(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.6(D) ND2 :: 113.5(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> A112 C Shift Assignments>> C :: 175.1(D) CA :: 62.6(D) CB :: 32.8(D) CG1 :: 21.2(D) CG2 :: 21.2(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.98(D) HA :: 4.20(D) HB :: 2.19(D) HG1 :: 1.03(D) HG2 :: 1.03(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.02(4.96) K119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.33 K 0.31 E 0.19 R 0.06 M 0.06 I 0.02 C Shift Assignments>> C :: 181.1(D) CA :: 57.7(D) CB :: 34.0(D) CD :: 29.1(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.87(D) HA :: 4.18(D) HB2 :: 1.89(D) HB3 :: 1.78(D) HG2 :: 1.47(D) HG3 :: 1.47(D) HD2 :: 1.83(D) HD3 :: 1.83(D) HE2 :: 2.91(D) HE3 :: 2.91(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 113 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 485 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 695 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 121 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: G1 CA = 43.4(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.7410e-01 G1 HA2 = 3.97(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.6012e-01 G1 HA3 = 3.97(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.2034e-01 S2 C = 174.0(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.5933e-01 S2 CA = 58.2(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.6145e-01 S2 CB = 63.9(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.4921e-01 S2 HA = 4.45(D), Expected = 4.51, Std = 0.4300, ChiSquare = 8.8903e-01 S2 HB2 = 3.82(D), Expected = 3.88, Std = 0.2900, ChiSquare = 8.3609e-01 S2 HB3 = 3.77(D), Expected = 3.87, Std = 0.3100, ChiSquare = 7.4701e-01 E3 C = 175.7(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.5993e-01 E3 CA = 56.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.0808e-01 E3 CB = 29.9(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.2639e-01 E3 CG = 35.8(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.8939e-01 E3 H = 8.44(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.6978e-01 E3 HA = 4.21(D), Expected = 4.26, Std = 0.4300, ChiSquare = 9.0743e-01 E3 HB2 = 1.85(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.8779e-01 E3 HB3 = 1.76(D), Expected = 2.04, Std = 0.2300, ChiSquare = 2.2346e-01 E3 HG2 = 2.09(D), Expected = 2.31, Std = 0.2100, ChiSquare = 2.9481e-01 E3 HG3 = 2.03(D), Expected = 2.31, Std = 0.2100, ChiSquare = 1.8242e-01 E3 N = 123.0(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.2841e-01 W4 C = 175.8(D), Expected = 176.10, Std = 1.8900, ChiSquare = 8.7388e-01 W4 CA = 56.1(D), Expected = 57.71, Std = 2.6500, ChiSquare = 5.4349e-01 W4 CB = 31.8(D), Expected = 30.16, Std = 2.1900, ChiSquare = 4.5394e-01 W4 H = 7.79(D), Expected = 8.35, Std = 0.8400, ChiSquare = 5.0499e-01 W4 HA = 4.91(D), Expected = 4.74, Std = 0.5500, ChiSquare = 7.5725e-01 W4 HB2 = 3.29(D), Expected = 3.22, Std = 0.3600, ChiSquare = 8.4583e-01 W4 HB3 = 3.19(D), Expected = 3.18, Std = 0.3600, ChiSquare = 9.7784e-01 W4 HD1 = 7.29(D), Expected = 7.16, Std = 0.3400, ChiSquare = 7.0220e-01 W4 HE1 = 10.13(D), Expected = 10.13, Std = 0.5300, ChiSquare = 1.0000e+00 W4 HE3 = 7.72(D), Expected = 7.17, Std = 1.0300, ChiSquare = 5.9335e-01 W4 HZ2 = 7.56(D), Expected = 7.14, Std = 0.8900, ChiSquare = 6.3699e-01 W4 HZ3 = 7.22(D), Expected = 6.68, Std = 1.0200, ChiSquare = 5.9652e-01 W4 HH2 = 7.30(D), Expected = 6.82, Std = 0.9400, ChiSquare = 6.0960e-01 W4 N = 120.3(D), Expected = 121.87, Std = 4.5800, ChiSquare = 7.3175e-01 W4 NE1 = 129.2(D), Expected = 129.48, Std = 2.5600, ChiSquare = 9.1291e-01 R5 C = 176.1(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.5672e-01 R5 CA = 56.3(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.8738e-01 R5 CB = 31.7(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.5682e-01 R5 CG = 27.5(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.0833e-01 R5 CD = 43.9(D), Expected = 43.10, Std = 1.1000, ChiSquare = 4.6706e-01 R5 H = 9.17(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.2114e-01 R5 HA = 4.38(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0259e-01 R5 HB2 = 1.78(D), Expected = 1.79, Std = 0.2800, ChiSquare = 9.7151e-01 R5 HB3 = 1.78(D), Expected = 1.78, Std = 0.2800, ChiSquare = 1.0000e+00 R5 HG2 = 1.67(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.3888e-01 R5 HG3 = 1.67(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.3888e-01 R5 HD2 = 3.30(D), Expected = 3.13, Std = 0.2300, ChiSquare = 4.5983e-01 R5 HD3 = 3.30(D), Expected = 3.13, Std = 0.2200, ChiSquare = 4.3968e-01 R5 HE = 7.24(D), Expected = 7.32, Std = 0.5200, ChiSquare = 8.7773e-01 R5 N = 123.1(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.2317e-01 R5 NE = 122.7(D), Expected = 89.80, Std = 12.8300, ChiSquare = 1.0338e-02 R6 C = 175.7(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.1456e-01 R6 CA = 56.6(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.8453e-01 R6 CB = 29.6(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.4926e-01 R6 CG = 27.8(D), Expected = 27.31, Std = 1.6500, ChiSquare = 7.6649e-01 R6 CD = 43.7(D), Expected = 43.10, Std = 1.1000, ChiSquare = 5.8544e-01 R6 H = 8.57(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.8232e-01 R6 HA = 4.50(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.0116e-01 R6 HB2 = 1.79(D), Expected = 1.79, Std = 0.2800, ChiSquare = 1.0000e+00 R6 HB3 = 1.67(D), Expected = 1.78, Std = 0.2800, ChiSquare = 6.9442e-01 R6 HG2 = 1.35(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.9430e-01 R6 HG3 = 1.35(D), Expected = 1.58, Std = 0.2700, ChiSquare = 3.9430e-01 R6 HD2 = 3.16(D), Expected = 3.13, Std = 0.2300, ChiSquare = 8.9622e-01 R6 HD3 = 3.08(D), Expected = 3.13, Std = 0.2200, ChiSquare = 8.2021e-01 R6 HE = 7.37(D), Expected = 7.32, Std = 0.5200, ChiSquare = 9.2340e-01 R6 N = 123.8(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.1339e-01 R6 NE = 122.6(D), Expected = 89.80, Std = 12.8300, ChiSquare = 1.0573e-02 I7 C = 172.5(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.8650e-02 I7 CA = 60.0(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.6736e-01 I7 CB = 40.7(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.1041e-01 I7 CG1 = 27.7(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.8281e-01 I7 CG2 = 18.8(D), Expected = 17.36, Std = 1.6000, ChiSquare = 3.6812e-01 I7 CD1 = 14.8(D), Expected = 13.41, Std = 1.9100, ChiSquare = 4.6677e-01 I7 H = 8.40(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.4368e-01 I7 HA = 4.51(D), Expected = 4.20, Std = 0.5600, ChiSquare = 5.7987e-01 I7 HB = 1.81(D), Expected = 1.80, Std = 0.3100, ChiSquare = 9.7427e-01 I7 HG2 = 0.80(D), Expected = 0.80, Std = 0.2900, ChiSquare = 1.0000e+00 I7 HG12 = 1.69(D), Expected = 1.30, Std = 0.4000, ChiSquare = 3.2956e-01 I7 HG13 = 1.69(D), Expected = 1.24, Std = 0.4000, ChiSquare = 2.6059e-01 I7 HD1 = 0.80(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.3888e-01 I7 N = 120.1(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.5064e-01 A8 C = 174.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.1885e-01 A8 CA = 51.5(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.2034e-01 A8 CB = 21.6(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.4444e-01 A8 H = 7.47(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.2373e-01 A8 HA = 4.71(D), Expected = 4.26, Std = 0.4200, ChiSquare = 2.8398e-01 A8 HB = 1.29(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.1885e-01 A8 N = 116.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.3976e-02 Y9 C = 175.2(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.1992e-01 Y9 CA = 56.6(D), Expected = 58.02, Std = 2.6400, ChiSquare = 5.9066e-01 Y9 CB = 43.1(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.7259e-02 Y9 H = 8.65(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.0890e-01 Y9 HA = 5.45(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.4312e-01 Y9 HB2 = 2.83(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.2882e-01 Y9 HB3 = 2.83(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.2882e-01 Y9 HD1 = 6.75(D), Expected = 6.87, Std = 0.6500, ChiSquare = 8.5353e-01 Y9 HD2 = 6.75(D), Expected = 6.86, Std = 0.6800, ChiSquare = 8.7149e-01 Y9 HE1 = 6.82(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.5630e-01 Y9 HE2 = 6.82(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.5544e-01 Y9 N = 114.8(D), Expected = 120.79, Std = 4.6900, ChiSquare = 2.0154e-01 V10 C = 174.8(D), Expected = 175.69, Std = 2.0300, ChiSquare = 6.6108e-01 V10 CA = 62.3(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.5278e-01 V10 CB = 34.8(D), Expected = 32.66, Std = 1.9100, ChiSquare = 2.6254e-01 V10 CG1 = 21.3(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.5830e-01 V10 CG2 = 23.2(D), Expected = 21.31, Std = 1.7600, ChiSquare = 2.8288e-01 V10 H = 9.66(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.3659e-02 V10 HA = 4.60(D), Expected = 4.16, Std = 0.5700, ChiSquare = 4.4016e-01 V10 HB = 2.15(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.2778e-01 V10 HG1 = 1.10(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.3557e-01 V10 HG2 = 0.98(D), Expected = 0.83, Std = 0.2900, ChiSquare = 6.0499e-01 V10 N = 121.5(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.2291e-01 Y11 C = 174.5(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.3771e-01 Y11 CA = 55.8(D), Expected = 58.02, Std = 2.6400, ChiSquare = 4.0040e-01 Y11 CB = 39.8(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.7412e-01 Y11 H = 8.46(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.0448e-01 Y11 HA = 5.35(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.9854e-01 Y11 HB2 = 2.62(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.3317e-01 Y11 HB3 = 2.98(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.4994e-01 Y11 HD1 = 6.13(D), Expected = 6.87, Std = 0.6500, ChiSquare = 2.5493e-01 Y11 HD2 = 6.13(D), Expected = 6.86, Std = 0.6800, ChiSquare = 2.8303e-01 Y11 HE1 = 6.31(D), Expected = 6.64, Std = 0.5800, ChiSquare = 5.6938e-01 Y11 HE2 = 6.31(D), Expected = 6.63, Std = 0.6100, ChiSquare = 5.9987e-01 Y11 N = 128.2(D), Expected = 120.79, Std = 4.6900, ChiSquare = 1.1412e-01 D12 C = 175.0(D), Expected = 176.41, Std = 1.7700, ChiSquare = 4.2568e-01 D12 CA = 54.2(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.7889e-01 D12 CB = 44.2(D), Expected = 40.70, Std = 1.6700, ChiSquare = 3.6099e-02 D12 H = 8.76(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.5062e-01 D12 HA = 4.62(D), Expected = 4.61, Std = 0.3100, ChiSquare = 9.7427e-01 D12 HB2 = 2.79(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.6311e-01 D12 HB3 = 2.56(D), Expected = 2.70, Std = 0.2900, ChiSquare = 6.2927e-01 D12 N = 128.7(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.7747e-02 R13 C = 176.6(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.5938e-01 R13 CA = 57.7(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.5565e-01 R13 CB = 27.5(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.4211e-02 R13 CD = 43.6(D), Expected = 43.10, Std = 1.1000, ChiSquare = 6.4944e-01 R13 H = 8.49(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.7692e-01 R13 HA = 3.69(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.8744e-01 R13 HB2 = 1.93(D), Expected = 1.79, Std = 0.2800, ChiSquare = 6.1707e-01 R13 HB3 = 1.64(D), Expected = 1.78, Std = 0.2800, ChiSquare = 6.1707e-01 R13 HG2 = 1.67(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.3888e-01 R13 HG3 = 1.67(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.3888e-01 R13 HD2 = 3.27(D), Expected = 3.13, Std = 0.2300, ChiSquare = 5.4273e-01 R13 HD3 = 3.27(D), Expected = 3.13, Std = 0.2200, ChiSquare = 5.2454e-01 R13 N = 123.0(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.4000e-01 Q14 C = 173.8(D), Expected = 176.39, Std = 1.9600, ChiSquare = 1.8636e-01 Q14 CA = 57.7(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.2191e-01 Q14 CB = 27.2(D), Expected = 29.10, Std = 1.9700, ChiSquare = 3.3481e-01 Q14 CG = 35.0(D), Expected = 33.72, Std = 1.1000, ChiSquare = 2.4457e-01 Q14 CD = 181.1(D), Expected = 179.68, Std = 1.1700, ChiSquare = 2.2487e-01 Q14 H = 7.88(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.8343e-01 Q14 HA = 3.68(D), Expected = 4.28, Std = 0.4400, ChiSquare = 1.7268e-01 Q14 HB2 = 2.29(D), Expected = 2.05, Std = 0.2800, ChiSquare = 3.9137e-01 Q14 HB3 = 2.29(D), Expected = 2.04, Std = 0.2900, ChiSquare = 3.8865e-01 Q14 HG2 = 2.37(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.6311e-01 Q14 HG3 = 2.28(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.9030e-01 Q14 HE21 = 7.53(D), Expected = 7.17, Std = 0.4600, ChiSquare = 4.3386e-01 Q14 HE22 = 6.86(D), Expected = 7.07, Std = 0.4900, ChiSquare = 6.6823e-01 Q14 N = 110.7(D), Expected = 119.92, Std = 4.0100, ChiSquare = 2.1491e-02 Q14 NE2 = 111.7(D), Expected = 111.81, Std = 2.2000, ChiSquare = 9.6012e-01 T15 C = 169.9(D), Expected = 174.60, Std = 1.8000, ChiSquare = 9.0249e-03 T15 CA = 61.9(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.2677e-01 T15 CB = 71.1(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.9044e-01 T15 CG2 = 21.5(D), Expected = 21.44, Std = 1.3900, ChiSquare = 9.6557e-01 T15 H = 7.30(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.1770e-01 T15 HA = 4.30(D), Expected = 4.48, Std = 0.5000, ChiSquare = 7.1885e-01 T15 HB = 3.68(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.8540e-01 T15 HG2 = 0.44(D), Expected = 1.16, Std = 0.2800, ChiSquare = 1.0128e-02 T15 N = 115.9(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.6841e-01 F16 C = 175.2(D), Expected = 175.49, Std = 2.1300, ChiSquare = 8.9170e-01 F16 CA = 56.8(D), Expected = 58.25, Std = 2.7300, ChiSquare = 5.9532e-01 F16 CB = 39.9(D), Expected = 39.95, Std = 2.0400, ChiSquare = 9.8045e-01 F16 H = 8.89(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.2534e-01 F16 HA = 5.07(D), Expected = 4.62, Std = 0.5800, ChiSquare = 4.3783e-01 F16 HB2 = 3.17(D), Expected = 2.99, Std = 0.3700, ChiSquare = 6.2662e-01 F16 HB3 = 2.49(D), Expected = 2.97, Std = 0.3800, ChiSquare = 2.0653e-01 F16 HD1 = 7.07(D), Expected = 6.91, Std = 0.8200, ChiSquare = 8.4530e-01 F16 HD2 = 7.07(D), Expected = 6.89, Std = 0.8600, ChiSquare = 8.3421e-01 F16 HE1 = 7.20(D), Expected = 6.95, Std = 0.8200, ChiSquare = 7.6046e-01 F16 HE2 = 7.20(D), Expected = 6.94, Std = 0.8600, ChiSquare = 7.6240e-01 F16 HZ = 7.29(D), Expected = 6.92, Std = 0.8000, ChiSquare = 6.4372e-01 F16 N = 122.0(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.5398e-01 F17 C = 173.6(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.7490e-01 F17 CA = 55.2(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.6390e-01 F17 CB = 41.5(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.4737e-01 F17 H = 9.48(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.5202e-01 F17 HA = 5.36(D), Expected = 4.62, Std = 0.5800, ChiSquare = 2.0200e-01 F17 HB2 = 3.01(D), Expected = 2.99, Std = 0.3700, ChiSquare = 9.5689e-01 F17 HB3 = 2.86(D), Expected = 2.97, Std = 0.3800, ChiSquare = 7.7222e-01 F17 HD1 = 7.36(D), Expected = 6.91, Std = 0.8200, ChiSquare = 5.8316e-01 F17 HD2 = 7.36(D), Expected = 6.89, Std = 0.8600, ChiSquare = 5.8471e-01 F17 HE1 = 7.58(D), Expected = 6.95, Std = 0.8200, ChiSquare = 4.4231e-01 F17 HE2 = 7.58(D), Expected = 6.94, Std = 0.8600, ChiSquare = 4.5676e-01 F17 HZ = 7.43(D), Expected = 6.92, Std = 0.8000, ChiSquare = 5.2380e-01 F17 N = 122.1(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.3588e-01 P18 C = 173.5(D), Expected = 176.70, Std = 1.6900, ChiSquare = 5.8293e-02 P18 CA = 63.6(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.5486e-01 P18 CB = 32.6(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.0796e-01 P18 CG = 28.0(D), Expected = 27.14, Std = 1.1800, ChiSquare = 4.6612e-01 P18 CD = 51.2(D), Expected = 50.28, Std = 1.0400, ChiSquare = 3.7636e-01 P18 HA = 4.21(D), Expected = 4.41, Std = 0.3600, ChiSquare = 5.7851e-01 P18 HB2 = 2.06(D), Expected = 2.05, Std = 0.3900, ChiSquare = 9.7954e-01 P18 HB3 = 1.84(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.9026e-01 P18 HG2 = 1.70(D), Expected = 1.93, Std = 0.3600, ChiSquare = 5.2290e-01 P18 HG3 = 1.36(D), Expected = 1.92, Std = 0.3700, ChiSquare = 1.3015e-01 P18 HD2 = 4.38(D), Expected = 3.64, Std = 0.3600, ChiSquare = 3.9825e-02 P18 HD3 = 4.21(D), Expected = 3.63, Std = 0.4000, ChiSquare = 1.4706e-01 L19 C = 175.6(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.1214e-01 L19 CA = 53.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.4856e-01 L19 CB = 45.3(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.1519e-01 L19 CG = 26.7(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.5534e-01 L19 CD1 = 23.7(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.4695e-01 L19 CD2 = 25.9(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.1190e-01 L19 H = 8.43(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.4664e-01 L19 HA = 4.90(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.1719e-01 L19 HB2 = 1.42(D), Expected = 1.63, Std = 0.3400, ChiSquare = 5.3681e-01 L19 HB3 = 0.96(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.0181e-02 L19 HG = 1.32(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.0499e-01 L19 HD1 = 0.56(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3670e-01 L19 HD2 = 0.51(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.7193e-01 L19 N = 124.5(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.3581e-01 L20 C = 179.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.9148e-01 L20 CA = 53.4(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0863e-01 L20 CB = 43.9(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.1075e-01 L20 CG = 27.2(D), Expected = 26.77, Std = 1.2500, ChiSquare = 7.3085e-01 L20 CD1 = 25.6(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.1091e-01 L20 CD2 = 22.4(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.3955e-01 L20 H = 8.46(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.1196e-01 L20 HA = 5.11(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.2792e-02 L20 HB2 = 2.26(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.3891e-02 L20 HB3 = 1.37(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.7851e-01 L20 HG = 1.71(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.0645e-01 L20 HD1 = 0.98(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3670e-01 L20 HD2 = 0.81(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5827e-01 L20 N = 123.0(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.0211e-01 E21 C = 174.3(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.1260e-01 E21 CA = 58.4(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.5452e-01 E21 CB = 30.5(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.1522e-01 E21 CG = 36.9(D), Expected = 36.01, Std = 1.5100, ChiSquare = 5.5559e-01 E21 H = 8.44(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.6978e-01 E21 HA = 3.84(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.2870e-01 E21 HB2 = 2.38(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.2224e-01 E21 HB3 = 2.08(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.6193e-01 E21 HG2 = 2.52(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.1731e-01 E21 HG3 = 2.37(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.7510e-01 E21 N = 116.5(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.5601e-01 N22 C = 176.2(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.5458e-01 N22 CA = 52.1(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.9299e-01 N22 CB = 36.7(D), Expected = 38.66, Std = 1.7800, ChiSquare = 2.7084e-01 N22 CG = 175.6(D), Expected = 176.61, Std = 1.3300, ChiSquare = 4.4761e-01 N22 H = 7.03(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.9252e-02 N22 HA = 4.40(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.4176e-01 N22 HB2 = 2.84(D), Expected = 2.80, Std = 0.3400, ChiSquare = 9.0635e-01 N22 HB3 = 1.66(S), Expected = 2.78, Std = 0.3400, ChiSquare = 9.8731e-04 N22 HD21 = 6.40(D), Expected = 7.27, Std = 0.5200, ChiSquare = 9.4312e-02 N22 HD22 = 5.64(D), Expected = 7.20, Std = 0.5200, ChiSquare = 2.6998e-03 N22 N = 113.9(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.3671e-01 N22 ND2 = 105.9(D), Expected = 112.83, Std = 2.6000, ChiSquare = 7.6900e-03 G23 C = 172.8(D), Expected = 174.04, Std = 1.9400, ChiSquare = 5.2271e-01 G23 CA = 45.1(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.7133e-01 G23 H = 8.24(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.9251e-01 G23 HA2 = 3.50(D), Expected = 3.95, Std = 0.4000, ChiSquare = 2.6059e-01 G23 HA3 = 4.11(D), Expected = 3.93, Std = 0.4000, ChiSquare = 6.5271e-01 G23 N = 108.5(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.4240e-01 R24 C = 174.2(D), Expected = 176.49, Std = 2.1600, ChiSquare = 2.8906e-01 R24 CA = 56.0(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.9344e-01 R24 CB = 31.0(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.4767e-01 R24 CG = 27.2(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.4685e-01 R24 CD = 43.3(D), Expected = 43.10, Std = 1.1000, ChiSquare = 8.5573e-01 R24 H = 7.04(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.5500e-02 R24 HA = 4.16(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0259e-01 R24 HB2 = 1.72(D), Expected = 1.79, Std = 0.2800, ChiSquare = 8.0259e-01 R24 HB3 = 1.68(D), Expected = 1.78, Std = 0.2800, ChiSquare = 7.2098e-01 R24 HG2 = 1.52(D), Expected = 1.58, Std = 0.2700, ChiSquare = 8.2414e-01 R24 HG3 = 1.40(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.0499e-01 R24 HD2 = 3.11(D), Expected = 3.13, Std = 0.2300, ChiSquare = 9.3071e-01 R24 HD3 = 3.11(D), Expected = 3.13, Std = 0.2200, ChiSquare = 9.2757e-01 R24 N = 119.0(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.7974e-01 L25 C = 177.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.2688e-01 L25 CA = 54.0(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.5530e-01 L25 CB = 44.2(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.2518e-01 L25 CG = 27.7(D), Expected = 26.77, Std = 1.2500, ChiSquare = 4.5688e-01 L25 CD1 = 25.6(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.1091e-01 L25 CD2 = 25.6(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.9940e-01 L25 H = 8.16(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.2645e-01 L25 HA = 4.99(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.5400e-01 L25 HB2 = 1.44(D), Expected = 1.63, Std = 0.3400, ChiSquare = 5.7628e-01 L25 HB3 = 1.44(D), Expected = 1.57, Std = 0.3600, ChiSquare = 7.1802e-01 L25 HG = 1.39(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.4944e-01 L25 HD1 = 0.81(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8223e-01 L25 HD2 = 0.69(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.0259e-01 L25 N = 125.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.4333e-01 L26 C = 177.1(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.5040e-01 L26 CA = 53.0(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.3049e-01 L26 CB = 39.9(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.8419e-01 L26 CG = 26.1(D), Expected = 26.77, Std = 1.2500, ChiSquare = 5.9196e-01 L26 CD1 = 25.9(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.9384e-01 L26 CD2 = 23.0(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.3659e-01 L26 H = 8.62(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.3830e-01 L26 HA = 4.79(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.1731e-01 L26 HB2 = 1.86(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.9874e-01 L26 HB3 = 1.55(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.5570e-01 L26 HG = 1.57(D), Expected = 1.54, Std = 0.3300, ChiSquare = 9.2757e-01 L26 HD1 = 0.98(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3670e-01 L26 HD2 = 0.88(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.6823e-01 L26 N = 126.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.8850e-01 K27 C = 178.1(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.2371e-01 K27 CA = 58.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.5990e-01 K27 CB = 32.0(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.5886e-01 K27 CG = 25.5(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.5244e-01 K27 CD = 28.8(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.8852e-01 K27 CE = 41.6(D), Expected = 41.78, Std = 0.9800, ChiSquare = 8.5427e-01 K27 H = 7.67(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.9013e-01 K27 HA = 4.06(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.2492e-01 K27 HB2 = 1.79(D), Expected = 1.79, Std = 0.2500, ChiSquare = 1.0000e+00 K27 HB3 = 1.79(D), Expected = 1.78, Std = 0.2600, ChiSquare = 9.6932e-01 K27 HG2 = 1.39(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.7046e-01 K27 HG3 = 0.97(D), Expected = 1.37, Std = 0.2900, ChiSquare = 1.6780e-01 K27 HD2 = 1.45(D), Expected = 1.61, Std = 0.2500, ChiSquare = 5.2217e-01 K27 HD3 = 1.45(D), Expected = 1.61, Std = 0.2500, ChiSquare = 5.2217e-01 K27 HE2 = 2.74(D), Expected = 2.93, Std = 0.2000, ChiSquare = 3.4211e-01 K27 HE3 = 2.74(D), Expected = 2.93, Std = 0.2000, ChiSquare = 3.4211e-01 K27 N = 123.0(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.5438e-01 Q28 C = 176.2(D), Expected = 176.39, Std = 1.9600, ChiSquare = 9.2278e-01 Q28 CA = 56.7(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.7086e-01 Q28 CB = 28.3(D), Expected = 29.10, Std = 1.9700, ChiSquare = 6.8468e-01 Q28 CG = 34.5(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.7827e-01 Q28 CD = 177.3(D), Expected = 179.68, Std = 1.1700, ChiSquare = 4.1933e-02 Q28 H = 9.06(D), Expected = 8.22, Std = 0.6200, ChiSquare = 1.7547e-01 Q28 HA = 4.62(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.3968e-01 Q28 HB2 = 2.41(D), Expected = 2.05, Std = 0.2800, ChiSquare = 1.9854e-01 Q28 HB3 = 2.25(D), Expected = 2.04, Std = 0.2900, ChiSquare = 4.6898e-01 Q28 HG2 = 2.52(D), Expected = 2.32, Std = 0.2900, ChiSquare = 4.9041e-01 Q28 HG3 = 2.61(D), Expected = 2.32, Std = 0.2900, ChiSquare = 3.1731e-01 Q28 HE21 = 7.71(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.4043e-01 Q28 HE22 = 6.93(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.7510e-01 Q28 N = 116.3(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.6666e-01 Q28 NE2 = 112.4(D), Expected = 111.81, Std = 2.2000, ChiSquare = 7.8856e-01 E29 C = 175.5(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.9795e-01 E29 CA = 55.1(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.8944e-01 E29 CB = 29.9(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.2639e-01 E29 CG = 36.6(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.9600e-01 E29 H = 7.53(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.8422e-01 E29 HA = 4.84(D), Expected = 4.26, Std = 0.4300, ChiSquare = 1.7739e-01 E29 HB2 = 2.67(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.1881e-03 E29 HB3 = 1.79(D), Expected = 2.04, Std = 0.2300, ChiSquare = 2.7706e-01 E29 HG2 = 2.30(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6202e-01 E29 HG3 = 2.30(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6202e-01 E29 N = 119.4(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.2797e-01 G30 C = 173.7(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.6088e-01 G30 CA = 46.5(D), Expected = 45.33, Std = 1.4200, ChiSquare = 4.0997e-01 G30 H = 8.08(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.2532e-01 G30 HA2 = 4.53(D), Expected = 3.95, Std = 0.4000, ChiSquare = 1.4706e-01 G30 HA3 = 3.33(D), Expected = 3.93, Std = 0.4000, ChiSquare = 1.3361e-01 G30 N = 106.2(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.8715e-01 T31 C = 173.2(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.3670e-01 T31 CA = 59.3(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.9473e-01 T31 CB = 71.0(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.2371e-01 T31 CG2 = 20.2(D), Expected = 21.44, Std = 1.3900, ChiSquare = 3.7235e-01 T31 H = 8.60(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.9455e-01 T31 HA = 5.07(D), Expected = 4.48, Std = 0.5000, ChiSquare = 2.3800e-01 T31 HB = 4.40(D), Expected = 4.17, Std = 0.3700, ChiSquare = 5.3419e-01 T31 HG2 = 1.41(D), Expected = 1.16, Std = 0.2800, ChiSquare = 3.7193e-01 T31 N = 116.3(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.0542e-01 K32 C = 176.6(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.4555e-01 K32 CA = 56.6(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.1505e-01 K32 CB = 32.9(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.7030e-01 K32 CG = 25.3(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.6592e-01 K32 CD = 28.8(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.8852e-01 K32 CE = 42.3(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.9569e-01 K32 H = 8.67(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.8198e-01 K32 HA = 4.85(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.0527e-01 K32 HB2 = 2.23(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.8408e-02 K32 HB3 = 1.94(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.3830e-01 K32 HG2 = 1.67(D), Expected = 1.38, Std = 0.2700, ChiSquare = 2.8279e-01 K32 HG3 = 1.67(D), Expected = 1.37, Std = 0.2900, ChiSquare = 3.0091e-01 K32 HD2 = 1.81(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.2371e-01 K32 HD3 = 1.81(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.2371e-01 K32 HE2 = 3.10(D), Expected = 2.93, Std = 0.2000, ChiSquare = 3.9533e-01 K32 HE3 = 3.10(D), Expected = 2.93, Std = 0.2000, ChiSquare = 3.9533e-01 K32 N = 123.1(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.3691e-01 T33 C = 172.9(D), Expected = 174.60, Std = 1.8000, ChiSquare = 3.4494e-01 T33 CA = 61.4(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.8275e-01 T33 CB = 70.1(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.8671e-01 T33 CG2 = 21.8(D), Expected = 21.44, Std = 1.3900, ChiSquare = 7.9564e-01 T33 H = 7.87(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.1882e-01 T33 HA = 4.37(D), Expected = 4.48, Std = 0.5000, ChiSquare = 8.2587e-01 T33 HB = 3.94(D), Expected = 4.17, Std = 0.3700, ChiSquare = 5.3419e-01 T33 HG2 = 1.19(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.1468e-01 T33 N = 116.2(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.2113e-01 A34 C = 175.2(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.3300e-01 A34 CA = 49.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.1353e-01 A34 CB = 17.5(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.4920e-01 A34 H = 8.29(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8076e-01 A34 HA = 2.80(S), Expected = 4.26, Std = 0.4200, ChiSquare = 5.0859e-04 A34 HB = 0.91(D), Expected = 1.38, Std = 0.2500, ChiSquare = 6.0108e-02 A34 N = 129.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.1435e-02 P35 C = 176.6(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.5282e-01 P35 CA = 61.7(D), Expected = 63.30, Std = 1.6400, ChiSquare = 3.2926e-01 P35 CB = 33.7(D), Expected = 31.81, Std = 1.5400, ChiSquare = 2.1972e-01 P35 CG = 26.1(D), Expected = 27.14, Std = 1.1800, ChiSquare = 3.7813e-01 P35 CD = 49.9(D), Expected = 50.28, Std = 1.0400, ChiSquare = 7.1482e-01 P35 HA = 4.36(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.8954e-01 P35 HB2 = 1.66(D), Expected = 2.05, Std = 0.3900, ChiSquare = 3.1731e-01 P35 HB3 = 1.59(D), Expected = 2.05, Std = 0.3900, ChiSquare = 2.3820e-01 P35 HG2 = 1.03(D), Expected = 1.93, Std = 0.3600, ChiSquare = 1.2419e-02 P35 HG3 = 0.58(S), Expected = 1.92, Std = 0.3700, ChiSquare = 2.9276e-04 P35 HD2 = 2.52(D), Expected = 3.64, Std = 0.3600, ChiSquare = 1.8638e-03 P35 HD3 = 2.21(S), Expected = 3.63, Std = 0.4000, ChiSquare = 3.8523e-04 S36 C = 175.0(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.8587e-01 S36 CA = 57.9(D), Expected = 58.57, Std = 2.1200, ChiSquare = 7.5197e-01 S36 CB = 64.9(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.8353e-01 S36 H = 8.52(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.1066e-01 S36 HA = 4.78(D), Expected = 4.51, Std = 0.4300, ChiSquare = 5.3006e-01 S36 HB2 = 4.01(D), Expected = 3.88, Std = 0.2900, ChiSquare = 6.5395e-01 S36 HB3 = 3.81(D), Expected = 3.87, Std = 0.3100, ChiSquare = 8.4653e-01 S36 N = 110.5(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.4201e-01 D37 C = 174.3(D), Expected = 176.41, Std = 1.7700, ChiSquare = 2.3323e-01 D37 CA = 53.9(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.6781e-01 D37 CB = 40.7(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.0000e+00 D37 H = 8.46(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.1959e-01 D37 HA = 4.68(D), Expected = 4.61, Std = 0.3100, ChiSquare = 8.2135e-01 D37 HB2 = 2.70(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.9030e-01 D37 HB3 = 3.03(D), Expected = 2.70, Std = 0.2900, ChiSquare = 2.5515e-01 D37 N = 117.8(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.8542e-01 A38 C = 173.6(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.4029e-02 A38 CA = 51.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.4137e-01 A38 CB = 19.1(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.1391e-01 A38 H = 7.54(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7133e-01 A38 HA = 4.67(D), Expected = 4.26, Std = 0.4200, ChiSquare = 3.2897e-01 A38 HB = 1.31(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.7948e-01 A38 N = 121.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.8325e-01 P39 C = 175.2(D), Expected = 176.70, Std = 1.6900, ChiSquare = 3.7477e-01 P39 CA = 62.5(D), Expected = 63.30, Std = 1.6400, ChiSquare = 6.2569e-01 P39 CB = 32.8(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.2032e-01 P39 CG = 27.8(D), Expected = 27.14, Std = 1.1800, ChiSquare = 5.7594e-01 P39 CD = 49.8(D), Expected = 50.28, Std = 1.0400, ChiSquare = 6.4441e-01 P39 HA = 4.58(D), Expected = 4.41, Std = 0.3600, ChiSquare = 6.3677e-01 P39 HB2 = 1.62(D), Expected = 2.05, Std = 0.3900, ChiSquare = 2.7022e-01 P39 HB3 = 2.05(D), Expected = 2.05, Std = 0.3900, ChiSquare = 1.0000e+00 P39 HG2 = 2.28(D), Expected = 1.93, Std = 0.3600, ChiSquare = 3.3094e-01 P39 HG3 = 2.14(D), Expected = 1.92, Std = 0.3700, ChiSquare = 5.5211e-01 P39 HD2 = 4.06(D), Expected = 3.64, Std = 0.3600, ChiSquare = 2.4334e-01 P39 HD3 = 3.89(D), Expected = 3.63, Std = 0.4000, ChiSquare = 5.1569e-01 V40 C = 175.8(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.5679e-01 V40 CA = 61.3(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.9790e-01 V40 CB = 34.5(D), Expected = 32.66, Std = 1.9100, ChiSquare = 3.3537e-01 V40 CG1 = 22.9(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.2048e-01 V40 CG2 = 22.4(D), Expected = 21.31, Std = 1.7600, ChiSquare = 5.3571e-01 V40 H = 7.83(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.1706e-01 V40 HA = 4.87(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.1291e-01 V40 HB = 2.26(D), Expected = 1.99, Std = 0.3300, ChiSquare = 4.1325e-01 V40 HG1 = 1.17(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.2162e-01 V40 HG2 = 1.20(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.0200e-01 V40 N = 118.1(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.5606e-01 L41 C = 176.4(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.8506e-01 L41 CA = 55.0(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.6867e-01 L41 CB = 40.4(D), Expected = 42.37, Std = 1.8600, ChiSquare = 2.8954e-01 L41 CG = 28.3(D), Expected = 26.77, Std = 1.2500, ChiSquare = 2.2095e-01 L41 CD1 = 25.1(D), Expected = 24.73, Std = 1.7100, ChiSquare = 8.2870e-01 L41 CD2 = 24.3(D), Expected = 24.10, Std = 1.7800, ChiSquare = 9.1054e-01 L41 H = 9.61(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.2479e-02 L41 HA = 5.20(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.1160e-02 L41 HB2 = 1.71(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.1398e-01 L41 HB3 = 1.08(D), Expected = 1.57, Std = 0.3600, ChiSquare = 1.7348e-01 L41 HG = 1.39(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.4944e-01 L41 HD1 = 0.22(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1646e-02 L41 HD2 = 0.05(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1222e-02 L41 N = 129.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.2094e-02 V42 C = 174.0(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.0512e-01 V42 CA = 63.1(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.3839e-01 V42 CB = 34.5(D), Expected = 32.66, Std = 1.9100, ChiSquare = 3.3537e-01 V42 CG1 = 21.8(D), Expected = 21.38, Std = 1.5300, ChiSquare = 7.8369e-01 V42 H = 8.86(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.2208e-01 V42 HA = 4.58(D), Expected = 4.16, Std = 0.5700, ChiSquare = 4.6122e-01 V42 HB = 1.29(D), Expected = 1.99, Std = 0.3300, ChiSquare = 3.3904e-02 V42 HG1 = 0.88(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.8223e-01 V42 HG2 = 0.88(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6311e-01 V42 N = 117.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.4120e-01 G43 C = 175.4(D), Expected = 174.04, Std = 1.9400, ChiSquare = 4.8328e-01 G43 CA = 45.8(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.4065e-01 G43 H = 9.59(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.1183e-02 G43 HA2 = 4.57(D), Expected = 3.95, Std = 0.4000, ChiSquare = 1.2114e-01 G43 HA3 = 3.99(D), Expected = 3.93, Std = 0.4000, ChiSquare = 8.8076e-01 G43 N = 117.7(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.9393e-02 W44 C = 174.2(D), Expected = 176.10, Std = 1.8900, ChiSquare = 3.1476e-01 W44 CA = 58.2(D), Expected = 57.71, Std = 2.6500, ChiSquare = 8.5330e-01 W44 CB = 28.3(D), Expected = 30.16, Std = 2.1900, ChiSquare = 3.9571e-01 W44 H = 9.04(D), Expected = 8.35, Std = 0.8400, ChiSquare = 4.1140e-01 W44 HA = 4.21(D), Expected = 4.74, Std = 0.5500, ChiSquare = 3.3523e-01 W44 HB2 = 3.20(D), Expected = 3.22, Std = 0.3600, ChiSquare = 9.5570e-01 W44 HB3 = 2.99(D), Expected = 3.18, Std = 0.3600, ChiSquare = 5.9765e-01 W44 HD1 = 7.04(D), Expected = 7.16, Std = 0.3400, ChiSquare = 7.2413e-01 W44 HE1 = 10.58(D), Expected = 10.13, Std = 0.5300, ChiSquare = 3.9585e-01 W44 HE3 = 7.29(D), Expected = 7.17, Std = 1.0300, ChiSquare = 9.0725e-01 W44 HZ2 = 7.17(D), Expected = 7.14, Std = 0.8900, ChiSquare = 9.7311e-01 W44 HZ3 = 6.72(D), Expected = 6.68, Std = 1.0200, ChiSquare = 9.6872e-01 W44 HH2 = 6.93(D), Expected = 6.82, Std = 0.9400, ChiSquare = 9.0684e-01 W44 N = 123.0(D), Expected = 121.87, Std = 4.5800, ChiSquare = 8.0512e-01 W44 NE1 = 131.9(D), Expected = 129.48, Std = 2.5600, ChiSquare = 3.4450e-01 K45 C = 175.6(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.7484e-01 K45 CA = 55.6(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.8156e-01 K45 CB = 34.0(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.3372e-01 K45 CG = 24.8(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.3308e-01 K45 CD = 28.7(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.5410e-01 K45 CE = 42.1(D), Expected = 41.78, Std = 0.9800, ChiSquare = 7.4402e-01 K45 H = 8.39(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.9053e-01 K45 HA = 4.55(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.4851e-01 K45 HB2 = 2.02(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.5757e-01 K45 HB3 = 1.85(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.8775e-01 K45 HG2 = 1.50(D), Expected = 1.38, Std = 0.2700, ChiSquare = 6.5672e-01 K45 HG3 = 1.50(D), Expected = 1.37, Std = 0.2900, ChiSquare = 6.5395e-01 K45 HD2 = 1.74(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.0306e-01 K45 HD3 = 1.74(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.0306e-01 K45 HE2 = 2.98(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.0259e-01 K45 HE3 = 2.98(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.0259e-01 K45 N = 121.6(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.1474e-01 D46 C = 176.5(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.5945e-01 D46 CA = 54.1(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.4148e-01 D46 CB = 42.6(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.5524e-01 D46 H = 7.77(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.2588e-01 D46 HA = 4.77(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.0576e-01 D46 HB2 = 2.84(D), Expected = 2.74, Std = 0.2900, ChiSquare = 7.3022e-01 D46 HB3 = 2.66(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.9030e-01 D46 N = 119.4(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.5150e-01 G47 C = 175.9(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.3768e-01 G47 CA = 46.6(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.7113e-01 G47 H = 8.73(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.9817e-01 G47 HA2 = 3.84(D), Expected = 3.95, Std = 0.4000, ChiSquare = 7.8332e-01 G47 HA3 = 4.18(D), Expected = 3.93, Std = 0.4000, ChiSquare = 5.3197e-01 G47 N = 112.5(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.4602e-01 D48 C = 178.2(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.1187e-01 D48 CA = 57.1(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.1923e-01 D48 CB = 40.4(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.5743e-01 D48 H = 8.44(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.4697e-01 D48 HA = 4.61(D), Expected = 4.61, Std = 0.3100, ChiSquare = 1.0000e+00 D48 HB2 = 2.91(D), Expected = 2.74, Std = 0.2900, ChiSquare = 5.5774e-01 D48 HB3 = 2.79(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.5630e-01 D48 N = 122.8(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.2211e-01 A49 C = 179.8(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.5892e-01 A49 CA = 55.0(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7175e-01 A49 CB = 17.8(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.5211e-01 A49 H = 8.06(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1550e-01 A49 HA = 4.48(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.0041e-01 A49 HB = 1.59(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.0091e-01 A49 N = 124.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.3142e-01 I50 C = 178.1(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.4231e-01 I50 CA = 65.2(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.9409e-01 I50 CB = 38.3(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.9343e-01 I50 CG1 = 30.2(D), Expected = 27.65, Std = 2.3200, ChiSquare = 2.7171e-01 I50 CG2 = 17.2(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.2034e-01 I50 CD1 = 13.2(D), Expected = 13.41, Std = 1.9100, ChiSquare = 9.1245e-01 I50 H = 7.91(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.2204e-01 I50 HA = 3.38(D), Expected = 4.20, Std = 0.5600, ChiSquare = 1.4312e-01 I50 HB = 1.86(D), Expected = 1.80, Std = 0.3100, ChiSquare = 8.4653e-01 I50 HG2 = 0.67(D), Expected = 0.80, Std = 0.2900, ChiSquare = 6.5395e-01 I50 HG12 = 1.71(D), Expected = 1.30, Std = 0.4000, ChiSquare = 3.0536e-01 I50 HG13 = 1.60(D), Expected = 1.24, Std = 0.4000, ChiSquare = 3.6812e-01 I50 HD1 = 0.71(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.7341e-01 I50 N = 118.3(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.8446e-01 A51 C = 180.7(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.8343e-01 A51 CA = 55.6(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.3623e-01 A51 CB = 17.9(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.8882e-01 A51 H = 7.90(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1707e-01 A51 HA = 4.16(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.1181e-01 A51 HB = 1.57(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.4725e-01 A51 N = 124.3(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.7244e-01 E52 C = 179.6(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.0573e-01 E52 CA = 59.3(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9065e-01 E52 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E52 CG = 36.4(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.9619e-01 E52 H = 8.01(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.8852e-01 E52 HA = 4.17(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.3421e-01 E52 HB2 = 2.30(D), Expected = 2.04, Std = 0.2200, ChiSquare = 2.3728e-01 E52 HB3 = 2.20(D), Expected = 2.04, Std = 0.2300, ChiSquare = 4.8665e-01 E52 HG2 = 2.51(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.4090e-01 E52 HG3 = 2.37(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.7510e-01 E52 N = 119.6(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.6916e-01 M53 C = 178.3(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.4775e-01 M53 CA = 57.1(D), Expected = 56.16, Std = 2.3400, ChiSquare = 6.8790e-01 M53 CB = 34.2(D), Expected = 32.90, Std = 2.2300, ChiSquare = 5.5992e-01 M53 CG = 29.6(D), Expected = 32.07, Std = 1.4500, ChiSquare = 8.8484e-02 M53 CE = 18.1(D), Expected = 17.21, Std = 3.4200, ChiSquare = 7.9468e-01 M53 H = 8.27(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8670e-01 M53 HA = 4.28(D), Expected = 4.39, Std = 0.4600, ChiSquare = 8.1100e-01 M53 HB2 = 2.01(D), Expected = 2.03, Std = 0.3800, ChiSquare = 9.5803e-01 M53 HB3 = 1.89(D), Expected = 2.01, Std = 0.3600, ChiSquare = 7.3888e-01 M53 HG2 = 2.49(D), Expected = 2.44, Std = 0.3600, ChiSquare = 8.8954e-01 M53 HG3 = 2.49(D), Expected = 2.41, Std = 0.4000, ChiSquare = 8.4148e-01 M53 HE = 1.17(D), Expected = 1.86, Std = 0.4700, ChiSquare = 1.4208e-01 M53 N = 119.6(D), Expected = 120.10, Std = 3.8800, ChiSquare = 8.9746e-01 T54 C = 175.9(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.7016e-01 T54 CA = 67.8(D), Expected = 62.15, Std = 2.7200, ChiSquare = 3.7783e-02 T54 CB = 67.9(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.0606e-01 T54 CG2 = 22.1(D), Expected = 21.44, Std = 1.3900, ChiSquare = 6.3491e-01 T54 H = 8.44(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.8394e-01 T54 HA = 3.50(D), Expected = 4.48, Std = 0.5000, ChiSquare = 4.9996e-02 T54 HB = 4.19(D), Expected = 4.17, Std = 0.3700, ChiSquare = 9.5689e-01 T54 HG2 = 1.03(D), Expected = 1.16, Std = 0.2800, ChiSquare = 6.4244e-01 T54 N = 115.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.8420e-01 G55 C = 176.4(D), Expected = 174.04, Std = 1.9400, ChiSquare = 2.2380e-01 G55 CA = 47.1(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.1259e-01 G55 H = 7.44(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.2390e-01 G55 HA2 = 4.03(D), Expected = 3.95, Std = 0.4000, ChiSquare = 8.4148e-01 G55 HA3 = 3.97(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.2034e-01 G55 N = 106.1(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.7448e-01 Q56 C = 178.7(D), Expected = 176.39, Std = 1.9600, ChiSquare = 2.3857e-01 Q56 CA = 57.7(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.2191e-01 Q56 CB = 29.4(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.7896e-01 Q56 CG = 32.9(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.5600e-01 Q56 CD = 179.1(D), Expected = 179.68, Std = 1.1700, ChiSquare = 6.2009e-01 Q56 H = 7.17(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.0351e-02 Q56 HA = 4.26(D), Expected = 4.28, Std = 0.4400, ChiSquare = 9.6375e-01 Q56 HB2 = 2.45(D), Expected = 2.05, Std = 0.2800, ChiSquare = 1.5313e-01 Q56 HB3 = 2.45(D), Expected = 2.04, Std = 0.2900, ChiSquare = 1.5742e-01 Q56 HG2 = 3.21(D), Expected = 2.32, Std = 0.2900, ChiSquare = 2.1480e-03 Q56 HG3 = 2.70(D), Expected = 2.32, Std = 0.2900, ChiSquare = 1.9008e-01 Q56 HE21 = 7.79(D), Expected = 7.17, Std = 0.4600, ChiSquare = 1.7771e-01 Q56 HE22 = 6.95(D), Expected = 7.07, Std = 0.4900, ChiSquare = 8.0654e-01 Q56 N = 117.8(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.9703e-01 Q56 NE2 = 114.1(D), Expected = 111.81, Std = 2.2000, ChiSquare = 2.9792e-01 L57 C = 179.3(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.6492e-01 L57 CA = 57.7(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.5361e-01 L57 CB = 42.0(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.4232e-01 L57 CG = 26.7(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.5534e-01 L57 CD1 = 23.4(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.3670e-01 L57 CD2 = 25.9(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.1190e-01 L57 H = 8.21(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.8773e-01 L57 HA = 4.09(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.2459e-01 L57 HB2 = 1.93(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.7759e-01 L57 HB3 = 1.42(D), Expected = 1.57, Std = 0.3600, ChiSquare = 6.7692e-01 L57 HG = 1.75(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.2454e-01 L57 HD1 = 0.78(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.7046e-01 L57 HD2 = 0.61(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.9216e-01 L57 N = 117.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.9298e-01 A58 C = 177.7(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.6341e-01 A58 CA = 54.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.1366e-01 A58 CB = 18.9(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.0000e+00 A58 H = 8.16(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 A58 HA = 4.09(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.8565e-01 A58 HB = 1.62(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.3706e-01 A58 N = 117.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.2810e-01 E59 C = 177.2(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.9818e-01 E59 CA = 56.1(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.4668e-01 E59 CB = 30.5(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.1522e-01 E59 CG = 35.6(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.8599e-01 E59 H = 7.29(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.5194e-02 E59 HA = 4.41(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.2721e-01 E59 HB2 = 2.30(D), Expected = 2.04, Std = 0.2200, ChiSquare = 2.3728e-01 E59 HB3 = 2.13(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.9557e-01 E59 HG2 = 2.56(D), Expected = 2.31, Std = 0.2100, ChiSquare = 2.3386e-01 E59 HG3 = 2.45(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.0499e-01 E59 N = 114.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.0416e-01 L60 C = 174.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.7742e-01 L60 CA = 53.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.4856e-01 L60 CB = 42.6(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.0159e-01 L60 CG = 26.7(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.5534e-01 L60 CD1 = 24.5(D), Expected = 24.73, Std = 1.7100, ChiSquare = 8.9301e-01 L60 CD2 = 27.8(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.7649e-02 L60 H = 7.39(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.0163e-01 L60 HA = 4.65(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8260e-01 L60 HB2 = 2.10(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.6686e-01 L60 HB3 = 1.37(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.7851e-01 L60 HG = 2.18(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.2453e-02 L60 HD1 = 1.00(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9430e-01 L60 HD2 = 1.10(D), Expected = 0.76, Std = 0.2800, ChiSquare = 2.2464e-01 L60 N = 120.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.4414e-01 P61 C = 178.0(D), Expected = 176.70, Std = 1.6900, ChiSquare = 4.4176e-01 P61 CA = 62.5(D), Expected = 63.30, Std = 1.6400, ChiSquare = 6.2569e-01 P61 CB = 32.6(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.0796e-01 P61 CG = 28.0(D), Expected = 27.14, Std = 1.1800, ChiSquare = 4.6612e-01 P61 CD = 50.9(D), Expected = 50.28, Std = 1.0400, ChiSquare = 5.5107e-01 P61 HA = 4.70(D), Expected = 4.41, Std = 0.3600, ChiSquare = 4.2050e-01 P61 HB2 = 2.67(D), Expected = 2.05, Std = 0.3900, ChiSquare = 1.1189e-01 P61 HB3 = 2.03(D), Expected = 2.05, Std = 0.3900, ChiSquare = 9.5910e-01 P61 HG2 = 2.31(D), Expected = 1.93, Std = 0.3600, ChiSquare = 2.9117e-01 P61 HG3 = 2.21(D), Expected = 1.92, Std = 0.3700, ChiSquare = 4.3317e-01 P61 HD2 = 4.17(D), Expected = 3.64, Std = 0.3600, ChiSquare = 1.4096e-01 P61 HD3 = 3.45(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.5271e-01 A62 C = 180.5(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.1552e-01 A62 CA = 55.8(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.0000e-01 A62 CB = 18.3(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.4569e-01 A62 H = 8.96(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0527e-01 A62 HA = 4.13(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.5692e-01 A62 HB = 1.59(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.0091e-01 A62 N = 127.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.3757e-01 A63 C = 179.8(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.5892e-01 A63 CA = 54.7(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.5472e-01 A63 CB = 18.8(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.5689e-01 A63 H = 8.88(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5707e-01 A63 HA = 4.21(D), Expected = 4.26, Std = 0.4200, ChiSquare = 9.0524e-01 A63 HB = 1.50(D), Expected = 1.38, Std = 0.2500, ChiSquare = 6.3123e-01 A63 N = 118.0(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.5750e-01 V64 C = 177.5(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.7259e-01 V64 CA = 65.5(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.2050e-01 V64 CB = 32.1(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.6937e-01 V64 CG1 = 22.4(D), Expected = 21.38, Std = 1.5300, ChiSquare = 5.0499e-01 V64 CG2 = 22.9(D), Expected = 21.31, Std = 1.7600, ChiSquare = 3.6631e-01 V64 H = 7.35(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.8552e-01 V64 HA = 3.82(D), Expected = 4.16, Std = 0.5700, ChiSquare = 5.5085e-01 V64 HB = 2.17(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.8544e-01 V64 HG1 = 1.03(D), Expected = 0.84, Std = 0.2700, ChiSquare = 4.8162e-01 V64 HG2 = 1.13(D), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0091e-01 V64 N = 115.6(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.7451e-01 L65 C = 179.3(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.6492e-01 L65 CA = 58.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.9719e-01 L65 CB = 42.3(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6998e-01 L65 CG = 27.5(D), Expected = 26.77, Std = 1.2500, ChiSquare = 5.5922e-01 L65 CD1 = 25.6(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.1091e-01 L65 CD2 = 25.1(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.7425e-01 L65 H = 7.52(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.8151e-01 L65 HA = 4.13(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.8602e-01 L65 HB2 = 1.79(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.3793e-01 L65 HB3 = 1.79(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.4113e-01 L65 HG = 1.77(D), Expected = 1.54, Std = 0.3300, ChiSquare = 4.8582e-01 L65 HD1 = 1.15(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5931e-01 L65 HD2 = 1.02(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.5311e-01 L65 N = 119.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.7535e-01 G66 C = 173.6(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.2058e-01 G66 CA = 45.9(D), Expected = 45.33, Std = 1.4200, ChiSquare = 6.8812e-01 G66 H = 8.04(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.8518e-01 G66 HA2 = 4.01(D), Expected = 3.95, Std = 0.4000, ChiSquare = 8.8076e-01 G66 HA3 = 3.79(D), Expected = 3.93, Std = 0.4000, ChiSquare = 7.2634e-01 G66 N = 100.3(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.5085e-02 A67 C = 176.6(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.8200e-01 A67 CA = 52.0(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.7336e-01 A67 CB = 19.7(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.6543e-01 A67 H = 7.36(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6151e-01 A67 HA = 4.65(D), Expected = 4.26, Std = 0.4200, ChiSquare = 3.5311e-01 A67 HB = 1.61(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5757e-01 A67 N = 120.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.7720e-01 M68 C = 174.1(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.0167e-01 M68 CA = 56.3(D), Expected = 56.16, Std = 2.3400, ChiSquare = 9.5229e-01 M68 CB = 35.3(D), Expected = 32.90, Std = 2.2300, ChiSquare = 2.8182e-01 M68 CG = 32.1(D), Expected = 32.07, Std = 1.4500, ChiSquare = 9.8349e-01 M68 CE = 18.3(D), Expected = 17.21, Std = 3.4200, ChiSquare = 7.4994e-01 M68 H = 7.40(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.5176e-01 M68 HA = 4.60(D), Expected = 4.39, Std = 0.4600, ChiSquare = 6.4801e-01 M68 HB2 = 2.33(D), Expected = 2.03, Std = 0.3800, ChiSquare = 4.2984e-01 M68 HB3 = 1.74(D), Expected = 2.01, Std = 0.3600, ChiSquare = 4.5325e-01 M68 HG2 = 3.00(D), Expected = 2.44, Std = 0.3600, ChiSquare = 1.1981e-01 M68 HG3 = 2.43(D), Expected = 2.41, Std = 0.4000, ChiSquare = 9.6012e-01 M68 HE = 2.10(D), Expected = 1.86, Std = 0.4700, ChiSquare = 6.0960e-01 M68 N = 118.9(D), Expected = 120.10, Std = 3.8800, ChiSquare = 7.5711e-01 S69 C = 176.4(D), Expected = 174.53, Std = 1.7300, ChiSquare = 2.7973e-01 S69 CA = 59.6(D), Expected = 58.57, Std = 2.1200, ChiSquare = 6.2707e-01 S69 CB = 64.1(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.4846e-01 S69 H = 8.11(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.7157e-01 S69 HA = 4.82(D), Expected = 4.51, Std = 0.4300, ChiSquare = 4.7095e-01 S69 HB2 = 3.95(D), Expected = 3.88, Std = 0.2900, ChiSquare = 8.0926e-01 S69 HB3 = 3.88(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.7427e-01 S69 N = 115.9(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.1934e-01 E70 C = 175.5(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.9795e-01 E70 CA = 54.7(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.1423e-01 E70 CB = 36.6(S), Expected = 30.07, Std = 1.8400, ChiSquare = 3.8682e-04 E70 CG = 36.6(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.9600e-01 E70 H = 8.08(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.6994e-01 E70 HA = 5.95(S), Expected = 4.26, Std = 0.4300, ChiSquare = 8.4864e-05 E70 HB2 = 2.54(D), Expected = 2.04, Std = 0.2200, ChiSquare = 2.3043e-02 E70 HB3 = 2.42(D), Expected = 2.04, Std = 0.2300, ChiSquare = 9.8499e-02 E70 HG2 = 2.23(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.0324e-01 E70 HG3 = 2.23(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.0324e-01 E70 N = 115.3(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.4375e-01 I71 C = 177.4(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.1779e-01 I71 CA = 61.4(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.4551e-01 I71 CB = 40.7(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.1041e-01 I71 CG1 = 27.7(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.8281e-01 I71 CG2 = 19.1(D), Expected = 17.36, Std = 1.6000, ChiSquare = 2.7682e-01 I71 CD1 = 15.6(D), Expected = 13.41, Std = 1.9100, ChiSquare = 2.5155e-01 I71 H = 9.49(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.3203e-02 I71 HA = 5.31(D), Expected = 4.20, Std = 0.5600, ChiSquare = 4.7463e-02 I71 HB = 2.05(D), Expected = 1.80, Std = 0.3100, ChiSquare = 4.1998e-01 I71 HG2 = 1.15(D), Expected = 0.80, Std = 0.2900, ChiSquare = 2.2747e-01 I71 HG12 = 1.68(D), Expected = 1.30, Std = 0.4000, ChiSquare = 3.4211e-01 I71 HG13 = 1.32(D), Expected = 1.24, Std = 0.4000, ChiSquare = 8.4148e-01 I71 HD1 = 0.89(D), Expected = 0.70, Std = 0.3000, ChiSquare = 5.2652e-01 I71 N = 119.9(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.1872e-01 H72 C = 179.2(D), Expected = 175.19, Std = 2.1400, ChiSquare = 6.0954e-02 H72 CA = 55.2(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.2590e-01 H72 CB = 34.0(D), Expected = 29.95, Std = 2.1500, ChiSquare = 5.9603e-02 H72 H = 9.39(D), Expected = 8.25, Std = 0.7400, ChiSquare = 1.2343e-01 H72 HA = 5.95(D), Expected = 4.62, Std = 0.5100, ChiSquare = 9.1115e-03 H72 HB2 = 3.37(D), Expected = 3.12, Std = 0.4300, ChiSquare = 5.6097e-01 H72 HB3 = 3.14(D), Expected = 3.11, Std = 0.4500, ChiSquare = 9.4685e-01 H72 HD1 = 10.57(D), Expected = 10.14, Std = 3.5000, ChiSquare = 9.0222e-01 H72 HD2 = 7.00(D), Expected = 7.08, Std = 0.5000, ChiSquare = 8.7288e-01 H72 HE1 = 8.17(D), Expected = 8.08, Std = 0.5700, ChiSquare = 8.7454e-01 H72 N = 126.0(D), Expected = 119.44, Std = 4.5200, ChiSquare = 1.4669e-01 Y73 C = 174.5(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.3771e-01 Y73 CA = 57.7(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.0352e-01 Y73 CB = 35.8(D), Expected = 39.16, Std = 2.2300, ChiSquare = 1.3188e-01 Y73 H = 8.18(D), Expected = 8.37, Std = 0.7500, ChiSquare = 8.0001e-01 Y73 HA = 4.25(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.9741e-01 Y73 HB2 = 2.15(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.9970e-02 Y73 HB3 = 0.42(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.6998e-11 Y73 HD1 = 6.42(D), Expected = 6.87, Std = 0.6500, ChiSquare = 4.8874e-01 Y73 HD2 = 6.42(D), Expected = 6.86, Std = 0.6800, ChiSquare = 5.1759e-01 Y73 HE1 = 6.72(D), Expected = 6.64, Std = 0.5800, ChiSquare = 8.9030e-01 Y73 HE2 = 6.72(D), Expected = 6.63, Std = 0.6100, ChiSquare = 8.8271e-01 Y73 N = 126.0(D), Expected = 120.79, Std = 4.6900, ChiSquare = 2.6662e-01 K74 C = 171.2(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.0292e-02 K74 CA = 53.6(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.4987e-01 K74 CB = 34.2(D), Expected = 32.83, Std = 1.8800, ChiSquare = 4.6617e-01 K74 CG = 24.8(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.3308e-01 K74 CD = 29.1(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.1792e-01 K74 CE = 42.0(D), Expected = 41.78, Std = 0.9800, ChiSquare = 8.2238e-01 K74 H = 8.15(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.1291e-01 K74 HA = 4.73(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.1731e-01 K74 HB2 = 1.86(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.7948e-01 K74 HB3 = 1.32(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.6855e-02 K74 HG2 = 1.41(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.1153e-01 K74 HG3 = 1.41(D), Expected = 1.37, Std = 0.2900, ChiSquare = 8.9030e-01 K74 HD2 = 1.80(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.4725e-01 K74 HD3 = 1.80(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.4725e-01 K74 HE2 = 3.08(D), Expected = 2.93, Std = 0.2000, ChiSquare = 4.5325e-01 K74 HE3 = 3.08(D), Expected = 2.93, Std = 0.2000, ChiSquare = 4.5325e-01 K74 N = 130.1(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.9616e-02 P75 C = 177.1(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.1290e-01 P75 CA = 63.9(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.1447e-01 P75 CB = 32.9(D), Expected = 31.81, Std = 1.5400, ChiSquare = 4.7907e-01 P75 CG = 27.5(D), Expected = 27.14, Std = 1.1800, ChiSquare = 7.6030e-01 P75 CD = 49.6(D), Expected = 50.28, Std = 1.0400, ChiSquare = 5.1321e-01 P75 HA = 4.53(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.3888e-01 P75 HB2 = 2.15(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.9763e-01 P75 HB3 = 1.85(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.0808e-01 P75 HG2 = 1.81(D), Expected = 1.93, Std = 0.3600, ChiSquare = 7.3888e-01 P75 HG3 = 1.55(D), Expected = 1.92, Std = 0.3700, ChiSquare = 3.1731e-01 P75 HD2 = 3.11(D), Expected = 3.64, Std = 0.3600, ChiSquare = 1.4096e-01 P75 HD3 = 1.92(S), Expected = 3.63, Std = 0.4000, ChiSquare = 1.9114e-05 T76 C = 174.6(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.0000e+00 T76 CA = 59.3(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.9473e-01 T76 CB = 72.6(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.1653e-02 T76 CG2 = 22.1(D), Expected = 21.44, Std = 1.3900, ChiSquare = 6.3491e-01 T76 H = 8.17(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.7186e-01 T76 HA = 4.74(D), Expected = 4.48, Std = 0.5000, ChiSquare = 6.0306e-01 T76 HB = 4.67(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.7658e-01 T76 HG2 = 1.34(D), Expected = 1.16, Std = 0.2800, ChiSquare = 5.2032e-01 T76 N = 111.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 4.1686e-01 R77 C = 177.6(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.0733e-01 R77 CA = 58.5(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.2012e-01 R77 CB = 29.9(D), Expected = 30.66, Std = 1.7700, ChiSquare = 6.6765e-01 R77 CG = 26.9(D), Expected = 27.31, Std = 1.6500, ChiSquare = 8.0376e-01 R77 CD = 43.2(D), Expected = 43.10, Std = 1.1000, ChiSquare = 9.2757e-01 R77 H = 8.46(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.1387e-01 R77 HA = 4.11(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1613e-01 R77 HB2 = 1.88(D), Expected = 1.79, Std = 0.2800, ChiSquare = 7.4789e-01 R77 HB3 = 1.88(D), Expected = 1.78, Std = 0.2800, ChiSquare = 7.2098e-01 R77 HG2 = 1.73(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.7851e-01 R77 HG3 = 1.73(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.7851e-01 R77 HD2 = 3.31(D), Expected = 3.13, Std = 0.2300, ChiSquare = 4.3386e-01 R77 HD3 = 3.31(D), Expected = 3.13, Std = 0.2200, ChiSquare = 4.1325e-01 R77 N = 119.1(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.9862e-01 E78 C = 175.7(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.5993e-01 E78 CA = 58.2(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.2172e-01 E78 CB = 30.5(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.1522e-01 E78 CG = 36.9(D), Expected = 36.01, Std = 1.5100, ChiSquare = 5.5559e-01 E78 H = 7.88(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.5079e-01 E78 HA = 4.01(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.6097e-01 E78 HB2 = 1.75(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.8744e-01 E78 HB3 = 1.56(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.6892e-02 E78 HG2 = 2.02(D), Expected = 2.31, Std = 0.2100, ChiSquare = 1.6729e-01 E78 HG3 = 2.02(D), Expected = 2.31, Std = 0.2100, ChiSquare = 1.6729e-01 E78 N = 115.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.7597e-01 Y79 C = 176.0(D), Expected = 175.39, Std = 1.8900, ChiSquare = 7.4688e-01 Y79 CA = 56.0(D), Expected = 58.02, Std = 2.6400, ChiSquare = 4.4418e-01 Y79 CB = 39.9(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.4001e-01 Y79 H = 7.46(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.2500e-01 Y79 HA = 4.92(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.0456e-01 Y79 HB2 = 3.02(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6624e-01 Y79 HB3 = 2.96(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.9251e-01 Y79 HD1 = 7.16(D), Expected = 6.87, Std = 0.6500, ChiSquare = 6.5549e-01 Y79 HD2 = 7.16(D), Expected = 6.86, Std = 0.6800, ChiSquare = 6.5909e-01 Y79 HE1 = 6.88(D), Expected = 6.64, Std = 0.5800, ChiSquare = 6.7903e-01 Y79 HE2 = 6.88(D), Expected = 6.63, Std = 0.6100, ChiSquare = 6.8193e-01 Y79 N = 118.4(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.1034e-01 E80 C = 175.3(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.3981e-01 E80 CA = 58.5(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.2191e-01 E80 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E80 CG = 36.0(D), Expected = 36.01, Std = 1.5100, ChiSquare = 9.9472e-01 E80 H = 9.08(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.2509e-01 E80 HA = 4.40(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.4474e-01 E80 HB2 = 2.25(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.3981e-01 E80 HB3 = 2.13(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.9557e-01 E80 HG2 = 2.41(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E80 HG3 = 2.41(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E80 N = 124.5(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.9925e-01 D81 C = 175.1(D), Expected = 176.41, Std = 1.7700, ChiSquare = 4.5923e-01 D81 CA = 52.3(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.9045e-01 D81 CB = 40.7(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.0000e+00 D81 H = 8.70(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.1626e-01 D81 HA = 4.85(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.3882e-01 D81 HB2 = 3.12(D), Expected = 2.74, Std = 0.2900, ChiSquare = 1.9008e-01 D81 HB3 = 2.78(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.8265e-01 D81 N = 117.9(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.0043e-01 R82 C = 174.1(D), Expected = 176.49, Std = 2.1600, ChiSquare = 2.6852e-01 R82 CA = 57.4(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.5188e-01 R82 CB = 31.0(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.4767e-01 R82 CG = 28.0(D), Expected = 27.31, Std = 1.6500, ChiSquare = 6.7581e-01 R82 CD = 43.7(D), Expected = 43.10, Std = 1.1000, ChiSquare = 5.8544e-01 R82 H = 6.78(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.4961e-02 R82 HA = 4.57(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9535e-01 R82 HB2 = 2.15(D), Expected = 1.79, Std = 0.2800, ChiSquare = 1.9854e-01 R82 HB3 = 1.89(D), Expected = 1.78, Std = 0.2800, ChiSquare = 6.9442e-01 R82 HG2 = 1.76(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.0499e-01 R82 HG3 = 1.49(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.3888e-01 R82 HD2 = 3.19(D), Expected = 3.13, Std = 0.2300, ChiSquare = 7.9419e-01 R82 HD3 = 3.19(D), Expected = 3.13, Std = 0.2200, ChiSquare = 7.8506e-01 R82 N = 119.7(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.1550e-01 V83 C = 174.0(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.0512e-01 V83 CA = 57.9(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3192e-01 V83 CB = 35.8(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.0018e-01 V83 CG1 = 23.7(D), Expected = 21.38, Std = 1.5300, ChiSquare = 1.2943e-01 V83 CG2 = 19.6(D), Expected = 21.31, Std = 1.7600, ChiSquare = 3.3125e-01 V83 H = 8.51(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.5667e-01 V83 HA = 5.25(D), Expected = 4.16, Std = 0.5700, ChiSquare = 5.5840e-02 V83 HB = 2.14(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.4944e-01 V83 HG1 = 1.13(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.8279e-01 V83 HG2 = 0.88(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6311e-01 V83 N = 117.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.4120e-01 I84 C = 174.8(D), Expected = 175.82, Std = 1.9500, ChiSquare = 6.0092e-01 I84 CA = 59.6(D), Expected = 61.59, Std = 2.7800, ChiSquare = 4.7410e-01 I84 CB = 40.2(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.3827e-01 I84 CG1 = 27.5(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.4845e-01 I84 CG2 = 17.2(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.2034e-01 I84 CD1 = 11.9(D), Expected = 13.41, Std = 1.9100, ChiSquare = 4.2919e-01 I84 H = 8.76(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.8129e-01 I84 HA = 4.78(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.0034e-01 I84 HB = 1.71(D), Expected = 1.80, Std = 0.3100, ChiSquare = 7.7157e-01 I84 HG2 = 0.44(D), Expected = 0.80, Std = 0.2900, ChiSquare = 2.1447e-01 I84 HG12 = 1.45(D), Expected = 1.30, Std = 0.4000, ChiSquare = 7.0766e-01 I84 HG13 = 1.34(D), Expected = 1.24, Std = 0.4000, ChiSquare = 8.0259e-01 I84 HD1 = 0.85(D), Expected = 0.70, Std = 0.3000, ChiSquare = 6.1707e-01 I84 N = 120.5(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.1572e-01 V85 C = 174.3(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.9352e-01 V85 CA = 60.7(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.5819e-01 V85 CB = 33.8(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.5060e-01 V85 CG1 = 22.9(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.2048e-01 V85 CG2 = 22.4(D), Expected = 21.31, Std = 1.7600, ChiSquare = 5.3571e-01 V85 H = 9.39(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.2131e-01 V85 HA = 4.85(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.2608e-01 V85 HB = 2.22(D), Expected = 1.99, Std = 0.3300, ChiSquare = 4.8582e-01 V85 HG1 = 1.21(D), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7057e-01 V85 HG2 = 1.08(D), Expected = 0.83, Std = 0.2900, ChiSquare = 3.8865e-01 V85 N = 127.7(D), Expected = 121.02, Std = 4.9600, ChiSquare = 1.7805e-01 Y86 C = 176.2(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.6823e-01 Y86 CA = 56.9(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.7139e-01 Y86 CB = 38.4(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.3325e-01 Y86 H = 9.25(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.4066e-01 Y86 HA = 4.94(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.7987e-01 Y86 HB2 = 2.91(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.0000e+00 Y86 HB3 = 3.18(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.6556e-01 Y86 HD1 = 7.00(D), Expected = 6.87, Std = 0.6500, ChiSquare = 8.4148e-01 Y86 HD2 = 7.00(D), Expected = 6.86, Std = 0.6800, ChiSquare = 8.3688e-01 Y86 HE1 = 6.24(D), Expected = 6.64, Std = 0.5800, ChiSquare = 4.9041e-01 Y86 HE2 = 6.24(D), Expected = 6.63, Std = 0.6100, ChiSquare = 5.2260e-01 Y86 N = 125.4(D), Expected = 120.79, Std = 4.6900, ChiSquare = 3.2564e-01 M87 C = 179.0(D), Expected = 176.30, Std = 2.1300, ChiSquare = 2.0494e-01 M87 CA = 53.6(D), Expected = 56.16, Std = 2.3400, ChiSquare = 2.7395e-01 M87 CB = 32.6(D), Expected = 32.90, Std = 2.2300, ChiSquare = 8.9298e-01 M87 CG = 31.8(D), Expected = 32.07, Std = 1.4500, ChiSquare = 8.5228e-01 M87 CE = 16.2(D), Expected = 17.21, Std = 3.4200, ChiSquare = 7.6775e-01 M87 H = 8.86(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.1731e-01 M87 HA = 5.12(D), Expected = 4.39, Std = 0.4600, ChiSquare = 1.1252e-01 M87 HB2 = 2.55(D), Expected = 2.03, Std = 0.3800, ChiSquare = 1.7118e-01 M87 HB3 = 2.40(D), Expected = 2.01, Std = 0.3600, ChiSquare = 2.7866e-01 M87 HG2 = 2.94(D), Expected = 2.44, Std = 0.3600, ChiSquare = 1.6487e-01 M87 HG3 = 2.42(D), Expected = 2.41, Std = 0.4000, ChiSquare = 9.8006e-01 M87 HE = 1.60(D), Expected = 1.86, Std = 0.4700, ChiSquare = 5.8013e-01 M87 N = 122.2(D), Expected = 120.10, Std = 3.8800, ChiSquare = 5.8834e-01 N88 C = 176.0(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.3317e-01 N88 CA = 56.0(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.8526e-01 N88 CB = 37.7(D), Expected = 38.66, Std = 1.7800, ChiSquare = 5.8966e-01 N88 CG = 175.4(D), Expected = 176.61, Std = 1.3300, ChiSquare = 3.6294e-01 N88 H = 9.03(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.0992e-01 N88 HA = 4.54(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.8162e-01 N88 HB2 = 2.99(D), Expected = 2.80, Std = 0.3400, ChiSquare = 5.7628e-01 N88 HB3 = 2.88(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.6867e-01 N88 HD21 = 7.44(D), Expected = 7.27, Std = 0.5200, ChiSquare = 7.4373e-01 N88 HD22 = 6.90(D), Expected = 7.20, Std = 0.5200, ChiSquare = 5.6399e-01 N88 N = 121.2(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.3955e-01 N88 ND2 = 111.1(D), Expected = 112.83, Std = 2.6000, ChiSquare = 5.0580e-01 D89 C = 177.1(D), Expected = 176.41, Std = 1.7700, ChiSquare = 6.9666e-01 D89 CA = 53.7(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.9618e-01 D89 CB = 40.4(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.5743e-01 D89 H = 8.19(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.0598e-01 D89 HA = 4.67(D), Expected = 4.61, Std = 0.3100, ChiSquare = 8.4653e-01 D89 HB2 = 2.80(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.3609e-01 D89 HB3 = 3.08(D), Expected = 2.70, Std = 0.2900, ChiSquare = 1.9008e-01 D89 N = 116.9(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.6182e-01 G90 C = 174.2(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.3427e-01 G90 CA = 45.3(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.8314e-01 G90 H = 8.08(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.2532e-01 G90 HA2 = 4.40(D), Expected = 3.95, Std = 0.4000, ChiSquare = 2.6059e-01 G90 HA3 = 3.81(D), Expected = 3.93, Std = 0.4000, ChiSquare = 7.6418e-01 G90 N = 107.0(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.9757e-01 Y91 C = 173.8(D), Expected = 175.39, Std = 1.8900, ChiSquare = 4.0020e-01 Y91 CA = 58.6(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.2611e-01 Y91 CB = 39.6(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.4359e-01 Y91 H = 7.81(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.5527e-01 Y91 HA = 4.62(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.8575e-01 Y91 HB2 = 3.28(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.1731e-01 Y91 HB3 = 2.96(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.9251e-01 Y91 HD1 = 7.14(D), Expected = 6.87, Std = 0.6500, ChiSquare = 6.7786e-01 Y91 HD2 = 7.14(D), Expected = 6.86, Std = 0.6800, ChiSquare = 6.8051e-01 Y91 HE1 = 6.85(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.1730e-01 Y91 HE2 = 6.85(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.1836e-01 Y91 N = 120.7(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.8469e-01 E92 C = 175.3(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.3981e-01 E92 CA = 54.2(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.4147e-01 E92 CB = 32.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 1.6913e-01 E92 CG = 35.8(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.8939e-01 E92 H = 7.90(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.7072e-01 E92 HA = 5.28(D), Expected = 4.26, Std = 0.4300, ChiSquare = 1.7688e-02 E92 HB2 = 1.73(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.5881e-01 E92 HB3 = 1.73(D), Expected = 2.04, Std = 0.2300, ChiSquare = 1.7771e-01 E92 HG2 = 1.90(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.0893e-02 E92 HG3 = 1.83(D), Expected = 2.31, Std = 0.2100, ChiSquare = 2.2271e-02 E92 N = 123.0(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.2841e-01 V93 C = 174.2(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.6295e-01 V93 CA = 60.8(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.8052e-01 V93 CB = 35.6(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.2374e-01 V93 CG1 = 21.0(D), Expected = 21.38, Std = 1.5300, ChiSquare = 8.0385e-01 V93 CG2 = 21.0(D), Expected = 21.31, Std = 1.7600, ChiSquare = 8.6019e-01 V93 H = 9.02(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.0387e-01 V93 HA = 4.32(D), Expected = 4.16, Std = 0.5700, ChiSquare = 7.7894e-01 V93 HB = 1.83(D), Expected = 1.99, Std = 0.3300, ChiSquare = 6.2778e-01 V93 HG1 = 0.78(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.2414e-01 V93 HG2 = 0.78(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6311e-01 V93 N = 123.0(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.8975e-01 S94 C = 173.4(D), Expected = 174.53, Std = 1.7300, ChiSquare = 5.1364e-01 S94 CA = 57.2(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.1813e-01 S94 CB = 64.4(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.0234e-01 S94 H = 8.63(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.8343e-01 S94 HA = 5.21(D), Expected = 4.51, Std = 0.4300, ChiSquare = 1.0354e-01 S94 HB2 = 3.84(D), Expected = 3.88, Std = 0.2900, ChiSquare = 8.9030e-01 S94 HB3 = 3.84(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.2291e-01 S94 N = 121.8(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.6380e-01 A95 C = 175.5(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.9140e-01 A95 CA = 50.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.7260e-01 A95 CB = 22.4(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.8506e-02 A95 H = 9.18(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0240e-01 A95 HA = 4.86(D), Expected = 4.26, Std = 0.4200, ChiSquare = 1.5313e-01 A95 HB = 1.39(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.6809e-01 A95 N = 127.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.9559e-01 T96 C = 174.9(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.6763e-01 T96 CA = 59.4(D), Expected = 62.15, Std = 2.7200, ChiSquare = 3.1200e-01 T96 CB = 71.4(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.0053e-01 T96 CG2 = 22.4(D), Expected = 21.44, Std = 1.3900, ChiSquare = 4.8979e-01 T96 H = 7.78(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.2934e-01 T96 HA = 5.24(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.2851e-01 T96 HB = 4.72(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.3715e-01 T96 HG2 = 1.13(D), Expected = 1.16, Std = 0.2800, ChiSquare = 9.1468e-01 T96 N = 110.0(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.5902e-01 I97 C = 178.1(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.4231e-01 I97 CA = 67.4(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.6624e-02 I97 CB = 38.3(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.9343e-01 I97 CG1 = 29.7(D), Expected = 27.65, Std = 2.3200, ChiSquare = 3.7690e-01 I97 CG2 = 17.2(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.2034e-01 I97 CD1 = 14.3(D), Expected = 13.41, Std = 1.9100, ChiSquare = 6.4124e-01 I97 H = 8.41(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.3268e-01 I97 HA = 3.72(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.9137e-01 I97 HB = 2.18(D), Expected = 1.80, Std = 0.3100, ChiSquare = 2.2027e-01 I97 HG2 = 1.00(D), Expected = 0.80, Std = 0.2900, ChiSquare = 4.9041e-01 I97 HG12 = 1.40(D), Expected = 1.30, Std = 0.4000, ChiSquare = 8.0259e-01 I97 HG13 = 1.40(D), Expected = 1.24, Std = 0.4000, ChiSquare = 6.8916e-01 I97 HD1 = 1.13(D), Expected = 0.70, Std = 0.3000, ChiSquare = 1.5176e-01 I97 N = 120.1(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.5064e-01 R98 C = 177.2(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.4238e-01 R98 CA = 58.5(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.2012e-01 R98 CB = 30.2(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.9495e-01 R98 CG = 27.5(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.0833e-01 R98 CD = 43.4(D), Expected = 43.10, Std = 1.1000, ChiSquare = 7.8506e-01 R98 H = 8.10(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.1550e-01 R98 HA = 4.18(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3793e-01 R98 HB2 = 1.98(D), Expected = 1.79, Std = 0.2800, ChiSquare = 4.9741e-01 R98 HB3 = 1.98(D), Expected = 1.78, Std = 0.2800, ChiSquare = 4.7505e-01 R98 HG2 = 1.86(D), Expected = 1.58, Std = 0.2700, ChiSquare = 2.9972e-01 R98 HG3 = 1.86(D), Expected = 1.58, Std = 0.2700, ChiSquare = 2.9972e-01 R98 HD2 = 3.35(D), Expected = 3.13, Std = 0.2300, ChiSquare = 3.3881e-01 R98 HD3 = 3.35(D), Expected = 3.13, Std = 0.2200, ChiSquare = 3.1731e-01 R98 N = 114.7(D), Expected = 120.61, Std = 3.9000, ChiSquare = 1.2967e-01 Q99 C = 175.9(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.0259e-01 Q99 CA = 55.2(D), Expected = 56.62, Std = 2.1900, ChiSquare = 5.1673e-01 Q99 CB = 28.8(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.7896e-01 Q99 CG = 35.0(D), Expected = 33.72, Std = 1.1000, ChiSquare = 2.4457e-01 Q99 CD = 180.7(D), Expected = 179.68, Std = 1.1700, ChiSquare = 3.8332e-01 Q99 HA = 4.90(D), Expected = 4.28, Std = 0.4400, ChiSquare = 1.5881e-01 Q99 HB2 = 2.51(D), Expected = 2.05, Std = 0.2800, ChiSquare = 1.0041e-01 Q99 HB3 = 2.00(D), Expected = 2.04, Std = 0.2900, ChiSquare = 8.9030e-01 Q99 HG2 = 2.57(D), Expected = 2.32, Std = 0.2900, ChiSquare = 3.8865e-01 Q99 HG3 = 2.32(D), Expected = 2.32, Std = 0.2900, ChiSquare = 1.0000e+00 Q99 HE21 = 7.71(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.4043e-01 Q99 HE22 = 6.92(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.5951e-01 Q99 NE2 = 112.4(D), Expected = 111.81, Std = 2.2000, ChiSquare = 7.8856e-01 F100 C = 176.7(D), Expected = 175.49, Std = 2.1300, ChiSquare = 5.6998e-01 F100 CA = 64.1(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.2125e-02 F100 CB = 39.7(D), Expected = 39.95, Std = 2.0400, ChiSquare = 9.0246e-01 F100 H = 7.71(D), Expected = 8.42, Std = 0.7400, ChiSquare = 3.3733e-01 F100 HA = 3.98(D), Expected = 4.62, Std = 0.5800, ChiSquare = 2.6983e-01 F100 HB2 = 3.01(D), Expected = 2.99, Std = 0.3700, ChiSquare = 9.5689e-01 F100 HB3 = 3.01(D), Expected = 2.97, Std = 0.3800, ChiSquare = 9.1617e-01 F100 HD1 = 7.04(D), Expected = 6.91, Std = 0.8200, ChiSquare = 8.7403e-01 F100 HD2 = 7.04(D), Expected = 6.89, Std = 0.8600, ChiSquare = 8.6154e-01 F100 HE1 = 7.02(D), Expected = 6.95, Std = 0.8200, ChiSquare = 9.3197e-01 F100 HE2 = 7.02(D), Expected = 6.94, Std = 0.8600, ChiSquare = 9.2589e-01 F100 HZ = 7.20(D), Expected = 6.92, Std = 0.8000, ChiSquare = 7.2634e-01 F100 N = 123.0(D), Expected = 120.69, Std = 4.1800, ChiSquare = 5.8052e-01 A101 C = 180.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.3300e-01 A101 CA = 55.6(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.3623e-01 A101 CB = 17.6(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.8224e-01 A101 H = 9.25(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0118e-02 A101 HA = 4.03(D), Expected = 4.26, Std = 0.4200, ChiSquare = 5.8395e-01 A101 HB = 1.64(D), Expected = 1.38, Std = 0.2500, ChiSquare = 2.9834e-01 A101 N = 119.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.1340e-01 D102 C = 178.6(D), Expected = 176.41, Std = 1.7700, ChiSquare = 2.1598e-01 D102 CA = 57.5(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.5588e-01 D102 CB = 41.6(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8994e-01 D102 H = 8.54(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.1256e-01 D102 HA = 4.36(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.1998e-01 D102 HB2 = 2.77(D), Expected = 2.74, Std = 0.2900, ChiSquare = 9.1761e-01 D102 HB3 = 2.74(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.9030e-01 D102 N = 119.5(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.6963e-01 K103 C = 179.3(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.6594e-01 K103 CA = 58.7(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.0843e-01 K103 CB = 32.3(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.7801e-01 K103 CG = 25.9(D), Expected = 24.91, Std = 1.3100, ChiSquare = 4.4981e-01 K103 CD = 29.1(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.1792e-01 K103 CE = 42.6(D), Expected = 41.78, Std = 0.9800, ChiSquare = 4.0274e-01 K103 H = 8.21(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.8753e-01 K103 HA = 4.20(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.5890e-01 K103 HB2 = 2.01(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.7886e-01 K103 HB3 = 1.84(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.1749e-01 K103 HG2 = 1.62(D), Expected = 1.38, Std = 0.2700, ChiSquare = 3.7406e-01 K103 HG3 = 1.52(D), Expected = 1.37, Std = 0.2900, ChiSquare = 6.0499e-01 K103 HD2 = 1.82(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.0091e-01 K103 HD3 = 1.82(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.0091e-01 K103 HE2 = 3.08(D), Expected = 2.93, Std = 0.2000, ChiSquare = 4.5325e-01 K103 HE3 = 3.08(D), Expected = 2.93, Std = 0.2000, ChiSquare = 4.5325e-01 K103 N = 118.3(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.8651e-01 L104 C = 178.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.0781e-01 L104 CA = 55.0(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.6867e-01 L104 CB = 39.4(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.1032e-01 L104 CG = 28.3(D), Expected = 26.77, Std = 1.2500, ChiSquare = 2.2095e-01 L104 CD1 = 24.0(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.6945e-01 L104 CD2 = 22.4(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.3955e-01 L104 H = 8.43(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.4664e-01 L104 HA = 4.20(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9848e-01 L104 HB2 = 1.52(D), Expected = 1.63, Std = 0.3400, ChiSquare = 7.4629e-01 L104 HB3 = 1.39(D), Expected = 1.57, Std = 0.3600, ChiSquare = 6.1707e-01 L104 HG = 1.43(D), Expected = 1.54, Std = 0.3300, ChiSquare = 7.3888e-01 L104 HD1 = 0.59(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0499e-01 L104 HD2 = 0.27(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.0118e-02 L104 N = 121.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.4802e-01 S105 C = 174.5(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.8616e-01 S105 CA = 61.7(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.3983e-01 S105 CB = 63.1(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.5570e-01 S105 H = 8.05(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.9868e-01 S105 HA = 4.09(D), Expected = 4.51, Std = 0.4300, ChiSquare = 3.2870e-01 S105 HB2 = 3.97(D), Expected = 3.88, Std = 0.2900, ChiSquare = 7.5630e-01 S105 HB3 = 3.92(D), Expected = 3.87, Std = 0.3100, ChiSquare = 8.7186e-01 S105 N = 112.2(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.9928e-01 H106 C = 174.2(D), Expected = 175.19, Std = 2.1400, ChiSquare = 6.4364e-01 H106 CA = 55.5(D), Expected = 56.37, Std = 2.4000, ChiSquare = 7.1698e-01 H106 CB = 28.8(D), Expected = 29.95, Std = 2.1500, ChiSquare = 5.9273e-01 H106 H = 7.41(D), Expected = 8.25, Std = 0.7400, ChiSquare = 2.5632e-01 H106 HA = 4.78(D), Expected = 4.62, Std = 0.5100, ChiSquare = 7.5373e-01 H106 HB2 = 3.57(D), Expected = 3.12, Std = 0.4300, ChiSquare = 2.9532e-01 H106 HB3 = 3.13(D), Expected = 3.11, Std = 0.4500, ChiSquare = 9.6455e-01 H106 HD2 = 7.50(D), Expected = 7.08, Std = 0.5000, ChiSquare = 4.0091e-01 H106 N = 115.9(D), Expected = 119.44, Std = 4.5200, ChiSquare = 4.3352e-01 Y107 C = 175.0(D), Expected = 175.39, Std = 1.8900, ChiSquare = 8.3652e-01 Y107 CA = 58.2(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.4564e-01 Y107 CB = 38.5(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.6726e-01 Y107 H = 7.72(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.8612e-01 Y107 HA = 4.75(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.3032e-01 Y107 HB2 = 3.32(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.6782e-01 Y107 HB3 = 3.13(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.5211e-01 Y107 HD1 = 7.13(D), Expected = 6.87, Std = 0.6500, ChiSquare = 6.8916e-01 Y107 HD2 = 7.13(D), Expected = 6.86, Std = 0.6800, ChiSquare = 6.9132e-01 Y107 HE1 = 6.81(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.6944e-01 Y107 HE2 = 6.81(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.6793e-01 Y107 N = 124.3(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.5422e-01 P108 C = 177.2(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.6734e-01 P108 CA = 65.5(D), Expected = 63.30, Std = 1.6400, ChiSquare = 1.7977e-01 P108 CB = 31.3(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.4052e-01 P108 CG = 27.7(D), Expected = 27.14, Std = 1.1800, ChiSquare = 6.3509e-01 P108 CD = 50.7(D), Expected = 50.28, Std = 1.0400, ChiSquare = 6.8633e-01 P108 HA = 4.41(D), Expected = 4.41, Std = 0.3600, ChiSquare = 1.0000e+00 P108 HB2 = 2.29(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.3830e-01 P108 HB3 = 1.96(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.1749e-01 P108 HG2 = 1.95(D), Expected = 1.93, Std = 0.3600, ChiSquare = 9.5570e-01 P108 HG3 = 1.95(D), Expected = 1.92, Std = 0.3700, ChiSquare = 9.3538e-01 P108 HD2 = 3.91(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.5325e-01 P108 HD3 = 3.15(D), Expected = 3.63, Std = 0.4000, ChiSquare = 2.3014e-01 A109 C = 178.8(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.4644e-01 A109 CA = 53.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.1943e-01 A109 CB = 19.1(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.1391e-01 A109 H = 7.45(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1130e-01 A109 HA = 4.26(D), Expected = 4.26, Std = 0.4200, ChiSquare = 1.0000e+00 A109 HB = 1.42(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.7288e-01 A109 N = 120.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.9758e-01 I110 C = 176.7(D), Expected = 175.82, Std = 1.9500, ChiSquare = 6.5179e-01 I110 CA = 62.0(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.8275e-01 I110 CB = 38.3(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.9343e-01 I110 CG1 = 28.0(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.8008e-01 I110 CG2 = 17.8(D), Expected = 17.36, Std = 1.6000, ChiSquare = 7.8332e-01 I110 CD1 = 13.2(D), Expected = 13.41, Std = 1.9100, ChiSquare = 9.1245e-01 I110 H = 7.71(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.3855e-01 I110 HA = 4.09(D), Expected = 4.20, Std = 0.5600, ChiSquare = 8.4427e-01 I110 HB = 2.13(D), Expected = 1.80, Std = 0.3100, ChiSquare = 2.8709e-01 I110 HG2 = 0.95(D), Expected = 0.80, Std = 0.2900, ChiSquare = 6.0499e-01 I110 HG12 = 1.66(D), Expected = 1.30, Std = 0.4000, ChiSquare = 3.6812e-01 I110 HG13 = 1.32(D), Expected = 1.24, Std = 0.4000, ChiSquare = 8.4148e-01 I110 HD1 = 0.96(D), Expected = 0.70, Std = 0.3000, ChiSquare = 3.8612e-01 I110 N = 118.0(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.4564e-01 A111 C = 178.8(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.4644e-01 A111 CA = 54.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.1366e-01 A111 CB = 18.6(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.7118e-01 A111 H = 8.19(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8670e-01 A111 HA = 4.11(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.2098e-01 A111 HB = 1.39(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.6809e-01 A111 N = 124.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.7133e-01 A112 C = 177.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.5442e-01 A112 CA = 53.6(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.3087e-01 A112 CB = 18.6(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.7118e-01 A112 H = 7.99(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2634e-01 A112 HA = 4.31(D), Expected = 4.26, Std = 0.4200, ChiSquare = 9.0524e-01 A112 HB = 1.47(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.1885e-01 A112 N = 120.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.9758e-01 A113 C = 178.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8314e-01 A113 CA = 53.1(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.7676e-01 A113 CB = 18.7(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.1391e-01 A113 H = 7.77(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7358e-01 A113 HA = 4.32(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.8640e-01 A113 HB = 1.49(D), Expected = 1.38, Std = 0.2500, ChiSquare = 6.5994e-01 A113 N = 121.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.8325e-01 L114 C = 177.5(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.9981e-01 L114 CA = 55.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4589e-01 L114 CB = 42.3(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6998e-01 L114 CG = 26.9(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.1717e-01 L114 CD1 = 25.3(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.3888e-01 L114 CD2 = 23.4(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.9413e-01 L114 H = 7.93(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.5549e-01 L114 HA = 4.31(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.8303e-01 L114 HB2 = 1.82(D), Expected = 1.63, Std = 0.3400, ChiSquare = 5.7628e-01 L114 HB3 = 1.67(D), Expected = 1.57, Std = 0.3600, ChiSquare = 7.8118e-01 L114 HG = 1.81(D), Expected = 1.54, Std = 0.3300, ChiSquare = 4.1325e-01 L114 HD1 = 0.96(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.8162e-01 L114 HD2 = 0.95(D), Expected = 0.76, Std = 0.2800, ChiSquare = 4.9741e-01 L114 N = 119.5(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.4230e-01 D115 C = 176.3(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.5045e-01 D115 CA = 54.7(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.3169e-01 D115 CB = 41.1(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.1070e-01 D115 H = 8.10(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.8657e-01 D115 HA = 4.65(D), Expected = 4.61, Std = 0.3100, ChiSquare = 8.9733e-01 D115 HB2 = 2.82(D), Expected = 2.74, Std = 0.2900, ChiSquare = 7.8265e-01 D115 HB3 = 2.72(D), Expected = 2.70, Std = 0.2900, ChiSquare = 9.4502e-01 D115 N = 120.1(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.8076e-01 R116 C = 176.0(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.2054e-01 R116 CA = 56.2(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.5565e-01 R116 CB = 30.7(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.8197e-01 R116 CG = 27.2(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.4685e-01 R116 CD = 43.4(D), Expected = 43.10, Std = 1.1000, ChiSquare = 7.8506e-01 R116 H = 8.12(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.4148e-01 R116 HA = 4.39(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8506e-01 R116 HB2 = 1.98(D), Expected = 1.79, Std = 0.2800, ChiSquare = 4.9741e-01 R116 HB3 = 1.86(D), Expected = 1.78, Std = 0.2800, ChiSquare = 7.7510e-01 R116 HG2 = 1.74(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.5345e-01 R116 HG3 = 1.74(D), Expected = 1.58, Std = 0.2700, ChiSquare = 5.5345e-01 R116 HD2 = 3.27(D), Expected = 3.13, Std = 0.2300, ChiSquare = 5.4273e-01 R116 HD3 = 3.27(D), Expected = 3.13, Std = 0.2200, ChiSquare = 5.2454e-01 R116 N = 120.6(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.9795e-01 N117 C = 174.9(D), Expected = 175.16, Std = 1.7600, ChiSquare = 8.8256e-01 N117 CA = 53.6(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.3017e-01 N117 CB = 39.1(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.0476e-01 N117 CG = 175.5(D), Expected = 176.61, Std = 1.3300, ChiSquare = 4.0395e-01 N117 H = 8.49(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.5353e-01 N117 HA = 4.39(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.2669e-01 N117 HB2 = 2.94(D), Expected = 2.80, Std = 0.3400, ChiSquare = 6.8051e-01 N117 HB3 = 2.84(D), Expected = 2.78, Std = 0.3400, ChiSquare = 8.5992e-01 N117 HD21 = 7.73(D), Expected = 7.27, Std = 0.5200, ChiSquare = 3.7636e-01 N117 HD22 = 6.97(D), Expected = 7.20, Std = 0.5200, ChiSquare = 6.5827e-01 N117 N = 119.6(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.1532e-01 N117 ND2 = 113.5(D), Expected = 112.83, Std = 2.6000, ChiSquare = 7.9664e-01 V118 C = 175.1(D), Expected = 175.69, Std = 2.0300, ChiSquare = 7.7133e-01 V118 CA = 62.6(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.6851e-01 V118 CB = 32.8(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.4157e-01 V118 CG1 = 21.2(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.0635e-01 V118 CG2 = 21.2(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.5016e-01 V118 H = 7.98(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.6239e-01 V118 HA = 4.20(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.4405e-01 V118 HB = 2.19(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.4447e-01 V118 HG1 = 1.03(D), Expected = 0.84, Std = 0.2700, ChiSquare = 4.8162e-01 V118 HG2 = 1.03(D), Expected = 0.83, Std = 0.2900, ChiSquare = 4.9041e-01 V118 N = 120.1(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.5285e-01 K119 C = 181.1(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.3610e-02 K119 CA = 57.7(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.0230e-01 K119 CB = 34.0(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.3372e-01 K119 CD = 29.1(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.1792e-01 K119 H = 7.87(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.8446e-01 K119 HA = 4.18(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.2414e-01 K119 HB2 = 1.89(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.8916e-01 K119 HB3 = 1.78(D), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0000e+00 K119 HG2 = 1.47(D), Expected = 1.38, Std = 0.2700, ChiSquare = 7.3888e-01 K119 HG3 = 1.47(D), Expected = 1.37, Std = 0.2900, ChiSquare = 7.3022e-01 K119 HD2 = 1.83(D), Expected = 1.61, Std = 0.2500, ChiSquare = 3.7886e-01 K119 HD3 = 1.83(D), Expected = 1.61, Std = 0.2500, ChiSquare = 3.7886e-01 K119 HE2 = 2.91(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.2034e-01 K119 HE3 = 2.91(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.2034e-01 K119 N = 129.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.3460e-02