M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> M 0.49 Q 0.28 K 0.11 E 0.09 R 0.01 C Shift Assignments>> C :: 174.55 CA :: 55.99(D) CB :: 33.15(D) CG :: 31.62(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>> HA :: 4.11(D) HB2 :: 2.04 HB3 :: 2.05(D) HG3 :: 2.43 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) I2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 61.60(D) CB :: 40.09(D) CG1 :: 27.15(D) CG2 :: 17.60(D) CD1 :: 11.78 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>> HA :: 4.24 HB :: 1.63 HG2 :: 0.65 HG12 :: 0.81 HG13 :: 1.07 HD1 :: 0.44 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) S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.85 T 0.14 HN Overlap>> L54 Y122 C Shift Assignments>> C :: 173.12 CA :: 57.14(D) CB :: 66.46(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.14(D) HA :: 4.23 HB2 :: 3.63 HB3 :: 3.67 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.60(D) Ave N Shift Values>> N :: 116.3(3.95) G4 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>> CA :: 46.92(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.61(D) HA2 :: 4.21 HA3 :: 3.31 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.17(D) Ave N Shift Values>> N :: 109.91(4.29) I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.42 CA :: 60.01(D) CB :: 39.29(D) CG1 :: 26.18 CG2 :: 16.83(D) CD1 :: 13.74 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 :: 9.50(D) HA :: 4.11 HB :: 1.52 HG2 :: 0.62 HG13 :: 1.11 HD1 :: 0.90 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 :: 130.61(D) Ave N Shift Values>> N :: 121.6(4.72) L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.95 R 0.02 A 0.02 C Shift Assignments>> C :: 175.20 CA :: 55.85(D) CB :: 40.95(D) CG :: 25.95(D) CD1 :: 23.55 CD2 :: 25.92(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 :: 8.71(D) HA :: 4.04 HB2 :: 1.41 HB3 :: 1.72 HG :: 1.56 HD1 :: 0.67 HD2 :: 0.80 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 :: 127.83(D) Ave N Shift Values>> N :: 121.98(4.07) A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.41 M 0.27 L 0.26 K 0.01 V 0.01 C Shift Assignments>> C :: 176.88 CA :: 53.50(D) CB :: 21.57(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.94(D) HA :: 4.25 HB :: 1.25 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.30(D) Ave N Shift Values>> N :: 123.23(3.7) S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 P 0.02 C Shift Assignments>> CA :: 53.89 CB :: 64.69(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.57(D) HA :: 4.84 HB2 :: 3.58 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 :: 110.95(D) Ave N Shift Values>> N :: 116.3(3.95) P9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 I 0.14 V 0.05 K 0.03 R 0.02 Q 0.01 C Shift Assignments>> C :: 176.17 CA :: 63.24(D) CB :: 33.76(D) CG :: 26.30 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 :: 4.96 HB2 :: 2.37 HB3 :: 1.93 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) G10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.3 R 0.29 L 0.28 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.08(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.33(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.09(D) Ave N Shift Values>> N :: 109.91(4.29) I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 174.24 CA :: 59.85(D) CB :: 41.56(D) CG1 :: 28.87(D) CG2 :: 17.68(D) CD1 :: 14.62(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 :: 8.52(D) HA :: 5.38 HB :: 1.67 HG2 :: 0.66 HG13 :: 1.03 HD1 :: 0.77 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 :: 117.64(D) Ave N Shift Values>> N :: 121.6(4.72) A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 P 0.2 K 0.11 A 0.07 M 0.05 R 0.02 C Shift Assignments>> CA :: 50.52(D) CB :: 23.98(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.49(D) HA :: 4.96 HB :: 1.17 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.20(D) Ave N Shift Values>> N :: 123.23(3.7) F13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 175.29 CA :: 55.44(D) CB :: 41.29(D) CD1 :: 132.56 CE1 :: 131.20 CZ :: 128.56 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 :: 8.53(D) HA :: 5.04 HB3 :: 3.19 HD1 :: 7.24 HE1 :: 7.08 HZ :: 6.81 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.61(D) Ave N Shift Values>> N :: 120.69(4.18) G14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 180.44(S) CA :: 45.79(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18(D) HA2 :: 3.92 HA3 :: 3.73 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.60(D) Ave N Shift Values>> N :: 109.91(4.29) K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.9 M 0.09 C Shift Assignments>> C :: 175.78 CA :: 55.70(D) CB :: 34.73(D) CG :: 25.58(D) CD :: 30.02(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 :: 8.41(D) HA :: 4.72 HB2 :: 1.77 HB3 :: 1.70 HG3 :: 1.53 HD3 :: 1.74 HE3 :: 2.98 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 :: 118.50(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.16 L 0.06 C Shift Assignments>> C :: 178.35 CA :: 51.78(D) CB :: 20.84(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.89(D) HA :: 4.59 HB :: 1.20 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.79(D) Ave N Shift Values>> N :: 123.23(3.7) L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 G 0.23 R 0.14 C Shift Assignments>> C :: 173.75 CA :: 54.81(D) CB :: 43.97(D) CG :: 27.07 CD1 :: 26.27(D) CD2 :: 24.24 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 :: 8.57(D) HA :: 4.79 HB2 :: 1.73 HB3 :: 1.21 HG :: 1.39 HD1 :: 0.81 HD2 :: 0.94 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 :: 126.67(D) Ave N Shift Values>> N :: 121.98(4.07) L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 R 0.28 G 0.19 A 0.01 C Shift Assignments>> C :: 176.09 CA :: 53.76(D) CB :: 43.70(D) CG :: 28.46(D) CD1 :: 25.91(D) CD2 :: 23.95(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 :: 8.81(D) HA :: 4.90 HB2 :: 1.03 HB3 :: 1.70 HG :: 1.37 HD1 :: 0.89 HD2 :: 0.72 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 :: 127.89(D) Ave N Shift Values>> N :: 121.98(4.07) L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.85 R 0.11 K 0.01 A 0.01 HN Overlap>> I63 C Shift Assignments>> C :: 175.41 CA :: 53.97(D) CB :: 41.67(D) CG :: 27.45(D) CD1 :: 25.90(D) CD2 :: 24.34(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 :: 8.96(D) HA :: 4.48 HB2 :: 1.62 HG :: 1.59 HD1 :: 0.87 HD2 :: 0.80 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 :: 129.10(D) Ave N Shift Values>> N :: 121.98(4.07) K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.6 R 0.32 M 0.03 G 0.02 C Shift Assignments>> CA :: 55.71(D) CB :: 34.57(D) CG :: 24.95(D) CD :: 29.39(D) CE :: 42.26(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 :: 7.93(D) HA :: 4.48 HB2 :: 1.53 HB3 :: 1.77 HG3 :: 1.35 HD2 :: 1.70 HD3 :: 1.64 HE3 :: 2.96 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.06(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.54 M 0.39 I 0.02 Q 0.01 K 0.01 HN Overlap>> Q153 C Shift Assignments>> CA :: 55.67(D) CB :: 32.19(D) CG :: 36.77(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 :: 8.67(D) HA :: 4.45 HB2 :: 1.97 HB3 :: 1.84 HG3 :: 2.13 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 :: 124.89(D) Ave N Shift Values>> N :: 120.68(3.68) D22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.25 K 0.17 F 0.08 R 0.08 N 0.06 Y 0.06 HN Overlap>> R47 L50 C Shift Assignments>> C :: 176.25 CA :: 54.36(D) CB :: 41.70(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 :: 8.68(D) HA :: 4.55 HB2 :: 2.68 HB3 :: 2.53 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 :: 122.63(D) Ave N Shift Values>> N :: 120.73(4.2) E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.58 M 0.19 K 0.08 I 0.07 Q 0.05 C Shift Assignments>> C :: 176.05 CA :: 56.89(D) CB :: 30.64(D) CG :: 36.36(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 :: 8.50(D) HA :: 4.07 HB2 :: 1.87 HG2 :: 2.16 HG3 :: 2.23 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.21(D) Ave N Shift Values>> N :: 120.68(3.68) I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.17 CA :: 62.31(D) CB :: 38.96(D) CG1 :: 28.77(D) CG2 :: 18.00(D) CD1 :: 11.57 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 :: 8.33(D) HA :: 3.68 HB :: 1.64 HG2 :: 0.65 HG13 :: 1.61 HD1 :: 0.89 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.76(D) Ave N Shift Values>> N :: 121.6(4.72) V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.93 M 0.04 I 0.01 C Shift Assignments>> C :: 174.72 CA :: 62.17(D) CB :: 32.78(D) CG1 :: 21.14(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 :: 8.05(D) HA :: 4.00 HB :: 1.91 HG1 :: 0.79 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 :: 130.56(D) Ave N Shift Values>> N :: 121.02(4.96) I26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.96 A 0.03 C Shift Assignments>> C :: 176.00 CA :: 58.62(D) CB :: 38.06(D) CG1 :: 25.76 CG2 :: 17.66(D) CD1 :: 11.76 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 :: 7.89(D) HA :: 4.31 HB :: 1.56 HG2 :: 0.58 HG13 :: 1.07 HD1 :: 0.44 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 :: 126.35(D) Ave N Shift Values>> N :: 121.6(4.72) D27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.26 K 0.16 R 0.08 N 0.07 F 0.07 Y 0.05 C Shift Assignments>> C :: 176.30 CA :: 53.95(D) CB :: 41.82(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.42(D) HA :: 4.56 HB2 :: 2.70 HB3 :: 3.21 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 :: 128.22(D) Ave N Shift Values>> N :: 120.73(4.2) R28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.68 G 0.13 K 0.13 L 0.04 C Shift Assignments>> CA :: 55.69(D) CB :: 29.49(D) CG :: 28.19(D) CD :: 43.41(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 :: 8.21(D) HA :: 4.30 HB3 :: 2.11 HG2 :: 1.65 HG3 :: 1.46 HD2 :: 3.00 HD3 :: 3.10 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 :: 123.89(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) K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.63 R 0.27 M 0.08 HN Overlap>> T7 C Shift Assignments>> C :: 176.33 CA :: 57.23(D) CB :: 32.40(D) CG :: 24.45(D) CD :: 29.45(D) CE :: 41.89(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 :: 8.09(D) HA :: 4.20 HB2 :: 1.86 HG2 :: 1.45 HG3 :: 1.59 HE3 :: 2.95 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.18(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.58 R 0.33 M 0.03 G 0.03 C Shift Assignments>> CA :: 55.49(D) CB :: 33.21(D) CG :: 25.17(D) CD :: 29.03(D) CE :: 42.63(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 :: 8.24(D) HA :: 4.83 HB2 :: 1.91 HB3 :: 1.78 HG2 :: 1.58 HG3 :: 1.62 HD3 :: 1.74 HE3 :: 3.04 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.75(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.98 V 0.01 C Shift Assignments>> CA :: 60.68(D) CB :: 38.89(D) CG1 :: 23.85 CG2 :: 19.18(D) CD1 :: 15.40 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 :: 8.27(D) HA :: 4.36 HB :: 1.93 HG2 :: 0.74 HG12 :: 1.44 HG13 :: 1.22 HD1 :: 0.62 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 :: 118.08(D) Ave N Shift Values>> N :: 121.6(4.72) S32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.06(D) CB :: 65.02(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.07(D) HA :: 4.45 HB2 :: 3.80 HB3 :: 4.03 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.77(D) Ave N Shift Values>> N :: 116.3(3.95) A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.35 I 0.04 V 0.01 C Shift Assignments>> CA :: 55.46(D) CB :: 18.62(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.69(D) HA :: 3.77 HB :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.70(D) Ave N Shift Values>> N :: 123.23(3.7) D34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 F 0.17 Y 0.16 L 0.16 N 0.12 K 0.07 I 0.01 C Shift Assignments>> C :: 176.72 CA :: 55.34(D) CB :: 40.27(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 :: 8.22(D) HA :: 4.49 HB2 :: 2.69 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 :: 113.39(D) Ave N Shift Values>> N :: 120.73(4.2) Q35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.32 M 0.29 Q 0.23 K 0.12 I 0.01 HN Overlap>> A71 N172 C Shift Assignments>> C :: 176.11 CA :: 55.84(D) CB :: 30.89(D) CG :: 34.94(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 :: 7.78(D) HA :: 4.51 HB2 :: 2.17 HB3 :: 2.39 HG3 :: 2.38 HE21 :: 6.71(D) HE22 :: 7.67(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.07(D) NE2 :: 111.48(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 67.21(D) CB :: 32.68(D) CG1 :: 23.88 CG2 :: 22.20(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 :: 7.12(D) HA :: 3.35 HB :: 2.11 HG1 :: 1.16 HG2 :: 0.99 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 :: 120.52(D) Ave N Shift Values>> N :: 121.02(4.96) D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.32 I 0.14 L 0.06 D 0.05 K 0.03 E 0.01 N 0.01 HN Overlap>> E234 C Shift Assignments>> C :: 179.47 CA :: 58.34(D) CB :: 39.76(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 :: 8.51(D) HA :: 4.33 HB2 :: 2.63 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.32(D) Ave N Shift Values>> N :: 120.73(4.2) Q38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.29 K 0.27 Q 0.27 I 0.09 R 0.03 M 0.03 HN Overlap>> I77 C Shift Assignments>> C :: 179.00 CA :: 58.89(D) CB :: 28.79(D) CG :: 34.70(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.07(D) HA :: 4.14 HB3 :: 2.21 HG3 :: 2.42 HE21 :: 6.81(D) HE22 :: 7.66(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 :: 119.71(D) NE2 :: 111.19(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.53 I 0.31 K 0.07 M 0.04 Q 0.02 HN Overlap>> A127 C Shift Assignments>> C :: 179.18 CA :: 59.40(D) CB :: 29.87(D) CG :: 36.59 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 :: 8.15(D) HA :: 4.17 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 :: 121.68(D) Ave N Shift Values>> N :: 120.68(3.68) V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.40 CA :: 68.54(D) CB :: 31.98(D) CG1 :: 24.12 CG2 :: 21.92 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 :: 8.72(D) HA :: 3.63 HB :: 2.37 HG1 :: 1.20 HG2 :: 1.07 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 :: 121.69(D) Ave N Shift Values>> N :: 121.02(4.96) E41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.44 I 0.4 K 0.09 Q 0.03 M 0.01 HN Overlap>> V107 C Shift Assignments>> C :: 178.94 CA :: 59.90(D) CB :: 29.09(D) CG :: 36.34(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 :: 4.03 HB3 :: 2.14 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.50(D) Ave N Shift Values>> N :: 120.68(3.68) R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.62 G 0.2 K 0.12 I 0.05 C Shift Assignments>> C :: 180.22 CA :: 60.21(D) CB :: 31.15(D) CD :: 43.46 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 :: 8.19(D) HA :: 4.07 HB3 :: 2.09 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.40(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) F43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 Y 0.28 F 0.23 E 0.06 HN Overlap>> L79 C Shift Assignments>> CA :: 60.22(D) CB :: 38.23(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 :: 8.02(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.31(D) Ave N Shift Values>> N :: 120.69(4.18) L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.54 L 0.19 I 0.13 R 0.11 C Shift Assignments>> C :: 180.78 CA :: 58.29(D) CB :: 41.34(D) CG :: 25.07 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 :: 8.51(D) HA :: 3.24 HB3 :: 1.80 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 :: 120.49(D) Ave N Shift Values>> N :: 121.98(4.07) S45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.58 CA :: 61.58(D) CB :: 63.10(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.01(D) HA :: 4.23 HB2 :: 3.92 HB3 :: 3.97 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.16(D) Ave N Shift Values>> N :: 116.3(3.95) G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 175.04 CA :: 47.29(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.93(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.22(D) Ave N Shift Values>> N :: 109.91(4.29) R47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.47 R 0.42 G 0.06 L 0.03 HN Overlap>> D22 L50 C Shift Assignments>> CA :: 60.41(D) CB :: 29.88(D) CG :: 25.07 CD :: 42.64 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 :: 8.74(D) HA :: 3.64 HB3 :: 2.12 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.56(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) A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.34 I 0.04 C Shift Assignments>> CA :: 55.28(D) CB :: 18.02(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.87(D) HA :: 4.17 HB :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.11(D) Ave N Shift Values>> N :: 123.23(3.7) K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.75 R 0.21 G 0.03 HN Overlap>> Q211 C Shift Assignments>> C :: 179.97 CA :: 60.16(D) CB :: 33.10(D) CG :: 25.02(D) CE :: 42.26(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 :: 7.64(D) HA :: 4.02(D) HB3 :: 1.78(D) HG3 :: 1.33(D) HE3 :: 2.96(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.03(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> CA :: 55.00(D) CB :: 18.29(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.00(D) HA :: 4.18 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.31(D) Ave N Shift Values>> N :: 123.23(3.7) S51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> S248 C Shift Assignments>> C :: 175.68 CA :: 60.70 CB :: 63.06(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.14(D) HA :: 3.92 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 :: 114.64(D) Ave N Shift Values>> N :: 116.3(3.95) A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.33 I 0.04 C Shift Assignments>> C :: 181.64 CA :: 55.35(D) CB :: 18.08(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.73(D) HA :: 4.17 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.31(D) Ave N Shift Values>> N :: 123.23(3.7) Q53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.33 K 0.32 R 0.14 E 0.11 I 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 179.89 CA :: 58.83(D) CB :: 27.79(D) CG :: 33.72(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 :: 7.89(D) HA :: 4.03 HE21 :: 7.55 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 :: 117.41(D) NE2 :: 111.22 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.37 K 0.26 L 0.25 G 0.06 I 0.03 HN Overlap>> S3 Y122 C Shift Assignments>> C :: 178.53 CA :: 58.26(D) CB :: 43.12(D) CG :: 25.52 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 :: 8.20(D) HA :: 3.98 HB3 :: 2.08 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 :: 119.69(D) Ave N Shift Values>> N :: 121.98(4.07) E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.41 I 0.37 K 0.12 Q 0.06 M 0.02 HN Overlap>> A112 C Shift Assignments>> C :: 179.25 CA :: 60.33(D) CB :: 29.16(D) CG :: 35.86(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 :: 8.52(D) HA :: 3.96 HB3 :: 2.12 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 :: 121.46(D) Ave N Shift Values>> N :: 120.68(3.68) T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.53(D) CA :: 66.68(D) CB :: 69.08(D) CG2 :: 22.27(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 :: 7.58(D) HA :: 3.98(D) HB :: 4.26(D) HG2 :: 1.22(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 :: 116.22(D) Ave N Shift Values>> N :: 115.7(5.05) I57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.74 CA :: 66.01(D) CB :: 38.57(D) CG1 :: 34.75 CG2 :: 16.93 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 :: 7.88(D) HA :: 3.29 HB :: 1.51 HG2 :: 0.04 HG13 :: 0.66 HD1 :: 0.81 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.45(D) Ave N Shift Values>> N :: 121.6(4.72) K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.9 R 0.09 C Shift Assignments>> C :: 177.74 CA :: 60.46(D) CB :: 32.68(D) CG :: 24.91(D) CE :: 40.94 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 :: 8.71(D) HA :: 3.66 HB3 :: 1.80 HD3 :: 1.64 HE3 :: 2.90 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.48(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> S210 C Shift Assignments>> C :: 177.39(D) CA :: 66.37(D) CB :: 69.21(D) CG2 :: 22.05(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 :: 7.70(D) HA :: 3.97(D) HB :: 4.25(D) HG2 :: 1.23(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.17(D) Ave N Shift Values>> N :: 115.7(5.05) K60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.53 R 0.41 G 0.02 M 0.02 C Shift Assignments>> C :: 178.98 CA :: 58.89(D) CB :: 31.86(D) CG :: 25.08(D) CD :: 28.73(D) CE :: 42.48(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 :: 7.91(D) HA :: 4.11 HB2 :: 1.84 HB3 :: 1.90 HG3 :: 1.52 HD3 :: 1.63 HE3 :: 2.95 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.84(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.39 I 0.03 V 0.01 C Shift Assignments>> C :: 180.73 CA :: 55.25(D) CB :: 18.74(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.00(D) HA :: 4.33 HB :: 1.50 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.39(D) Ave N Shift Values>> N :: 123.23(3.7) G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 176.74 CA :: 47.03(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.30(D) HA2 :: 4.12 HA3 :: 4.02 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.30(D) Ave N Shift Values>> N :: 109.91(4.29) E63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.57 I 0.23 M 0.08 K 0.06 Q 0.02 HN Overlap>> K238 C Shift Assignments>> C :: 178.19 CA :: 58.93(D) CB :: 30.38(D) CG :: 36.62(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 :: 7.73(D) HA :: 4.10 HB2 :: 2.05 HB3 :: 2.19 HG3 :: 2.40 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 :: 120.67(D) Ave N Shift Values>> N :: 120.68(3.68) T64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.09 CA :: 65.19(D) CB :: 69.88(D) CG2 :: 22.18(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 :: 8.05(D) HA :: 3.91 HB :: 3.69 HG2 :: 0.47 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.43(D) Ave N Shift Values>> N :: 115.7(5.05) F65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.5 Y 0.48 C Shift Assignments>> C :: 176.59 CA :: 58.57(D) CB :: 41.49(D) CD1 :: 132.27 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 :: 8.64(D) HA :: 4.80 HB3 :: 3.37 HD1 :: 7.45 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.96(D) Ave N Shift Values>> N :: 120.69(4.18) G66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.15 R 0.08 F 0.01 C Shift Assignments>> C :: 175.06 CA :: 44.96(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.88(D) HA2 :: 4.66 HA3 :: 4.08 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.19(D) Ave N Shift Values>> N :: 109.91(4.29) E67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.52 I 0.32 K 0.06 M 0.05 Q 0.02 C Shift Assignments>> C :: 178.71 CA :: 59.79(D) CB :: 30.10(D) CG :: 36.44(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 :: 8.63(D) HA :: 4.12 HB3 :: 2.08 HG3 :: 2.32 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 :: 119.29(D) Ave N Shift Values>> N :: 120.68(3.68) E68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.45 I 0.42 K 0.08 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.18 CA :: 59.74(D) CB :: 29.18(D) CG :: 36.62(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 :: 8.89(D) HA :: 4.06(D) HB3 :: 2.05(D) HG3 :: 2.32(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 :: 119.76(D) Ave N Shift Values>> N :: 120.68(3.68) K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.81 R 0.14 M 0.03 HN Overlap>> E86 N225 C Shift Assignments>> CA :: 57.47(D) CB :: 32.30(D) CG :: 25.88(D) CD :: 28.44(D) CE :: 40.53(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 :: 7.59(D) HA :: 4.09 HB2 :: 1.85 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 :: 116.98(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 E 0.43 K 0.04 M 0.03 Q 0.01 HN Overlap>> I89 D120 Q71 C Shift Assignments>> C :: 176.43 CA :: 60.69(D) CB :: 30.08(D) CG :: 36.56(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 :: 7.77(D) HA :: 3.96(D) HB3 :: 2.07 HG3 :: 2.36 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 :: 119.23(D) Ave N Shift Values>> N :: 120.68(3.68) A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 A 0.43 I 0.02 HN Overlap>> Q35 N172 C Shift Assignments>> C :: 180.81 CA :: 54.92(D) CB :: 18.50(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.74(D) HA :: 4.14 HB :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.03(D) Ave N Shift Values>> N :: 123.23(3.7) I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 178.04 CA :: 64.56(D) CB :: 37.68(D) CG2 :: 16.16 CD1 :: 13.46 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 :: 7.37(D) HA :: 3.42 HB :: 1.44 HG2 :: -0.03 HG12 :: 0.95 HG13 :: 0.91 HD1 :: 0.67 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 :: 118.34(D) Ave N Shift Values>> N :: 121.6(4.72) F73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.57 Y 0.42 HN Overlap>> L171 C Shift Assignments>> C :: 177.81 CA :: 62.26(D) CB :: 38.87(D) CD1 :: 131.49 CE1 :: 131.01 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 :: 7.00(D) HA :: 3.93 HD1 :: 7.07 HE1 :: 6.94 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.70(D) Ave N Shift Values>> N :: 120.69(4.18) E74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.46 I 0.38 K 0.08 M 0.03 Q 0.03 C Shift Assignments>> C :: 179.28 CA :: 60.09(D) CB :: 29.59(D) CG :: 36.32(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 :: 8.24(D) HA :: 4.09 HB3 :: 2.08 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 :: 120.98(D) Ave N Shift Values>> N :: 120.68(3.68) G75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.73 CA :: 47.26(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.73(D) HA3 :: 3.74 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.99(D) Ave N Shift Values>> N :: 109.91(4.29) H76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.93 Y 0.06 HN Overlap>> Q111 C Shift Assignments>> C :: 177.72(D) CA :: 59.51(D) CB :: 32.30(D) CD2 :: 115.42(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 :: 7.75(D) HA :: 4.19 HB2 :: 3.22 HB3 :: 3.07 HD2 :: 6.64(D) HE1 :: 6.89 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.63(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> Q38 C Shift Assignments>> C :: 177.23 CA :: 66.77(D) CB :: 38.82(D) CG1 :: 32.08 CG2 :: 17.71 CD1 :: 14.00 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 :: 8.00(D) HA :: 3.51 HB :: 1.93 HG2 :: 0.92 HG13 :: 1.94 HD1 :: 0.81 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 :: 119.78(D) Ave N Shift Values>> N :: 121.6(4.72) M78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.95 I 0.03 A 0.01 C Shift Assignments>> CA :: 59.30(D) CB :: 33.73(D) CG :: 32.75(D) CE :: 17.19 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 :: 7.87(D) HE :: 2.19 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 :: 117.04(D) Ave N Shift Values>> N :: 120.1(3.88) L79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.65 R 0.25 G 0.07 HN Overlap>> F43 C Shift Assignments>> C :: 177.32 CA :: 58.89(D) CB :: 42.83(D) CG :: 27.36 CD1 :: 23.91(D) CD2 :: 25.52(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 :: 8.05(D) HA :: 4.03 HB2 :: 1.60 HB3 :: 1.99 HG :: 1.83 HD1 :: 0.83 HD2 :: 0.94 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 :: 119.23(D) Ave N Shift Values>> N :: 121.98(4.07) L80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 R 0.32 G 0.04 K 0.02 C Shift Assignments>> C :: 177.58(D) CA :: 57.88(D) CB :: 42.51(D) CG :: 27.39(D) CD1 :: 25.38(D) CD2 :: 26.29(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 :: 8.00(D) HA :: 3.79(D) HB2 :: 1.80 HB3 :: 1.68 HG :: 1.69(D) HD1 :: 0.85 HD2 :: 0.92 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.83(D) Ave N Shift Values>> N :: 121.98(4.07) E81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.63 I 0.18 K 0.11 M 0.03 Q 0.01 C Shift Assignments>> C :: 175.38 CA :: 56.36(D) CB :: 29.06(D) CG :: 37.16(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 :: 7.98(D) HA :: 4.01 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 :: 112.73(D) Ave N Shift Values>> N :: 120.68(3.68) D82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 L 0.23 R 0.13 F 0.02 Y 0.01 D 0.01 C Shift Assignments>> C :: 177.96 CA :: 56.37(D) CB :: 45.04(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 :: 7.25(D) HA :: 4.44 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 :: 121.72(D) Ave N Shift Values>> N :: 120.73(4.2) E83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 E 0.45 M 0.03 K 0.03 C Shift Assignments>> C :: 178.63(D) CA :: 60.12(D) CB :: 30.22(D) CG :: 37.14(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 :: 9.24(D) HA :: 4.14(D) HB2 :: 2.12 HB3 :: 2.14(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 :: 128.15(D) Ave N Shift Values>> N :: 120.68(3.68) E84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 E 0.42 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> CA :: 59.68(D) CB :: 28.93(D) CG :: 36.94(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 :: 8.66(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 :: 121.27(D) Ave N Shift Values>> N :: 120.68(3.68) L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.65 R 0.28 K 0.04 G 0.01 HN Overlap>> E249 A251 C Shift Assignments>> CA :: 58.83(D) CB :: 41.83(D) CG :: 27.17 CD1 :: 24.98 CD2 :: 26.78(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 :: 8.00(D) HB3 :: 1.89 HG :: 1.68 HD1 :: 0.92 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.39(D) Ave N Shift Values>> N :: 121.98(4.07) E86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.52 I 0.33 M 0.07 K 0.04 Q 0.02 HN Overlap>> K69 N225 C Shift Assignments>> C :: 177.54 CA :: 60.14(D) CB :: 30.55(D) CG :: 36.47(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 :: 7.61(D) HA :: 3.86 HB3 :: 1.87 HG2 :: 2.16 HG3 :: 2.24 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 :: 116.97(D) Ave N Shift Values>> N :: 120.68(3.68) Q87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 Q 0.28 E 0.25 I 0.08 R 0.04 M 0.02 HN Overlap>> L142 C Shift Assignments>> C :: 179.10 CA :: 59.09(D) CB :: 28.69(D) CG :: 34.49(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 :: 7.98(D) HA :: 3.93 HB2 :: 2.22 HG2 :: 2.53 HG3 :: 2.61 HE21 :: 6.77(D) HE22 :: 7.51(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 :: 115.51(D) NE2 :: 111.33(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.48 I 0.4 K 0.05 M 0.03 Q 0.01 HN Overlap>> I108 C Shift Assignments>> C :: 179.16 CA :: 59.98(D) CB :: 29.96(D) CG :: 36.70(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 :: 8.26(D) HA :: 4.01 HB3 :: 2.04 HG3 :: 2.48 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 :: 120.25(D) Ave N Shift Values>> N :: 120.68(3.68) I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> E70 C Shift Assignments>> CA :: 66.61(D) CB :: 37.83(D) CG2 :: 15.63 CD1 :: 14.87 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 :: 7.81(D) HA :: 3.32 HB :: 1.25 HG2 :: -0.09 HD1 :: 0.48 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 :: 119.33(D) Ave N Shift Values>> N :: 121.6(4.72) I90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> R131 D237 C Shift Assignments>> C :: 177.34 CA :: 66.55(D) CB :: 37.68(D) CG2 :: 16.71 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 :: 8.22(D) HA :: 3.47 HB :: 1.87 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 :: 117.93(D) Ave N Shift Values>> N :: 121.6(4.72) A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.3 I 0.05 V 0.01 HN Overlap>> I236 C Shift Assignments>> C :: 180.04 CA :: 55.65(D) CB :: 18.22(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 :: 4.07 HB :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.65(D) Ave N Shift Values>> N :: 123.23(3.7) L92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 K 0.31 I 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 179.93 CA :: 58.35(D) CB :: 41.65(D) CD1 :: 27.07(D) CD2 :: 22.08 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 :: 7.27(D) HA :: 3.96 HB3 :: 1.98 HD1 :: 0.94 HD2 :: 0.83 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 :: 117.46(D) Ave N Shift Values>> N :: 121.98(4.07) I93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 65.52(D) CB :: 39.62(D) CG2 :: 18.21(D) CD1 :: 15.24 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 :: 7.50(D) HA :: 4.14 HB :: 1.89 HG2 :: 1.05 HD1 :: 0.70 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 :: 119.99(D) Ave N Shift Values>> N :: 121.6(4.72) K94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.98 M 0.01 C Shift Assignments>> C :: 178.05 CA :: 60.40(D) CB :: 33.56(D) CG :: 25.72 CD :: 28.82 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 :: 8.54(D) HA :: 3.99 HB2 :: 1.87 HB3 :: 1.75 HG3 :: 1.59 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.98(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 L 0.21 D 0.18 F 0.14 Y 0.11 R 0.06 N 0.03 I 0.01 C Shift Assignments>> C :: 178.38 CA :: 56.03(D) CB :: 41.38(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 :: 8.88(D) HA :: 4.63 HB2 :: 2.53 HB3 :: 2.85 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 :: 114.92(D) Ave N Shift Values>> N :: 120.73(4.2) K96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.55 R 0.4 M 0.02 G 0.01 C Shift Assignments>> C :: 175.68 CA :: 55.46(D) CB :: 32.90(D) CG :: 25.99(D) CD :: 29.21 CE :: 42.24(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 :: 7.19(D) HA :: 4.43 HB2 :: 2.16 HG2 :: 1.31 HG3 :: 1.47 HD3 :: 1.61 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.91(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.26 Q 0.13 K 0.12 H 0.09 E 0.04 I 0.04 C Shift Assignments>> C :: 174.45 CA :: 56.25(D) CB :: 26.62(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 :: 7.31(D) HA :: 4.48 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 :: 115.65(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 E 0.41 Q 0.02 I 0.01 C Shift Assignments>> C :: 174.55 CA :: 55.69(D) CB :: 36.20(D) CG :: 33.13(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 :: 7.27(D) HA :: 4.55 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 :: 116.72(D) Ave N Shift Values>> N :: 120.1(3.88) T99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.99 CA :: 61.16(D) CB :: 71.98(D) CG2 :: 23.91 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 :: 8.35(D) HA :: 3.98 HB :: 4.52 HG2 :: 1.24 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 :: 105.92(D) Ave N Shift Values>> N :: 115.7(5.05) A100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.55 A 0.26 V 0.06 L 0.05 T 0.03 I 0.02 C Shift Assignments>> C :: 179.08 CA :: 55.93(D) CB :: 20.06(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.46(S) HA :: 3.88 HB :: 1.67 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.28(D) Ave N Shift Values>> N :: 123.23(3.7) D101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.23 F 0.2 Y 0.18 L 0.15 N 0.09 K 0.08 I 0.02 C Shift Assignments>> C :: 176.86 CA :: 55.83(D) CB :: 40.25(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.38(D) HA :: 4.15 HB2 :: 2.41 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 :: 108.75(D) Ave N Shift Values>> N :: 120.73(4.2) A102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.25 I 0.07 V 0.02 C Shift Assignments>> C :: 180.13 CA :: 56.05(D) CB :: 18.54(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.53(D) HA :: 3.95 HB :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.52(D) Ave N Shift Values>> N :: 123.23(3.7) A103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.4 A 0.28 L 0.22 V 0.04 T 0.02 K 0.01 C Shift Assignments>> C :: 178.46 CA :: 54.97(D) CB :: 21.20(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.87(D) HA :: 4.06 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.96(D) Ave N Shift Values>> N :: 123.23(3.7) A104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.34 I 0.04 C Shift Assignments>> C :: 178.79 CA :: 55.32(D) CB :: 18.07(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.25(D) HA :: 3.76 HB :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.46(D) Ave N Shift Values>> N :: 123.23(3.7) H105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.99 C Shift Assignments>> C :: 176.54 CA :: 61.07(D) CB :: 31.32(D) CD2 :: 120.41 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.21(D) HA :: 4.05 HD2 :: 6.89 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 :: 115.56(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 I 0.32 K 0.1 Q 0.05 M 0.03 C Shift Assignments>> C :: 180.54 CA :: 59.88(D) CB :: 29.49(D) CG :: 36.09(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 :: 8.16(D) HA :: 3.77 HB2 :: 1.99 HB3 :: 2.19 HG2 :: 2.15 HG3 :: 2.25 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.29(D) Ave N Shift Values>> N :: 120.68(3.68) V107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> E41 C Shift Assignments>> C :: 178.88 CA :: 66.59(D) CB :: 32.43(D) CG1 :: 23.04 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 :: 3.67 HB :: 1.77 HG1 :: 0.98 HG2 :: 0.88 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 :: 118.47(D) Ave N Shift Values>> N :: 121.02(4.96) I108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> E88 C Shift Assignments>> C :: 177.58 CA :: 64.51(D) CB :: 36.83(D) CG1 :: 27.45(D) CG2 :: 18.14(D) CD1 :: 11.49 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 :: 8.28(D) HA :: 3.57 HB :: 2.05 HG2 :: 0.83 HG13 :: 1.46 HD1 :: 0.73 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 :: 120.21(D) Ave N Shift Values>> N :: 121.6(4.72) E109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.39 I 0.23 K 0.2 Q 0.13 R 0.01 M 0.01 C Shift Assignments>> C :: 180.12 CA :: 58.84(D) CB :: 28.18(D) CG :: 35.66(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 :: 8.61(D) HA :: 3.98 HB2 :: 1.61 HG3 :: 2.02 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.93(D) Ave N Shift Values>> N :: 120.68(3.68) G110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.04 P 0.02 A 0.02 N 0.01 C Shift Assignments>> CA :: 47.37(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.77(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.12(D) Ave N Shift Values>> N :: 109.91(4.29) Q111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.36 Q 0.29 R 0.19 E 0.06 M 0.05 I 0.01 HN Overlap>> H76 C Shift Assignments>> C :: 178.18 CA :: 58.44(D) CB :: 28.36(D) CG :: 32.96(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 :: 7.74(D) HA :: 4.21 HB2 :: 2.08 HB3 :: 2.08 HE21 :: 6.84(D) HE22 :: 6.19(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 :: 121.62(D) NE2 :: 109.31(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.22 I 0.08 V 0.02 HN Overlap>> E55 C Shift Assignments>> C :: 179.12 CA :: 56.28(D) CB :: 18.54(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.54(D) HA :: 3.84 HB :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.37(D) Ave N Shift Values>> N :: 123.23(3.7) S113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.76 CA :: 62.25(D) CB :: 63.05(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.45(D) HA :: 4.19 HB3 :: 3.90 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.43(D) Ave N Shift Values>> N :: 116.3(3.95) A114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.39 I 0.03 C Shift Assignments>> CA :: 54.95(D) CB :: 17.92(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.42(D) HA :: 4.11 HB :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.59(D) Ave N Shift Values>> N :: 123.23(3.7) L115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.89 R 0.05 G 0.04 HN Overlap>> K255 Q21 C Shift Assignments>> C :: 178.76 CA :: 57.59(D) CB :: 42.46(D) CG :: 25.88 CD1 :: 25.32(D) CD2 :: 23.59 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 :: 7.60(D) HA :: 4.01 HB3 :: 1.94 HD1 :: 0.84 HD2 :: 0.80 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 :: 117.41(D) Ave N Shift Values>> N :: 121.98(4.07) E116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.53 I 0.37 K 0.04 M 0.03 C Shift Assignments>> C :: 177.71 CA :: 58.61(D) CB :: 29.85(D) CG :: 37.48(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 :: 7.76(D) HA :: 3.92 HB3 :: 2.14 HG3 :: 2.23 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 :: 115.96(D) Ave N Shift Values>> N :: 120.68(3.68) E117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.58 I 0.14 M 0.11 K 0.1 Q 0.04 C Shift Assignments>> C :: 177.03 CA :: 57.76(D) CB :: 30.21(D) CG :: 36.48(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 :: 7.44(D) HA :: 4.14 HB2 :: 2.11 HB3 :: 2.04 HG3 :: 2.40 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.33(D) Ave N Shift Values>> N :: 120.68(3.68) L118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.59 K 0.3 A 0.05 G 0.02 R 0.01 C Shift Assignments>> C :: 176.75 CA :: 55.41(D) CB :: 42.14(D) CD1 :: 22.96(D) CD2 :: 26.64(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 :: 7.15(D) HA :: 4.23 HB2 :: 1.86 HG :: 1.88 HD1 :: 0.85 HD2 :: 0.94 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.51(D) Ave N Shift Values>> N :: 121.98(4.07) D119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.17 F 0.15 Y 0.14 N 0.12 K 0.09 I 0.01 R 0.01 C Shift Assignments>> C :: 174.98 CA :: 55.18(D) CB :: 40.45(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 :: 8.01(D) HA :: 4.37 HB2 :: 2.86 HB3 :: 2.45 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.03(D) Ave N Shift Values>> N :: 120.73(4.2) D120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.49 L 0.28 R 0.13 D 0.04 F 0.01 Y 0.01 HN Overlap>> E70 Q71 C Shift Assignments>> CA :: 54.04(D) CB :: 44.66(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 :: 7.69(D) HA :: 4.70 HB2 :: 2.51 HB3 :: 2.56 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 :: 119.18(D) Ave N Shift Values>> N :: 120.73(4.2) E121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.49 I 0.37 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 178.18 CA :: 60.22(D) CB :: 30.09(D) CG :: 36.37(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 :: 8.99(D) HA :: 3.87 HB2 :: 2.00 HB3 :: 2.00 HG3 :: 2.25 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 :: 126.81(D) Ave N Shift Values>> N :: 120.68(3.68) Y122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 HN Overlap>> S3 L54 C Shift Assignments>> C :: 178.51 CA :: 61.21(D) CB :: 37.77(D) CD1 :: 133.53 CE1 :: 118.23 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 :: 8.25(D) HA :: 4.30 HB2 :: 3.10 HD1 :: 7.06 HE1 :: 6.73 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.60(D) Ave N Shift Values>> N :: 120.79(4.69) L123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 R 0.05 C Shift Assignments>> C :: 179.23 CA :: 57.50(D) CB :: 41.15(D) CG :: 26.87(D) CD1 :: 25.15 CD2 :: 25.20 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 :: 8.07(D) HA :: 4.04 HG :: 1.68 HD1 :: 1.31 HD2 :: 1.42 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 :: 120.00(D) Ave N Shift Values>> N :: 121.98(4.07) K124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.95 M 0.04 C Shift Assignments>> C :: 180.94 CA :: 60.31(D) CB :: 32.48(D) CG :: 26.15(D) CD :: 30.03 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 :: 8.06(D) HA :: 3.89 HB2 :: 1.91 HB3 :: 1.55 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.01(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.48 I 0.37 K 0.08 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.98 CA :: 59.36(D) CB :: 29.23(D) CG :: 36.68 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 :: 7.63(D) HA :: 4.06 HB3 :: 2.10 HG3 :: 2.41 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 :: 120.03(D) Ave N Shift Values>> N :: 120.68(3.68) R126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.4 G 0.06 L 0.04 C Shift Assignments>> C :: 178.75 CA :: 58.43(D) CB :: 30.13 CG :: 25.11 CD :: 42.97 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 :: 7.67 HE :: 7.32 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 :: 118.82 NE :: 83.63 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.33 I 0.03 V 0.02 L 0.01 T 0.01 HN Overlap>> E39 C Shift Assignments>> C :: 178.78 CA :: 55.65(D) CB :: 19.26(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.10(D) HA :: 3.80 HB :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.63(D) Ave N Shift Values>> N :: 123.23(3.7) A128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.34 I 0.04 C Shift Assignments>> CA :: 55.33(D) CB :: 18.17(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.46(D) HA :: 4.11 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.18(D) Ave N Shift Values>> N :: 123.23(3.7) D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.3 D 0.1 L 0.09 I 0.09 K 0.05 N 0.02 E 0.01 HN Overlap>> L256 C Shift Assignments>> CA :: 57.51 CB :: 39.91 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 :: 7.67 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 :: 120.41 Ave N Shift Values>> N :: 120.73(4.2) V130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> L197 V242 C Shift Assignments>> CA :: 66.46(D) CB :: 31.87(D) CG1 :: 22.82(D) CG2 :: 21.48 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 :: 7.66 HA :: 3.74 HB :: 2.32 HG1 :: 1.11 HG2 :: 0.89 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 :: 120.23 Ave N Shift Values>> N :: 121.02(4.96) R131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.57 K 0.35 G 0.07 HN Overlap>> I90 D237 C Shift Assignments>> CA :: 61.09(D) CB :: 30.27(D) CG :: 29.19 CD :: 42.45(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 :: 8.24(D) HA :: 3.90 HD3 :: 2.97 HE :: 8.67 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 :: 117.86(D) NE :: 86.33 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.18 L 0.16 Y 0.14 R 0.13 D 0.06 I 0.03 C Shift Assignments>> CA :: 57.83(D) CB :: 41.80(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 :: 7.99(D) HA :: 4.44 HB3 :: 3.04 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 :: 121.51(D) Ave N Shift Values>> N :: 120.73(4.2) I133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> L144 L199 C Shift Assignments>> C :: 178.68 CA :: 65.05(D) CB :: 38.83(D) CG1 :: 28.80(D) CG2 :: 19.45(D) CD1 :: 15.33 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 :: 8.11(D) HA :: 3.92 HB :: 1.88 HG2 :: 0.90 HG12 :: 1.04 HG13 :: 1.77 HD1 :: 0.70 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 :: 119.48(D) Ave N Shift Values>> N :: 121.6(4.72) G134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.5 G 0.22 A 0.14 N 0.06 D 0.02 C Shift Assignments>> C :: 175.03 CA :: 48.39(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.75(D) HA3 :: 3.70 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.59(D) Ave N Shift Values>> N :: 109.91(4.29) K135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.97 M 0.02 C Shift Assignments>> C :: 178.21 CA :: 60.55(D) CB :: 32.54(D) CG :: 25.01 CD :: 28.93 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 :: 8.53(D) HA :: 3.99 HB2 :: 1.95 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.41(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.39 R 0.29 I 0.27 L 0.02 G 0.01 HN Overlap>> Q71 C Shift Assignments>> C :: 180.27 CA :: 60.27(D) CB :: 29.46 CD :: 42.01 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 :: 7.63(D) HE :: 8.12 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 :: 119.31(D) NE :: 80.09 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.87 R 0.06 G 0.03 A 0.01 HN Overlap>> T36 C Shift Assignments>> C :: 177.90 CA :: 59.15(D) CB :: 41.84(D) CG :: 26.10 CD1 :: 24.99 CD2 :: 21.30 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 :: 8.87(D) HA :: 3.95 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 :: 121.99(D) Ave N Shift Values>> N :: 121.98(4.07) L138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.81 R 0.14 G 0.03 HN Overlap>> N233 C Shift Assignments>> C :: 179.22 CA :: 58.73(D) CB :: 42.28(D) CG :: 27.14 CD1 :: 25.11 CD2 :: 24.90 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 :: 8.91(D) HA :: 3.88 HB3 :: 1.33 HG :: 1.85 HD1 :: 1.01 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.91(D) Ave N Shift Values>> N :: 121.98(4.07) R139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.43 I 0.29 K 0.14 G 0.12 C Shift Assignments>> C :: 178.24 CA :: 61.76(D) CB :: 30.12(D) CD :: 42.75 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 :: 8.69(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 :: 115.93(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) N140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 F 0.2 L 0.16 Y 0.16 D 0.09 R 0.07 I 0.03 N 0.01 C Shift Assignments>> C :: 178.35 CA :: 57.43(D) CB :: 41.34(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 :: 7.64(D) HA :: 4.64 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 :: 114.65(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.23 CA :: 66.46(D) CB :: 39.02(D) CG2 :: 17.23(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 :: 8.74(D) HA :: 3.69 HB :: 1.88 HG2 :: 0.89 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.10(D) Ave N Shift Values>> N :: 121.6(4.72) L142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.52 L 0.22 G 0.19 A 0.05 HN Overlap>> Q87 C Shift Assignments>> C :: 177.18 CA :: 55.91(D) CB :: 43.70(D) CG :: 28.44 CD1 :: 22.39 CD2 :: 26.55(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 :: 8.05(D) HA :: 4.14 HB3 :: 1.65 HD1 :: 0.98 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 :: 115.53(D) Ave N Shift Values>> N :: 121.98(4.07) G143 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>> CA :: 46.86(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.62(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.73(D) Ave N Shift Values>> N :: 109.91(4.29) L144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 A 0.31 G 0.13 K 0.02 HN Overlap>> I133 L199 C Shift Assignments>> CA :: 53.77(D) CB :: 43.08(D) CD1 :: 26.72(D) CD2 :: 21.87 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 :: 8.15(D) HA :: 4.39 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 :: 119.41(D) Ave N Shift Values>> N :: 121.98(4.07) K145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.69 R 0.24 M 0.05 C Shift Assignments>> CA :: 57.35(D) CB :: 33.07(D) CG :: 25.02(D) CD :: 29.32(D) CE :: 41.61 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 :: 8.40(D) HA :: 4.04 HB2 :: 1.69 HB3 :: 1.75 HG2 :: 1.43 HG3 :: 1.31 HD3 :: 1.66 HE3 :: 2.97 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.02(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> D148 C Shift Assignments>> C :: 176.44 CA :: 59.34(D) CB :: 39.39(D) CG1 :: 27.73(D) CG2 :: 17.62(D) CD1 :: 13.65 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 :: 8.26(D) HA :: 4.33 HB :: 1.74 HG2 :: 0.81 HG13 :: 1.11 HD1 :: 0.77 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 :: 126.16(D) Ave N Shift Values>> N :: 121.6(4.72) I147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.81 CA :: 62.35(D) CB :: 38.48(D) CG1 :: 28.51(D) CG2 :: 17.50(D) CD1 :: 13.59 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 :: 8.83(D) HA :: 3.84 HB :: 1.75 HG2 :: 0.79 HG12 :: 1.53 HG13 :: 1.11 HD1 :: 0.79 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 :: 129.02(D) Ave N Shift Values>> N :: 121.6(4.72) D148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.19 N 0.19 K 0.09 F 0.05 Y 0.04 R 0.02 HN Overlap>> I146 C Shift Assignments>> C :: 177.30 CA :: 52.63(D) CB :: 41.25(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 :: 8.31(D) HA :: 4.85 HB2 :: 2.85 HB3 :: 2.52 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 :: 126.06(D) Ave N Shift Values>> N :: 120.73(4.2) L149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.91 R 0.05 A 0.01 C Shift Assignments>> C :: 177.11 CA :: 56.11(D) CB :: 41.27(D) CG :: 26.53 CD1 :: 23.73(D) CD2 :: 25.82(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 :: 8.50(D) HA :: 4.16 HB2 :: 1.59 HB3 :: 0.92 HG :: 1.82 HD1 :: 0.76 HD2 :: 0.84 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 :: 125.84(D) Ave N Shift Values>> N :: 121.98(4.07) S150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.47 CA :: 60.81(D) CB :: 64.01(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.54(D) HA :: 4.40 HB3 :: 3.96 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 :: 115.67(D) Ave N Shift Values>> N :: 116.3(3.95) A151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 177.01 CA :: 51.80(D) CB :: 19.22(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.41(D) HA :: 4.44 HB :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.54(D) Ave N Shift Values>> N :: 123.23(3.7) I152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 63.02(D) CB :: 38.64(D) CG1 :: 26.50 CG2 :: 18.56(D) CD1 :: 14.31 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.88(D) HA :: 3.85 HB :: 1.74 HG2 :: 0.99 HG12 :: 1.54 HG13 :: 1.08 HD1 :: 0.80 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 :: 118.96(D) Ave N Shift Values>> N :: 121.6(4.72) Q153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 M 0.3 K 0.18 E 0.16 R 0.02 HN Overlap>> E21 C Shift Assignments>> C :: 175.17 CA :: 56.47(D) CB :: 30.79(D) CG :: 33.74(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.66(D) HA :: 4.34 HB2 :: 2.17 HB3 :: 1.87 HG3 :: 2.36 HE21 :: 6.73(D) HE22 :: 7.33(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 :: 124.88(D) NE2 :: 111.57(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 G 0.28 R 0.19 D 0.11 F 0.02 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 173.55 CA :: 53.07(D) CB :: 43.90(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 :: 7.45(D) HA :: 4.85 HB2 :: 2.35 HB3 :: 2.68 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 :: 119.86(D) Ave N Shift Values>> N :: 120.73(4.2) E155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.65 I 0.18 K 0.07 M 0.06 HN Overlap>> E25 C Shift Assignments>> C :: 177.72 CA :: 56.73(D) CB :: 29.78(D) CG :: 37.36(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 :: 8.10(D) HA :: 4.92 HB2 :: 1.84 HB3 :: 2.00 HG3 :: 2.34 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.39(D) Ave N Shift Values>> N :: 120.68(3.68) V156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.93 A 0.03 V 0.02 C Shift Assignments>> C :: 175.38 CA :: 59.12(D) CB :: 37.38(D) CG1 :: 22.54(D) CG2 :: 16.79 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 :: 8.31(D) HA :: 5.18 HB :: 2.00 HG1 :: 0.75 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 :: 115.39(D) Ave N Shift Values>> N :: 121.02(4.96) I157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.65 CA :: 60.92(D) CB :: 39.53(D) CG1 :: 28.68 CG2 :: 18.12(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 :: 8.58(D) HA :: 3.87 HB :: 1.14 HG2 :: 0.37 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.02(D) Ave N Shift Values>> N :: 121.6(4.72) L158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.41 G 0.37 R 0.18 K 0.03 C Shift Assignments>> C :: 174.78 CA :: 55.25(D) CB :: 44.48(D) CG :: 27.75(D) CD1 :: 26.21(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 :: 7.80(D) HA :: 4.64 HB2 :: 1.58 HB3 :: 1.48 HG :: 1.61 HD1 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.19(D) Ave N Shift Values>> N :: 121.98(4.07) V159 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 :: 173.98 CA :: 60.95(D) CB :: 33.46(D) CG1 :: 22.92 CG2 :: 20.37 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 :: 8.69(D) HA :: 5.08 HB :: 1.76 HG1 :: 0.63 HG2 :: 0.68 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.12(D) Ave N Shift Values>> N :: 121.02(4.96) A160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.58 L 0.25 K 0.06 R 0.02 M 0.01 A 0.01 C Shift Assignments>> C :: 175.93 CA :: 50.19(D) CB :: 24.65(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.27(D) HA :: 4.88 HB :: 1.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.78(D) Ave N Shift Values>> N :: 123.23(3.7) A161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.24 I 0.07 V 0.01 C Shift Assignments>> C :: 177.24 CA :: 56.08(D) CB :: 18.36(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.35(D) HA :: 4.24 HB :: 1.52 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.02(D) Ave N Shift Values>> N :: 123.23(3.7) D162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.25 R 0.16 K 0.09 N 0.05 G 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.14 CA :: 52.92(D) CB :: 42.72(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 :: 7.50(D) HA :: 4.47 HB2 :: 2.88 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 :: 109.63(D) Ave N Shift Values>> N :: 120.73(4.2) L163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.35 R 0.02 C Shift Assignments>> C :: 178.84 CA :: 55.00(D) CB :: 45.87(D) CG :: 27.57(D) CD1 :: 24.66 CD2 :: 25.96(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 :: 7.98(D) HB2 :: 1.38 HG :: 1.25 HD1 :: 0.66 HD2 :: 0.54 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 :: 119.11(D) Ave N Shift Values>> N :: 121.98(4.07) T164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 C Shift Assignments>> CA :: 59.67(D) CB :: 68.70(D) CG2 :: 22.02 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 :: 8.92(D) HA :: 4.74 HB :: 4.40 HG2 :: 1.18 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 :: 115.15(D) Ave N Shift Values>> N :: 115.7(5.05) P165 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 I 0.07 F 0.02 C Shift Assignments>> CA :: 65.28(D) CD :: 43.71(S) 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>> HB2 :: 1.84 HG3 :: 1.59 HD3 :: 3.17 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) S166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.79(D) CB :: 61.94(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.68(D) HA :: 4.01 HB2 :: 3.75 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 :: 112.05(D) Ave N Shift Values>> N :: 116.3(3.95) E167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.5 I 0.41 M 0.04 K 0.03 C Shift Assignments>> C :: 179.06 CA :: 59.31(D) CB :: 30.22(D) CG :: 37.43(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 :: 7.43(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 :: 121.22(D) Ave N Shift Values>> N :: 120.68(3.68) T168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 65.66(D) CB :: 68.25(D) CG2 :: 22.82(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 :: 8.36(D) HA :: 3.77 HB :: 4.25 HG2 :: 1.17 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 :: 110.19(D) Ave N Shift Values>> N :: 115.7(5.05) A169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.37 L 0.02 V 0.01 C Shift Assignments>> C :: 177.44 CA :: 54.17(D) CB :: 19.67(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.62(D) HA :: 4.13 HB :: 1.32 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.89(D) Ave N Shift Values>> N :: 123.23(3.7) Q170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.42 E 0.35 Q 0.15 K 0.04 I 0.01 C Shift Assignments>> C :: 175.65 CA :: 55.97(D) CB :: 31.80(D) CG :: 35.19(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 :: 7.08(D) HA :: 4.12 HB2 :: 2.15 HE21 :: 7.00(D) HE22 :: 7.68(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 :: 111.44(D) NE2 :: 112.24(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 G 0.23 R 0.11 HN Overlap>> F73 C Shift Assignments>> CA :: 55.75(D) CB :: 43.93(D) CG :: 26.64 CD1 :: 26.08(D) CD2 :: 24.95(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 :: 7.10(D) HA :: 3.78 HB2 :: 1.15 HG :: 1.95 HD1 :: 0.89 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.67(D) Ave N Shift Values>> N :: 121.98(4.07) N172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.72 D 0.06 Y 0.06 E 0.04 M 0.04 F 0.03 HN Overlap>> Q35 A71 C Shift Assignments>> C :: 176.19 CA :: 51.89(D) CB :: 37.16(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 :: 7.77(D) HA :: 4.79 HB2 :: 2.84 HB3 :: 2.93 HD21 :: 6.95 HD22 :: 7.58 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.05(D) ND2 :: 110.07 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.48 L 0.38 K 0.1 C Shift Assignments>> C :: 178.03 CA :: 57.44(D) CB :: 41.38(D) CG :: 29.34 CD1 :: 25.81(D) CD2 :: 23.53(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 :: 8.30(D) HA :: 3.96 HB2 :: 1.60 HB3 :: 1.71 HG :: 1.38 HD1 :: 0.94 HD2 :: 0.87 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 :: 125.32(D) Ave N Shift Values>> N :: 121.98(4.07) K174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.53 R 0.41 M 0.02 G 0.02 C Shift Assignments>> C :: 177.70 CA :: 57.53(D) CB :: 32.16(D) CG :: 25.32(D) CD :: 28.68 CE :: 42.37 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 :: 7.88(D) HA :: 4.22 HB2 :: 1.82 HG3 :: 1.50 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 :: 115.21(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.59 M 0.25 R 0.04 Q 0.03 V 0.03 A 0.02 C Shift Assignments>> CA :: 54.63(D) CB :: 33.30(D) CG :: 23.71 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 :: 7.50(D) HA :: 4.36 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 :: 115.57(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.16 CA :: 62.25(D) CB :: 32.55(D) CG1 :: 22.57 CG2 :: 22.50(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 :: 7.15(D) HA :: 4.33 HB :: 1.84 HG1 :: 0.85 HG2 :: 0.58 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 :: 116.98(D) Ave N Shift Values>> N :: 121.02(4.96) L177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.39 A 0.38 L 0.22 C Shift Assignments>> C :: 176.80 CA :: 54.73(D) CB :: 44.02(D) CD1 :: 21.21 CD2 :: 25.69 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 :: 8.79(D) HA :: 4.24 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 :: 123.07(D) Ave N Shift Values>> N :: 121.98(4.07) G178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 180.11 CA :: 45.40(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.97(D) HA2 :: 3.90 HA3 :: 3.74 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.77(D) Ave N Shift Values>> N :: 109.91(4.29) F179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.48 F 0.28 Y 0.23 C Shift Assignments>> C :: 174.20 CA :: 56.43(D) CB :: 44.15(D) CD1 :: 132.58 CE1 :: 130.29 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 :: 7.80(D) HA :: 5.60 HD1 :: 6.85 HE1 :: 6.85 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 :: 114.83(D) Ave N Shift Values>> N :: 120.69(4.18) I180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.93 G 0.03 A 0.02 C Shift Assignments>> C :: 176.08 CA :: 60.04(D) CB :: 41.13(D) CG1 :: 26.43 CG2 :: 20.77(D) CD1 :: 16.61 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 :: 8.80(D) HA :: 5.48 HB :: 1.55 HG2 :: 0.90 HD1 :: 0.66 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 :: 119.43(D) Ave N Shift Values>> N :: 121.6(4.72) T181 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.89 A 0.1 C Shift Assignments>> C :: 177.94 CA :: 58.64(D) CB :: 72.10(D) CG2 :: 20.12 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 :: 8.24(D) HA :: 6.35(S) HB :: 4.43 HG2 :: 1.02 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 :: 111.42(D) Ave N Shift Values>> N :: 115.7(5.05) D182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.2 F 0.16 D 0.13 Y 0.12 R 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 178.15 CA :: 56.71(D) CB :: 41.50(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) 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 :: 124.07(D) Ave N Shift Values>> N :: 120.73(4.2) A183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.12 L 0.05 C Shift Assignments>> CA :: 50.91(D) CB :: 20.89(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.57(D) HA :: 4.84 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.95(D) Ave N Shift Values>> N :: 123.23(3.7) G184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 172.93 CA :: 45.23(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.44(D) HA2 :: 4.59 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.75(D) Ave N Shift Values>> N :: 109.91(4.29) G185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.3 G 0.2 D 0.04 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.84 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.79(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.06(D) Ave N Shift Values>> N :: 109.91(4.29) R186 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 173.67 CA :: 60.74(D) CB :: 68.44(D) CG2 :: 21.99 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>> HA :: 4.40 HB :: 4.58 HG2 :: 1.09 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) S188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.51(D) CB :: 64.83(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.44(D) HA :: 4.42 HB3 :: 3.83 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.09(D) Ave N Shift Values>> N :: 116.3(3.95) H189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.99 C Shift Assignments>> C :: 176.94 CA :: 60.68(D) CB :: 28.94(D) CD2 :: 124.14 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 :: 9.17(D) HA :: 4.18 HB2 :: 3.06 HB3 :: 3.23 HD2 :: 6.35 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.87(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 67.07 CB :: 67.88 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 :: 8.45(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.30(D) Ave N Shift Values>> N :: 115.7(5.05) S191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 62.98(D) CB :: 63.01 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) I192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 179.74 CA :: 64.94(D) CB :: 38.44(D) CG2 :: 17.63 CD1 :: 13.27 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 :: 7.97(D) HA :: 3.47 HB :: 1.77 HG2 :: 0.85 HD1 :: 0.74 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 :: 120.97(D) Ave N Shift Values>> N :: 121.6(4.72) M193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 Q 0.22 K 0.17 E 0.06 R 0.03 HN Overlap>> A73 C Shift Assignments>> C :: 178.53 CA :: 58.27(D) CB :: 31.44(D) CG :: 32.37 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 :: 8.34(D) HA :: 4.00 HB3 :: 1.58 HG3 :: 1.94 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 :: 120.55(D) Ave N Shift Values>> N :: 120.1(3.88) A194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.16 I 0.11 V 0.03 T 0.01 C Shift Assignments>> C :: 179.85 CA :: 56.68(D) CB :: 18.59(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.50(D) HA :: 3.81 HB :: 1.40 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.80(D) Ave N Shift Values>> N :: 123.23(3.7) R195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 R 0.32 K 0.02 HN Overlap>> F48 C Shift Assignments>> C :: 180.76 CA :: 60.32(D) CB :: 30.96(D) CG :: 28.96 CD :: 44.59(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 :: 8.14(D) HA :: 4.25 HB3 :: 2.05 HD3 :: 3.84 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 :: 115.85(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) S196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.42 CA :: 61.94(D) CB :: 63.33(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.01(D) HA :: 4.29 HB2 :: 4.11 HB3 :: 4.06 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.20(D) Ave N Shift Values>> N :: 116.3(3.95) L197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.69 G 0.13 A 0.1 K 0.04 HN Overlap>> V130 C Shift Assignments>> C :: 175.39 CA :: 54.69(D) CB :: 43.37(D) CG :: 26.92(D) CD2 :: 22.39(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 :: 7.55(D) HA :: 4.38 HB3 :: 1.68 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 :: 120.25(D) Ave N Shift Values>> N :: 121.98(4.07) E198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.25 L 0.15 Q 0.15 K 0.13 H 0.1 I 0.09 E 0.08 C Shift Assignments>> CA :: 57.72(D) CB :: 27.31(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 :: 7.81(D) HA :: 3.79 HB2 :: 2.24 HG3 :: 2.20 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 :: 116.07(D) Ave N Shift Values>> N :: 120.68(3.68) L199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.63 L 0.17 R 0.08 D 0.07 N 0.01 HN Overlap>> I133 L144 C Shift Assignments>> CA :: 51.27(D) CB :: 44.00 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 :: 8.13(D) HA :: 4.86 HD1 :: 0.82 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 :: 119.48(D) Ave N Shift Values>> N :: 121.98(4.07) P200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.90 CA :: 62.23(D) CB :: 32.79(D) CG :: 27.62 CD :: 49.63 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 :: 4.20 HB2 :: 1.65 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) A201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.39 A 0.38 M 0.16 K 0.03 HN Overlap>> R17 C Shift Assignments>> C :: 176.09 CA :: 51.98(D) CB :: 22.33(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.67(D) HA :: 5.48 HB :: 0.87 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.76(D) Ave N Shift Values>> N :: 123.23(3.7) I202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.95 G 0.04 C Shift Assignments>> C :: 174.30 CA :: 61.24(D) CB :: 42.04(D) CG2 :: 16.85 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 :: 7.76(D) HA :: 4.61 HB :: 1.25 HG2 :: 0.63 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.10(D) Ave N Shift Values>> N :: 121.6(4.72) V203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.61 A 0.34 I 0.03 C Shift Assignments>> C :: 176.80 CA :: 57.89(D) CB :: 34.21(D) CG1 :: 20.13 CG2 :: 17.75(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 :: 8.33(D) HA :: 5.28 HB :: 2.26 HG1 :: 0.66 HG2 :: 0.41 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 :: 116.02(D) Ave N Shift Values>> N :: 121.02(4.96) G204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.66 A 0.14 N 0.07 G 0.05 D 0.02 C Shift Assignments>> C :: 176.32 CA :: 48.83(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.37(D) HA2 :: 3.63 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.14(D) Ave N Shift Values>> N :: 109.91(4.29) T205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.69 CA :: 63.44(D) CB :: 71.22(D) CG2 :: 22.90(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 :: 7.80(D) HA :: 4.53 HB :: 4.15 HG2 :: 0.85 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 :: 106.12(D) Ave N Shift Values>> N :: 115.7(5.05) G206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 176.24 CA :: 47.56(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.97(D) HA2 :: 4.53 HA3 :: 3.51 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.28(D) Ave N Shift Values>> N :: 109.91(4.29) S207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.11(D) CB :: 64.17(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.77(D) HA :: 4.73 HB2 :: 3.65 HB3 :: 4.05 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 :: 112.50(D) Ave N Shift Values>> N :: 116.3(3.95) V208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.50 CA :: 67.25(D) CB :: 30.55(D) CG1 :: 23.33 CG2 :: 20.11 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 :: 7.85(D) HA :: 3.79 HB :: 2.18 HG1 :: 0.84 HG2 :: 0.75 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 :: 127.36(D) Ave N Shift Values>> N :: 121.02(4.96) T209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.00 CA :: 64.97(D) CB :: 69.51(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.74(D) HA :: 3.73 HG2 :: 1.04 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 :: 112.88(D) Ave N Shift Values>> N :: 115.7(5.05) S210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> T59 C Shift Assignments>> CA :: 59.38(D) CB :: 64.53(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.63(D) HA :: 4.63 HB2 :: 3.92 HB3 :: 3.94 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 :: 114.17(D) Ave N Shift Values>> N :: 116.3(3.95) Q211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 E 0.32 Q 0.13 K 0.01 I 0.01 HN Overlap>> K49 C Shift Assignments>> C :: 174.48 CA :: 56.86(D) CB :: 32.62(D) CG :: 34.99(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 :: 7.65(D) HA :: 4.43 HB2 :: 2.29 HG2 :: 2.15 HE21 :: 6.94 HE22 :: 6.76 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 :: 119.06(D) NE2 :: 111.27 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.63 K 0.15 I 0.14 M 0.05 HN Overlap>> K72 C Shift Assignments>> C :: 172.99 CA :: 61.21(D) CB :: 34.88(D) CG1 :: 23.32(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 :: 7.30(D) HA :: 4.17 HB :: 1.81 HG1 :: 0.75 HG2 :: 0.84 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 :: 118.57(D) Ave N Shift Values>> N :: 121.02(4.96) K213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.65 R 0.24 G 0.05 M 0.03 A 0.01 C Shift Assignments>> C :: 175.95 CA :: 53.91(D) CB :: 35.15(D) CG :: 24.37(D) CD :: 29.08(D) CE :: 42.47(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 :: 8.86(D) HA :: 4.50 HB3 :: 1.70 HE3 :: 2.99 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.05(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 F 0.22 D 0.19 N 0.16 L 0.07 I 0.03 E 0.03 C Shift Assignments>> C :: 176.84 CA :: 55.78(D) CB :: 39.09(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 :: 8.46(D) HA :: 4.16 HB2 :: 2.63 HD21 :: 6.94(D) HD22 :: 7.45(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 :: 118.16(D) ND2 :: 111.78(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.32 Y 0.31 I 0.1 D 0.09 L 0.08 K 0.04 N 0.02 E 0.01 C Shift Assignments>> CA :: 57.68(D) CB :: 39.80(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 :: 8.84(D) HA :: 4.22 HB2 :: 3.16 HB3 :: 2.95 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 :: 116.34(D) Ave N Shift Values>> N :: 120.73(4.2) D216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.22 R 0.18 D 0.11 F 0.1 Y 0.08 N 0.01 HN Overlap>> Q245 C Shift Assignments>> CA :: 56.32(D) CB :: 42.23(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 :: 7.89(D) HA :: 4.75 HB2 :: 2.72 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 :: 120.84(D) Ave N Shift Values>> N :: 120.73(4.2) Y217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.32 I 0.21 L 0.03 K 0.02 D 0.02 E 0.01 C Shift Assignments>> C :: 174.13 CA :: 59.23(D) CB :: 39.83(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 :: 8.54(D) HA :: 4.42 HB3 :: 3.14 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.76(D) Ave N Shift Values>> N :: 120.79(4.69) L218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.3 C Shift Assignments>> C :: 176.40 CA :: 52.83(D) CB :: 45.74(D) CG :: 27.02 CD1 :: 25.36 CD2 :: 25.46 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 :: 8.58(D) HA :: 5.44 HB2 :: 1.65 HG :: 1.56 HD1 :: 0.72 HD2 :: 0.53 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 :: 126.80(D) Ave N Shift Values>> N :: 121.98(4.07) I219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 174.80 CA :: 61.25(D) CB :: 39.83(D) CG2 :: 16.62 CD1 :: 15.49 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 :: 7.95(D) HA :: 4.21 HB :: 1.66 HG2 :: 0.09 HD1 :: 0.48 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 :: 114.56(D) Ave N Shift Values>> N :: 121.6(4.72) L220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.52 G 0.37 R 0.09 C Shift Assignments>> C :: 172.68 CA :: 53.66(D) CB :: 44.18(D) CG :: 26.89 CD1 :: 25.20(D) CD2 :: 26.55(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 :: 9.07(D) HA :: 4.29 HG :: 1.54 HD1 :: 0.68 HD2 :: 0.64 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 :: 130.27(D) Ave N Shift Values>> N :: 121.98(4.07) D221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.27 L 0.14 F 0.07 Y 0.06 K 0.05 C Shift Assignments>> C :: 175.57 CA :: 52.98(D) CB :: 40.56(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 :: 8.59(D) HA :: 5.00 HB3 :: 2.22 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 :: 124.41(D) Ave N Shift Values>> N :: 120.73(4.2) A222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.18 C Shift Assignments>> C :: 175.47 CA :: 51.88(D) CB :: 18.35(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.38(D) HA :: 4.49 HB :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.87(D) Ave N Shift Values>> N :: 123.23(3.7) V223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.47 CA :: 65.51(D) CB :: 32.82(D) CG1 :: 21.59 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 :: 8.69(D) HA :: 4.07 HB :: 2.19 HG1 :: 0.83 HG2 :: 0.94 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 :: 117.70(D) Ave N Shift Values>> N :: 121.02(4.96) N224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.28 Y 0.09 F 0.08 L 0.07 C Shift Assignments>> C :: 175.40 CA :: 53.37(D) CB :: 39.36(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 :: 9.51(D) HA :: 4.61 HB2 :: 2.71 HB3 :: 2.62 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 :: 116.95(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 E 0.15 M 0.13 Y 0.08 K 0.04 F 0.04 D 0.03 Q 0.01 HN Overlap>> K69 E86 C Shift Assignments>> C :: 172.48 CA :: 53.15(D) CB :: 36.38(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 :: 7.58(D) HA :: 4.18 HB2 :: 2.24 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 :: 116.95(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.74 Q 0.13 E 0.1 HN Overlap>> T62 C Shift Assignments>> CA :: 55.69(D) CB :: 33.72(D) CG :: 34.01(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.70(D) HA :: 4.73 HB2 :: 1.75 HB3 :: 1.57 HG2 :: 1.83 HG3 :: 1.98 HE21 :: 6.54(D) HE22 :: 7.17(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.30(D) NE2 :: 109.55(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V227 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 :: 174.96 CA :: 60.80(D) CB :: 33.86(D) CG1 :: 22.51(D) CG2 :: 20.39 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 :: 7.85(D) HA :: 4.76 HB :: 1.79 HG1 :: 0.73 HG2 :: 0.62 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 :: 120.97(D) Ave N Shift Values>> N :: 121.02(4.96) Y228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 174.84 CA :: 57.28(D) CB :: 39.44(D) CE1 :: 118.23 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 :: 9.00(D) HA :: 4.60 HB2 :: 2.87 HE1 :: 6.73 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 :: 126.40(D) Ave N Shift Values>> N :: 120.79(4.69) V229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.62 CA :: 61.98(D) CB :: 32.85(D) CG1 :: 21.99 CG2 :: 21.54(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 :: 8.46(D) HA :: 4.26 HB :: 1.95 HG1 :: 0.91 HG2 :: 0.70 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 :: 122.91(D) Ave N Shift Values>> N :: 121.02(4.96) N230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.31 Y 0.21 F 0.15 D 0.14 E 0.08 L 0.03 I 0.02 M 0.02 C Shift Assignments>> CA :: 55.02(D) CB :: 38.18(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 :: 10.03(D) HA :: 4.85 HB2 :: 2.94 HB3 :: 2.85 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 :: 124.15(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.92 CA :: 62.15(D) CB :: 33.26(D) CG :: 26.09 CD :: 50.76 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 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) T232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 60.97(D) CB :: 70.92(D) CG2 :: 22.46 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 :: 7.74(D) HA :: 4.31 HB :: 4.72 HG2 :: 1.42 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 :: 108.65(D) Ave N Shift Values>> N :: 115.7(5.05) N233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.21 E 0.17 I 0.09 N 0.07 D 0.05 M 0.03 L 0.02 K 0.01 HN Overlap>> L138 C Shift Assignments>> CA :: 56.87(D) CB :: 37.93(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 :: 8.83(D) HA :: 4.24 HB2 :: 2.81 HB3 :: 2.70 HD21 :: 6.84(D) HD22 :: 7.58(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 :: 118.91(D) ND2 :: 111.82(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 E 0.44 K 0.06 M 0.01 Q 0.01 HN Overlap>> D37 C Shift Assignments>> C :: 179.07 CA :: 59.97(D) CB :: 29.40(D) CG :: 36.81(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 :: 8.53(D) HA :: 4.08 HB2 :: 1.93 HB3 :: 2.04 HG3 :: 2.28 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.34(D) Ave N Shift Values>> N :: 120.68(3.68) V235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.76 CA :: 66.71(D) CB :: 31.91(D) CG1 :: 23.62(D) CG2 :: 21.66 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 :: 7.18(D) HA :: 3.48 HB :: 2.00 HG1 :: 0.95 HG2 :: 0.41 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 :: 121.55(D) Ave N Shift Values>> N :: 121.02(4.96) I236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> A91 C Shift Assignments>> CA :: 67.14(D) CB :: 38.09(D) CG2 :: 17.72(D) CD1 :: 13.93 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 :: 8.01(D) HA :: 3.47 HB :: 1.88 HG2 :: 0.91 HD1 :: 0.69 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 :: 120.65(D) Ave N Shift Values>> N :: 121.6(4.72) D237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.26 K 0.12 L 0.1 I 0.09 D 0.07 R 0.01 N 0.01 HN Overlap>> I90 R131 C Shift Assignments>> C :: 179.79 CA :: 58.04(D) CB :: 40.54(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 :: 8.25(D) HA :: 4.28 HB2 :: 2.67 HB3 :: 2.56 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 :: 117.87(D) Ave N Shift Values>> N :: 120.73(4.2) K238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.94 M 0.05 HN Overlap>> E63 C Shift Assignments>> C :: 180.80 CA :: 59.67(D) CB :: 32.60(D) CG :: 25.21(D) CD :: 29.61(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 :: 7.68(D) HA :: 4.07 HB2 :: 1.96 HB3 :: 1.90 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.61(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.78 A 0.21 C Shift Assignments>> CA :: 55.56(D) CB :: 29.82(D) CG :: 30.87 CE :: 16.15 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 :: 8.46(D) HA :: 4.76 HE :: 1.94 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 :: 117.31(D) Ave N Shift Values>> N :: 120.1(3.88) R240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.74 K 0.11 G 0.11 L 0.02 C Shift Assignments>> C :: 178.81 CA :: 59.27(D) CB :: 29.66(D) CG :: 27.41(D) CD :: 43.19(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 :: 9.03(D) HA :: 4.08 HB2 :: 1.80 HB3 :: 2.04 HG2 :: 1.48 HG3 :: 1.67 HD2 :: 2.76 HD3 :: 2.86 HE :: 6.48 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 :: 123.79(D) NE :: 83.39 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A241 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.32 I 0.05 C Shift Assignments>> CA :: 55.36(D) CB :: 17.89(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.43(D) HA :: 4.28 HB :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.65(D) Ave N Shift Values>> N :: 123.23(3.7) V242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.67 P 0.24 I 0.07 HN Overlap>> V130 C Shift Assignments>> CA :: 66.58(D) CB :: 31.86 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 :: 7.66(D) HA :: 3.76 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 :: 120.28(D) Ave N Shift Values>> N :: 121.02(4.96) Q243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.28 K 0.28 E 0.23 I 0.09 R 0.04 M 0.04 P 0.01 C Shift Assignments>> CA :: 59.80(D) CB :: 29.13(D) CG :: 34.23(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.40(D) HA :: 3.90 HE21 :: 6.78(D) HE22 :: 7.50(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 :: 119.82(D) NE2 :: 111.01(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.53 I 0.31 K 0.08 M 0.04 Q 0.02 C Shift Assignments>> C :: 175.26 CA :: 59.30(D) CB :: 29.77(D) CG :: 36.56(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 :: 8.06(D) HA :: 4.09 HB3 :: 2.03 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.70(D) Ave N Shift Values>> N :: 120.68(3.68) Q245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.33 Q 0.32 E 0.15 R 0.09 I 0.04 M 0.03 HN Overlap>> D216 C Shift Assignments>> CA :: 59.02(D) CB :: 28.49(D) CG :: 33.83(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 :: 7.92(D) HA :: 4.13 HB3 :: 2.27 HG2 :: 2.39 HG3 :: 2.48 HE21 :: 6.69(D) HE22 :: 7.54(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.79(D) NE2 :: 110.94(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.08 CA :: 65.68(D) CB :: 32.26(D) CG1 :: 22.83(D) CG2 :: 21.62 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 :: 8.41(D) HA :: 3.82 HB :: 2.20 HG1 :: 1.05 HG2 :: 0.97 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.64(D) Ave N Shift Values>> N :: 121.02(4.96) A247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.42 I 0.03 C Shift Assignments>> CA :: 54.99(D) CB :: 18.45(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.12(D) HA :: 4.25 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.50(D) Ave N Shift Values>> N :: 123.23(3.7) S248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> S51 C Shift Assignments>> CA :: 61.10(D) CB :: 63.42(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.15(D) HA :: 4.32 HB3 :: 4.02 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 :: 114.71(D) Ave N Shift Values>> N :: 116.3(3.95) E249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.56 I 0.27 K 0.08 M 0.05 Q 0.02 HN Overlap>> L85 C Shift Assignments>> CA :: 58.82(D) CB :: 29.89(D) CG :: 36.73(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 :: 4.17 HB3 :: 2.10 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.34(D) Ave N Shift Values>> N :: 120.68(3.68) K250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.58 R 0.35 M 0.03 G 0.02 C Shift Assignments>> CA :: 58.74(D) CB :: 32.68(D) CG :: 25.30(D) CD :: 29.39(D) CE :: 42.37(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 :: 8.00(D) HA :: 4.11 HB3 :: 1.90 HG2 :: 1.47 HG3 :: 1.58 HD3 :: 1.68 HE3 :: 2.99 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.59(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A251 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 M 0.44 I 0.01 HN Overlap>> L85 K40 C Shift Assignments>> C :: 177.59 CA :: 54.40(D) CB :: 18.66(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.97(D) HA :: 4.21 HB :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.40(D) Ave N Shift Values>> N :: 123.23(3.7) E252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.54 I 0.17 K 0.12 M 0.07 Q 0.06 HN Overlap>> K24 C Shift Assignments>> CA :: 58.27(D) CB :: 29.82(D) CG :: 36.26(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 :: 8.04(D) HA :: 4.13 HB3 :: 2.07 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.31(D) Ave N Shift Values>> N :: 120.68(3.68) L253 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.79 R 0.16 G 0.02 C Shift Assignments>> C :: 176.46 CA :: 56.91(D) CB :: 42.21(D) CG :: 27.30(D) CD1 :: 25.18(D) CD2 :: 23.65(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 :: 7.91(D) HA :: 4.18 HB2 :: 1.59 HB3 :: 1.76 HG :: 1.74 HD1 :: 0.92 HD2 :: 0.87 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 :: 120.31(D) Ave N Shift Values>> N :: 121.98(4.07) A254 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 M 0.36 HN Overlap>> E32 C Shift Assignments>> CA :: 53.85(D) CB :: 18.75(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.82(D) HA :: 4.19 HB :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.45(D) Ave N Shift Values>> N :: 123.23(3.7) K255 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.56 R 0.37 M 0.04 G 0.01 HN Overlap>> L115 Q21 C Shift Assignments>> C :: 176.07 CA :: 57.37(D) CB :: 33.01(D) CG :: 25.30(D) CD :: 29.51(D) CE :: 42.33(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 :: 7.61(D) HA :: 4.21 HB3 :: 1.87 HG2 :: 1.44 HG3 :: 1.55 HD3 :: 1.69 HE3 :: 2.97 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.40(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L256 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.79 R 0.15 G 0.03 A 0.01 HN Overlap>> D129 C Shift Assignments>> CA :: 55.73(D) CB :: 42.44(D) CG :: 27.14(D) CD1 :: 25.28(D) CD2 :: 23.50(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 :: 7.76(D) HA :: 4.27 HB2 :: 1.60 HB3 :: 1.73 HG :: 1.71 HD1 :: 0.93 HD2 :: 0.86 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 :: 120.45(D) Ave N Shift Values>> N :: 121.98(4.07) K257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.61 R 0.31 M 0.04 G 0.01 C Shift Assignments>> C :: 176.40 CA :: 56.75(D) CB :: 33.32(D) CG :: 24.93(D) CD :: 29.32(D) CE :: 42.25(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 :: 4.29 HB2 :: 1.86 HB3 :: 1.79 HG3 :: 1.44 HD3 :: 1.68 HE3 :: 2.98 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.13(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.23 K 0.17 F 0.1 Y 0.08 N 0.07 R 0.05 C Shift Assignments>> C :: 175.15 CA :: 54.81(D) CB :: 41.37(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 :: 8.13(D) HA :: 4.59 HB2 :: 2.71 HB3 :: 2.61 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 :: 120.78(D) Ave N Shift Values>> N :: 120.73(4.2) R259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.65 G 0.19 K 0.15 C Shift Assignments>> CA :: 57.66(D) CB :: 31.82(D) CG :: 27.29(D) CD :: 43.78(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 :: 7.65(D) HA :: 4.14 HB2 :: 1.71 HB3 :: 1.83 HG3 :: 1.58 HD3 :: 3.17 HE :: 7.12 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.88(D) NE :: 85.34 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.49 F 0.38 G 0.12 C Shift Assignments>> C :: 172.81 CA :: 57.76(D) CB :: 43.16(D) CD1 :: 132.47 CE1 :: 131.72 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 :: 8.97(D) HA :: 4.75 HB3 :: 3.10 HD1 :: 7.22 HE1 :: 7.32 HZ :: 7.23 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.22(D) Ave N Shift Values>> N :: 120.69(4.18) Q3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.38 K 0.26 H 0.12 R 0.11 E 0.04 Q 0.03 V 0.01 C Shift Assignments>> C :: 173.67 CA :: 54.10(D) CB :: 33.08(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 :: 7.62(D) HA :: 5.69 HB2 :: 1.95 HB3 :: 2.04 HE21 :: 7.35 HE22 :: 6.61 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 :: 123.14(D) NE2 :: 110.63 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.72 E 0.2 Q 0.06 C Shift Assignments>> C :: 173.45 CA :: 55.92(D) CB :: 34.57(D) CG :: 35.03(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.52(D) HA :: 4.36 HB3 :: 1.81 HG3 :: 2.35 HE21 :: 7.37 HE22 :: 6.79 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 :: 119.68(D) NE2 :: 109.79 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.51 M 0.44 I 0.02 C Shift Assignments>> C :: 176.02 CA :: 55.18(D) CB :: 32.72(D) CG :: 37.24(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 :: 8.23(D) HA :: 5.40 HB3 :: 1.80 HG3 :: 2.10 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.44(D) Ave N Shift Values>> N :: 120.68(3.68) V6 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>> CA :: 60.67(D) CB :: 35.44(D) CG1 :: 21.84(D) CG2 :: 20.71(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 :: 9.19(D) HA :: 4.49 HB :: 2.09 HG1 :: 1.02 HG2 :: 0.84 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 :: 121.05(D) Ave N Shift Values>> N :: 121.02(4.96) T7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> K29 C Shift Assignments>> C :: 174.32 CA :: 62.09(D) CB :: 69.68(D) CG2 :: 21.28(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 :: 8.09(D) HA :: 4.84 HB :: 3.83 HG2 :: 0.89 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.09(D) Ave N Shift Values>> N :: 115.7(5.05) I8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.33 CA :: 62.00(D) CB :: 37.38(D) CG1 :: 28.00(D) CG2 :: 17.84(D) CD1 :: 13.85 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 :: 8.64(D) HA :: 3.91 HB :: 2.05 HG2 :: 0.80 HG12 :: 1.55 HG13 :: 1.14 HD1 :: 0.67 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 :: 126.35(D) Ave N Shift Values>> N :: 121.6(4.72) T9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.18 CA :: 61.78(D) CB :: 69.78(D) CG2 :: 21.77(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 :: 8.63(D) HA :: 4.47 HB :: 4.36 HG2 :: 1.13 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 :: 120.17(D) Ave N Shift Values>> N :: 115.7(5.05) A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.12 C Shift Assignments>> CA :: 51.17(D) CB :: 18.78(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.33(D) HA :: 4.48 HB :: 1.27 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.53(D) Ave N Shift Values>> N :: 123.23(3.7) P11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.93 CA :: 65.46(D) CB :: 32.30(D) CG :: 27.62(D) CD :: 50.35 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 :: 4.10 HB2 :: 2.28 HB3 :: 1.86 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) N12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 D 0.21 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.42 CA :: 52.95(D) CB :: 38.74(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 :: 8.60(D) HA :: 4.74 HB2 :: 2.67 HB3 :: 2.61 HD21 :: 7.30 HD22 :: 6.75 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 :: 114.27(D) ND2 :: 112.17 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.59(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.89(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.32(D) Ave N Shift Values>> N :: 109.91(4.29) L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.84 R 0.11 K 0.02 C Shift Assignments>> C :: 174.77 CA :: 53.78(D) CB :: 41.17(D) CG :: 28.25 CD1 :: 24.66 CD2 :: 25.48 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 :: 7.95(D) HA :: 4.40 HB2 :: 1.92 HB3 :: 0.98 HG :: 1.21 HD1 :: 0.61 HD2 :: 0.47 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.61(D) Ave N Shift Values>> N :: 121.98(4.07) H15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.99 C Shift Assignments>> C :: 174.20 CA :: 55.25(D) CB :: 30.54(D) CD2 :: 119.70 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 :: 7.03(D) HA :: 4.61 HB2 :: 3.33 HB3 :: 3.08 HD2 :: 7.15 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 :: 120.90(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.97 CA :: 68.19(D) CB :: 68.99(D) CG2 :: 22.70(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 :: 7.81(D) HA :: 3.72 HB :: 4.13 HG2 :: 1.21 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.21(D) Ave N Shift Values>> N :: 115.7(5.05) R17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 R 0.33 L 0.08 K 0.05 HN Overlap>> A201 C Shift Assignments>> CA :: 61.56(D) CB :: 27.41 CG :: 27.63 CD :: 43.50 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 :: 8.67 HA :: 4.25 HB3 :: 1.96 HG2 :: 1.71 HG3 :: 1.56 HD3 :: 3.24 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 :: 118.78 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.49 P 0.39 I 0.1 C Shift Assignments>> CA :: 65.49(D) CB :: 31.42(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 :: 4.46 HB2 :: 1.68 HB3 :: 2.16 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) A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.25 I 0.07 V 0.01 C Shift Assignments>> C :: 178.48 CA :: 55.91(D) CB :: 18.07(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.24(D) HA :: 3.81 HB :: 1.19 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.15(D) Ave N Shift Values>> N :: 123.23(3.7) A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.3 I 0.05 V 0.01 C Shift Assignments>> C :: 180.02 CA :: 55.59(D) CB :: 18.22(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.23(D) HA :: 4.01 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.25(D) Ave N Shift Values>> N :: 123.23(3.7) Q21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.33 Q 0.32 E 0.13 R 0.11 I 0.04 M 0.03 P 0.01 HN Overlap>> L115 K255 C Shift Assignments>> C :: 177.48 CA :: 59.09(D) CB :: 28.36(D) CG :: 33.69(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 :: 7.59(D) HA :: 3.96 HB2 :: 2.17 HB3 :: 2.20 HG2 :: 2.38 HG3 :: 2.48 HE21 :: 7.70 HE22 :: 6.78 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 :: 117.50(D) NE2 :: 111.00 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.55 F 0.44 C Shift Assignments>> CA :: 62.43(D) CB :: 39.72(D) CD1 :: 132.51 CE1 :: 131.53 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 :: 8.42(D) HA :: 3.86 HB2 :: 2.97 HB3 :: 3.50 HD1 :: 7.10 HE1 :: 7.24 HZ :: 6.88 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.10(D) Ave N Shift Values>> N :: 120.69(4.18) V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> E66 C Shift Assignments>> C :: 178.23 CA :: 65.48(D) CB :: 32.26(D) CG1 :: 22.03 CG2 :: 23.39 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 :: 8.31(D) HA :: 4.12 HB :: 2.09 HG1 :: 0.89 HG2 :: 1.12 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.08(D) Ave N Shift Values>> N :: 121.02(4.96) K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.54 R 0.4 G 0.02 M 0.01 HN Overlap>> E252 C Shift Assignments>> C :: 180.06 CA :: 60.62(D) CB :: 32.69(D) CG :: 25.76(D) CD :: 29.96 CE :: 42.17(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 :: 8.02(D) HA :: 3.78 HB3 :: 1.92 HG2 :: 1.36 HG3 :: 1.59 HD3 :: 1.64 HE3 :: 2.93 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 :: 118.39(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 I 0.43 K 0.05 M 0.02 HN Overlap>> E155 C Shift Assignments>> C :: 180.12 CA :: 59.17(D) CB :: 29.30(D) CG :: 37.18(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 :: 8.07(D) HA :: 3.93 HB2 :: 2.00 HB3 :: 1.95 HG2 :: 2.31 HG3 :: 2.48 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.39(D) Ave N Shift Values>> N :: 120.68(3.68) A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.29 I 0.05 V 0.02 L 0.01 C Shift Assignments>> C :: 178.83 CA :: 55.87(D) CB :: 18.92(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.74(D) HA :: 3.92 HB :: 1.18 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.40(D) Ave N Shift Values>> N :: 123.23(3.7) K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.7 R 0.26 M 0.02 C Shift Assignments>> C :: 177.50 CA :: 59.16(D) CB :: 32.98(D) CG :: 25.83 CD :: 29.23 CE :: 41.42 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 :: 7.98(D) HA :: 3.88 HE3 :: 3.06 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.44(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 172.95 CA :: 45.39(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.51(D) HA2 :: 3.33 HA3 :: 3.86 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.51(D) Ave N Shift Values>> N :: 109.91(4.29) F29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.5 F 0.49 C Shift Assignments>> CA :: 57.73(D) CB :: 40.51(D) CD1 :: 132.62 CE1 :: 130.95 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 :: 7.33(D) HA :: 4.70 HB3 :: 2.72 HD1 :: 7.26 HE1 :: 6.86 HZ :: 6.59 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.28(D) Ave N Shift Values>> N :: 120.69(4.18) T30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.34 CA :: 64.19(D) CB :: 69.56(D) CG2 :: 22.19(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 :: 10.90(S) HA :: 4.15 HB :: 4.20 HG2 :: 1.25 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.65(D) Ave N Shift Values>> N :: 115.7(5.05) S31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 173.06 CA :: 61.59(D) CB :: 65.88(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.04(D) HA :: 4.38 HB2 :: 3.15 HB3 :: 3.48 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.81(D) Ave N Shift Values>> N :: 116.3(3.95) E32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.57 M 0.2 K 0.09 Q 0.06 I 0.05 HN Overlap>> A254 C Shift Assignments>> C :: 177.45 CA :: 56.44(D) CB :: 30.60(D) CG :: 36.29(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 :: 7.83(D) HA :: 4.38 HB3 :: 2.04 HG3 :: 2.30 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 :: 121.37(D) Ave N Shift Values>> N :: 120.68(3.68) I33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.92 G 0.07 C Shift Assignments>> C :: 175.53 CA :: 60.81(D) CB :: 41.97(D) CG1 :: 25.91 CG2 :: 18.76(D) CD1 :: 16.65 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 :: 9.12(D) HA :: 5.09 HB :: 1.36 HG2 :: 0.68 HD1 :: 0.77 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 :: 128.13(D) Ave N Shift Values>> N :: 121.6(4.72) T34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.97 CA :: 61.68(D) CB :: 71.84(D) CG2 :: 22.05(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.64(D) HA :: 4.92 HB :: 3.84 HG2 :: 1.06 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 :: 124.67(D) Ave N Shift Values>> N :: 115.7(5.05) V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> V61 C Shift Assignments>> C :: 174.52 CA :: 61.17(D) CB :: 33.70(D) CG1 :: 22.06(D) CG2 :: 22.09 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 :: 9.29(D) HA :: 4.80 HB :: 1.82 HG1 :: 0.96 HG2 :: 0.67 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.86(D) Ave N Shift Values>> N :: 121.02(4.96) T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> L137 C Shift Assignments>> C :: 174.19 CA :: 61.26(D) CB :: 71.44(D) CG2 :: 21.07(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 :: 8.88(D) HA :: 5.43 HB :: 3.72 HG2 :: 1.01 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 :: 121.96(D) Ave N Shift Values>> N :: 115.7(5.05) S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 57.17(D) CB :: 65.48(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.02(D) HA :: 4.72 HB3 :: 3.58 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.99(D) Ave N Shift Values>> N :: 116.3(3.95) N38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 Y 0.18 D 0.13 F 0.12 E 0.08 L 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 175.36 CA :: 54.59(D) CB :: 38.04(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 :: 9.64(D) HA :: 4.36 HB2 :: 3.06 HB3 :: 2.78 HD21 :: 7.50 HD22 :: 6.91 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 :: 126.93(D) ND2 :: 112.90 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 173.59 CA :: 45.75(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.53(D) HA2 :: 4.09 HA3 :: 3.55 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.96(D) Ave N Shift Values>> N :: 109.91(4.29) K40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.53 R 0.4 M 0.03 G 0.02 HN Overlap>> A251 C Shift Assignments>> C :: 174.48 CA :: 55.38(D) CB :: 35.35(D) CG :: 25.13(D) CD :: 29.45(D) CE :: 42.36(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 :: 7.89(D) HA :: 4.62 HB3 :: 1.80 HG2 :: 1.38 HG3 :: 1.46 HD3 :: 1.71 HE3 :: 2.99 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.44(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 173.57 CA :: 57.29(D) CB :: 66.99(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.30(D) HA :: 5.78 HB2 :: 3.48 HB3 :: 3.58 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 :: 115.80(D) Ave N Shift Values>> N :: 116.3(3.95) A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 K 0.14 P 0.07 A 0.07 M 0.06 R 0.03 C Shift Assignments>> C :: 175.70 CA :: 51.17(D) CB :: 23.92(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.06(D) HA :: 4.51 HB :: 1.15 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.44(D) Ave N Shift Values>> N :: 123.23(3.7) S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.87 CA :: 57.32(D) CB :: 64.46(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.36(D) HA :: 4.80 HB2 :: 3.75 HB3 :: 4.10 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 :: 114.15(D) Ave N Shift Values>> N :: 116.3(3.95) A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.66 M 0.26 L 0.05 C Shift Assignments>> C :: 173.76 CA :: 53.17(D) CB :: 20.42(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.40(D) HA :: 4.14 HB :: 1.25 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.00(D) Ave N Shift Values>> N :: 123.23(3.7) K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.43 Q 0.26 R 0.22 M 0.04 E 0.02 C Shift Assignments>> C :: 175.23 CA :: 56.10(D) CB :: 33.32(D) CG :: 26.12 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 :: 7.60(D) HA :: 4.26 HB3 :: 1.46 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 :: 107.64(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.32 CA :: 55.05(D) CB :: 64.79(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.22(D) HA :: 5.11 HB3 :: 3.87 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.29(D) Ave N Shift Values>> N :: 116.3(3.95) L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.42 L 0.42 G 0.07 R 0.06 C Shift Assignments>> C :: 177.99 CA :: 58.23(D) CB :: 42.90(D) CD1 :: 27.24(D) CD2 :: 23.84 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 :: 8.83(D) HA :: 4.08 HB3 :: 1.55 HD1 :: 0.94 HD2 :: 0.87 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 :: 130.73(D) Ave N Shift Values>> N :: 121.98(4.07) F48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.52 Y 0.47 HN Overlap>> R195 C Shift Assignments>> C :: 177.39 CA :: 60.98(D) CB :: 40.18(D) CD1 :: 131.96 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 :: 8.17(D) HA :: 4.10 HB2 :: 2.98 HB3 :: 2.90 HD1 :: 7.04 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 :: 115.87(D) Ave N Shift Values>> N :: 120.69(4.18) L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 R 0.24 G 0.05 K 0.01 HN Overlap>> D22 R47 C Shift Assignments>> C :: 179.06 CA :: 58.67(D) CB :: 42.63(D) CG :: 26.90 CD1 :: 26.44(D) CD2 :: 25.15(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 :: 8.70(D) HA :: 3.71 HB2 :: 1.56 HB3 :: 1.86 HG :: 1.67 HD1 :: 0.74 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.57(D) Ave N Shift Values>> N :: 121.98(4.07) Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.29 E 0.26 I 0.05 M 0.04 R 0.04 C Shift Assignments>> C :: 176.70 CA :: 58.24(D) CB :: 28.98(D) CG :: 34.51(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 :: 7.63(D) HA :: 4.10 HB3 :: 2.08 HG3 :: 2.35 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 :: 112.12(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.69 CA :: 63.08(D) CB :: 69.69(D) CG2 :: 22.11(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 :: 7.25(D) HA :: 4.05 HB :: 4.24 HG2 :: 1.15 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 :: 106.52(D) Ave N Shift Values>> N :: 115.7(5.05) L53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.63 R 0.29 G 0.03 K 0.01 A 0.01 C Shift Assignments>> C :: 177.63 CA :: 55.37(D) CB :: 42.55(D) CG :: 27.70(D) CD1 :: 26.34 CD2 :: 23.62(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 :: 7.33(D) HA :: 4.19 HB3 :: 1.31 HG :: 1.68 HD1 :: 0.74 HD2 :: 0.64 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 :: 119.62(D) Ave N Shift Values>> N :: 121.98(4.07) G54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> CA :: 47.26(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.12(D) HA2 :: 3.80 HA3 :: 3.65 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.45(D) Ave N Shift Values>> N :: 109.91(4.29) L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.95 A 0.02 R 0.01 C Shift Assignments>> C :: 175.65 CA :: 54.03(D) CB :: 40.87(D) CG :: 26.25(D) CD1 :: 26.19 CD2 :: 23.88(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 :: 8.12(D) HA :: 4.19 HB3 :: 1.20 HG :: 1.44 HD1 :: 0.72 HD2 :: 0.61 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 :: 124.24(D) Ave N Shift Values>> N :: 121.98(4.07) Q57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 K 0.31 E 0.2 R 0.07 I 0.06 M 0.02 C Shift Assignments>> C :: 176.72 CA :: 58.88(D) CB :: 28.36(D) CG :: 34.24(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.73(D) HA :: 3.58 HB2 :: 2.12 HB3 :: 1.93 HG3 :: 2.06 HE21 :: 7.20 HE22 :: 6.85 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 :: 121.95(D) NE2 :: 110.64 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.14 R 0.08 F 0.01 C Shift Assignments>> C :: 174.33 CA :: 44.98(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.17(D) HA2 :: 4.25 HA3 :: 3.42 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.43(D) Ave N Shift Values>> N :: 109.91(4.29) V60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.10 CA :: 62.62(D) CB :: 32.30(D) CG1 :: 21.37(D) CG2 :: 21.45 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 :: 8.48(D) HA :: 4.43 HB :: 1.90 HG1 :: 0.96 HG2 :: 0.75 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 :: 127.43(D) Ave N Shift Values>> N :: 121.02(4.96) V61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.97 I 0.01 HN Overlap>> V35 C Shift Assignments>> C :: 174.87 CA :: 59.49(D) CB :: 34.59(D) CG1 :: 23.11(D) CG2 :: 21.32(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 :: 9.23(D) HA :: 4.90 HB :: 1.98 HG1 :: 0.74 HG2 :: 0.74 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.89(D) Ave N Shift Values>> N :: 121.02(4.96) T62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> Q226 C Shift Assignments>> C :: 171.82 CA :: 62.51(D) CB :: 70.39(D) CG2 :: 21.79(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 :: 8.80(D) HA :: 4.82 HB :: 3.80 HG2 :: 0.96 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.34(D) Ave N Shift Values>> N :: 115.7(5.05) I63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.96 M 0.03 HN Overlap>> L19 C Shift Assignments>> C :: 173.88 CA :: 60.94(D) CB :: 38.66(D) CG1 :: 31.14 CG2 :: 18.29 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 :: 8.96(D) HA :: 4.82 HB :: 1.82 HG2 :: 0.87 HG13 :: 1.67 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 :: 129.02(D) Ave N Shift Values>> N :: 121.6(4.72) S64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 172.49 CA :: 56.08(D) CB :: 66.24(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.00(D) HA :: 5.55 HB3 :: 3.65 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 :: 121.06(D) Ave N Shift Values>> N :: 116.3(3.95) A65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.77 L 0.12 K 0.03 R 0.03 H 0.01 C Shift Assignments>> CA :: 50.53(D) CB :: 25.53(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.11(D) HA :: 5.64 HB :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.99(D) Ave N Shift Values>> N :: 123.23(3.7) E66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 E 0.39 I 0.01 HN Overlap>> V23 C Shift Assignments>> C :: 175.50 CA :: 54.59(D) CB :: 33.69(D) CG :: 37.03(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 :: 8.33(D) HA :: 5.32 HB2 :: 1.96 HB3 :: 1.91 HG2 :: 2.08 HG3 :: 2.18 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 :: 119.02(D) Ave N Shift Values>> N :: 120.68(3.68) G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 175.33 CA :: 45.61(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.06(D) HA2 :: 3.75 HA3 :: 3.92 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.36(D) Ave N Shift Values>> N :: 109.91(4.29) D69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.33 L 0.07 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> C :: 176.44 CA :: 51.32(D) CB :: 40.06(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 :: 7.22(D) HA :: 4.87 HB2 :: 3.27 HB3 :: 2.62 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 :: 113.88(D) Ave N Shift Values>> N :: 120.73(4.2) Q71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.32 K 0.31 Q 0.23 P 0.04 E 0.03 M 0.02 I 0.02 HN Overlap>> E70 D120 R136 C Shift Assignments>> C :: 177.17 CA :: 59.12(D) CB :: 27.26(D) CG :: 32.71(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 :: 7.68(D) HA :: 3.23 HB2 :: 1.48 HB3 :: 1.39 HG3 :: 1.08(S) HE21 :: 7.38 HE22 :: 6.47 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 :: 119.26(D) NE2 :: 110.31 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.59 R 0.35 M 0.03 G 0.01 HN Overlap>> V212 C Shift Assignments>> C :: 178.63 CA :: 58.83(D) CB :: 32.55(D) CG :: 25.33(D) CD :: 29.48(D) CE :: 42.26(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 :: 7.38(D) HA :: 3.84 HB3 :: 1.75 HG2 :: 1.49 HG3 :: 1.43 HD3 :: 1.73 HE3 :: 2.99 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 :: 118.62(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.55 M 0.41 I 0.01 HN Overlap>> M193 C Shift Assignments>> C :: 178.72 CA :: 54.21(D) CB :: 18.64(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.25(D) HA :: 1.92(S) HB :: 0.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.54(D) Ave N Shift Values>> N :: 123.23(3.7) V74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.65 CA :: 67.64(D) CB :: 32.18(D) CG1 :: 23.19(D) CG2 :: 24.78 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 :: 7.21(D) HA :: 3.22 HB :: 2.13 HG1 :: 0.90 HG2 :: 1.10 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 :: 115.39(D) Ave N Shift Values>> N :: 121.02(4.96) E75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.62 E 0.33 K 0.02 M 0.01 C Shift Assignments>> C :: 179.74 CA :: 60.46(D) CB :: 29.73(D) CG :: 37.53(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 :: 8.18(D) HA :: 3.80 HB2 :: 1.92 HB3 :: 2.04 HG2 :: 2.20 HG3 :: 2.50 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 :: 116.34(D) Ave N Shift Values>> N :: 120.68(3.68) L77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 R 0.34 A 0.13 HN Overlap>> A82 C Shift Assignments>> C :: 179.19 CA :: 57.84(D) CB :: 40.97(D) CG :: 27.13 CD1 :: 21.11(D) CD2 :: 26.79(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 :: 7.95(D) HA :: 4.01 HG :: 1.89 HD1 :: 0.24 HD2 :: 0.57 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.64(D) Ave N Shift Values>> N :: 121.98(4.07) V78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.20 CA :: 67.16(D) CB :: 31.80(D) CG1 :: 23.90(D) CG2 :: 21.41 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 :: 8.90(D) HA :: 3.55 HB :: 2.10 HG1 :: 0.95 HG2 :: 0.89 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.33(D) Ave N Shift Values>> N :: 121.02(4.96) K79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.61 R 0.32 M 0.03 G 0.02 C Shift Assignments>> C :: 178.73 CA :: 59.76(D) CB :: 32.31(D) CG :: 25.18(D) CD :: 29.63(D) CE :: 42.30(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 :: 7.19(D) HA :: 3.97 HB2 :: 1.90 HB3 :: 1.81 HG2 :: 1.30 HG3 :: 1.47 HD3 :: 1.63 HE3 :: 2.94 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.06(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 E 0.27 Q 0.17 I 0.01 C Shift Assignments>> C :: 177.39 CA :: 58.77(D) CB :: 33.46(D) CG :: 34.26(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 :: 8.01(D) HA :: 4.00 HB2 :: 2.26 HB3 :: 2.02 HG2 :: 2.46 HG3 :: 2.53 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 :: 115.97(D) Ave N Shift Values>> N :: 120.1(3.88) A82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.59 M 0.37 L 0.01 HN Overlap>> L77 C Shift Assignments>> C :: 179.30 CA :: 54.04(D) CB :: 19.18 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.88(D) HA :: 4.26 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.71(D) Ave N Shift Values>> N :: 123.23(3.7) L84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.68 R 0.17 G 0.12 C Shift Assignments>> C :: 175.94 CA :: 56.19(D) CB :: 43.27(D) CG :: 26.47(D) CD1 :: 23.77(D) CD2 :: 26.46 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 :: 7.20(D) HA :: 4.21 HB2 :: 1.76 HB3 :: 1.42 HG :: 2.01 HD1 :: 0.85 HD2 :: 0.90 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 :: 121.36(D) Ave N Shift Values>> N :: 121.98(4.07) E85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.57 M 0.33 I 0.07 C Shift Assignments>> CA :: 57.98(D) CB :: 32.82(D) CG :: 36.84 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 :: 7.75(D) HA :: 4.21 HB2 :: 1.92 HB3 :: 2.06 HG3 :: 2.20 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.33(D) Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 325 #Suspicious: 7 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 333 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 335 #Suspicious: 0 C Shift Results: #Consistent: 430 #Duplicate: 859 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1053 #Duplicate: 362 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 19 #Duplicate: 331 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: M1 CA = 55.99(D), Expected = 56.16, Std = 2.3400, ChiSquare = 9.4209e-01 M1 CB = 33.15(D), Expected = 32.90, Std = 2.2300, ChiSquare = 9.1074e-01 M1 CG = 31.62(D), Expected = 32.07, Std = 1.4500, ChiSquare = 7.5630e-01 M1 HA = 4.11(D), Expected = 4.39, Std = 0.4600, ChiSquare = 5.4273e-01 M1 HB3 = 2.05(D), Expected = 2.01, Std = 0.3600, ChiSquare = 9.1153e-01 I2 CA = 61.60(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.9713e-01 I2 CB = 40.09(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.6999e-01 I2 CG1 = 27.15(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.2936e-01 I2 CG2 = 17.60(D), Expected = 17.36, Std = 1.6000, ChiSquare = 8.8076e-01 S3 CA = 57.14(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.9998e-01 S3 CB = 66.46(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.0214e-02 S3 H = 8.14(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.0883e-01 S3 N = 119.60(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.0347e-01 G4 CA = 46.92(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.6283e-01 G4 H = 8.61(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.1521e-01 G4 N = 108.17(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.8504e-01 I5 CA = 60.01(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.6980e-01 I5 CB = 39.29(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.3407e-01 I5 CG2 = 16.83(D), Expected = 17.36, Std = 1.6000, ChiSquare = 7.4046e-01 I5 H = 9.50(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.0728e-02 I5 N = 130.61(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.6275e-02 L6 CA = 55.85(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.2789e-01 L6 CB = 40.95(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.4520e-01 L6 CG = 25.95(D), Expected = 26.77, Std = 1.2500, ChiSquare = 5.1182e-01 L6 CD2 = 25.92(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.0656e-01 L6 H = 8.71(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.5094e-01 L6 N = 127.83(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.5062e-01 A7 CA = 53.50(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.6891e-01 A7 CB = 21.57(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.4895e-01 A7 H = 7.94(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6477e-01 A7 N = 130.30(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.6029e-02 S8 CB = 64.69(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.7080e-01 S8 H = 7.57(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.4552e-01 S8 N = 110.95(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.7560e-01 P9 CA = 63.24(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.7082e-01 P9 CB = 33.76(D), Expected = 31.81, Std = 1.5400, ChiSquare = 2.0543e-01 G10 CA = 44.08(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.7871e-01 G10 H = 6.33(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.6033e-03 G10 N = 104.09(D), Expected = 109.91, Std = 4.2900, ChiSquare = 1.7489e-01 I11 CA = 59.85(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.3138e-01 I11 CB = 41.56(D), Expected = 38.58, Std = 2.0900, ChiSquare = 1.5392e-01 I11 CG1 = 28.87(D), Expected = 27.65, Std = 2.3200, ChiSquare = 5.9898e-01 I11 CG2 = 17.68(D), Expected = 17.36, Std = 1.6000, ChiSquare = 8.4148e-01 I11 CD1 = 14.62(D), Expected = 13.41, Std = 1.9100, ChiSquare = 5.2640e-01 I11 H = 8.52(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.1422e-01 I11 N = 117.64(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.0148e-01 A12 CA = 50.52(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.0000e-01 A12 CB = 23.98(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.0337e-03 A12 H = 8.49(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2886e-01 A12 N = 127.20(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.8328e-01 F13 CA = 55.44(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.0334e-01 F13 CB = 41.29(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.1127e-01 F13 H = 8.53(D), Expected = 8.42, Std = 0.7400, ChiSquare = 8.8183e-01 F13 N = 120.61(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.8473e-01 G14 C = 180.44(S), Expected = 174.04, Std = 1.9400, ChiSquare = 9.7041e-04 G14 CA = 45.79(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.4598e-01 G14 H = 8.18(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.2882e-01 G14 N = 107.60(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.9026e-01 K15 CA = 55.70(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.1239e-01 K15 CB = 34.73(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.1219e-01 K15 CG = 25.58(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.0904e-01 K15 CD = 30.02(D), Expected = 28.78, Std = 1.3900, ChiSquare = 3.7235e-01 K15 H = 8.41(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.6656e-01 K15 N = 118.50(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.1750e-01 A16 CA = 51.78(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.0292e-01 A16 CB = 20.84(D), Expected = 18.90, Std = 1.8500, ChiSquare = 2.9434e-01 A16 H = 8.89(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5014e-01 A16 N = 121.79(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.9714e-01 L17 CA = 54.81(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.0388e-01 L17 CB = 43.97(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.8967e-01 L17 CD1 = 26.27(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.6781e-01 L17 H = 8.57(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.9026e-01 L17 N = 126.67(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.4918e-01 L18 CA = 53.76(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.9244e-01 L18 CB = 43.70(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.7458e-01 L18 CG = 28.46(D), Expected = 26.77, Std = 1.2500, ChiSquare = 1.7638e-01 L18 CD1 = 25.91(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.9016e-01 L18 CD2 = 23.95(D), Expected = 24.10, Std = 1.7800, ChiSquare = 9.3284e-01 L18 H = 8.81(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.6404e-01 L18 N = 127.89(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.4648e-01 L19 CA = 53.97(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.4715e-01 L19 CB = 41.67(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.0666e-01 L19 CG = 27.45(D), Expected = 26.77, Std = 1.2500, ChiSquare = 5.8644e-01 L19 CD1 = 25.90(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.9384e-01 L19 CD2 = 24.34(D), Expected = 24.10, Std = 1.7800, ChiSquare = 8.9275e-01 L19 H = 8.96(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.5493e-01 L19 N = 129.10(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.0224e-02 K20 CA = 55.71(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.1551e-01 K20 CB = 34.57(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.5469e-01 K20 CG = 24.95(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.7564e-01 K20 CD = 29.39(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.6077e-01 K20 CE = 42.26(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.2428e-01 K20 H = 7.93(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.5046e-01 K20 N = 125.06(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.4267e-01 E21 CA = 55.67(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.2424e-01 E21 CB = 32.19(D), Expected = 30.07, Std = 1.8400, ChiSquare = 2.4925e-01 E21 CG = 36.77(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.1475e-01 E21 H = 8.67(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.8852e-01 E21 N = 124.89(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.5261e-01 D22 CA = 54.36(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.3927e-01 D22 CB = 41.70(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.4930e-01 D22 H = 8.68(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.3919e-01 D22 N = 122.63(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.5099e-01 E23 CA = 56.89(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.0877e-01 E23 CB = 30.64(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.5673e-01 E23 CG = 36.36(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.1670e-01 E23 H = 8.50(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.9309e-01 E23 N = 122.21(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.7758e-01 I24 CA = 62.31(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.9564e-01 I24 CB = 38.96(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.5573e-01 I24 CG1 = 28.77(D), Expected = 27.65, Std = 2.3200, ChiSquare = 6.2927e-01 I24 CG2 = 18.00(D), Expected = 17.36, Std = 1.6000, ChiSquare = 6.8916e-01 I24 H = 8.33(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.2146e-01 I24 N = 123.76(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.4722e-01 V25 CA = 62.17(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.1878e-01 V25 CB = 32.78(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.4990e-01 V25 CG1 = 21.14(D), Expected = 21.38, Std = 1.5300, ChiSquare = 8.7535e-01 V25 H = 8.05(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.3534e-01 V25 N = 130.56(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.4432e-02 I26 CA = 58.62(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.8536e-01 I26 CB = 38.06(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.0351e-01 I26 CG2 = 17.66(D), Expected = 17.36, Std = 1.6000, ChiSquare = 8.5127e-01 I26 H = 7.89(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.0228e-01 I26 N = 126.35(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.1424e-01 D27 CA = 53.95(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.8606e-01 D27 CB = 41.82(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.0244e-01 D27 H = 9.42(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.5840e-02 D27 N = 128.22(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.4532e-02 R28 CA = 55.69(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.0110e-01 R28 CB = 29.49(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.0860e-01 R28 CG = 28.19(D), Expected = 27.31, Std = 1.6500, ChiSquare = 5.9380e-01 R28 CD = 43.41(D), Expected = 43.10, Std = 1.1000, ChiSquare = 7.7808e-01 R28 H = 8.21(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.6012e-01 R28 N = 123.89(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.0033e-01 K29 CA = 57.23(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.6239e-01 K29 CB = 32.40(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.1908e-01 K29 CG = 24.45(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.2548e-01 K29 CD = 29.45(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.2980e-01 K29 CE = 41.89(D), Expected = 41.78, Std = 0.9800, ChiSquare = 9.1063e-01 K29 H = 8.09(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.3904e-01 K29 N = 122.18(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.0400e-01 K30 CA = 55.49(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.4851e-01 K30 CB = 33.21(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.3982e-01 K30 CG = 25.17(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.4267e-01 K30 CD = 29.03(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.5727e-01 K30 CE = 42.63(D), Expected = 41.78, Std = 0.9800, ChiSquare = 3.8575e-01 K30 H = 8.24(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.7507e-01 K30 N = 122.75(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.9886e-01 I31 CA = 60.68(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.4341e-01 I31 CB = 38.89(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.8209e-01 I31 CG2 = 19.18(D), Expected = 17.36, Std = 1.6000, ChiSquare = 2.5533e-01 I31 H = 8.27(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.8876e-01 I31 N = 118.08(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.5581e-01 S32 CA = 57.06(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.7630e-01 S32 CB = 65.02(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.3712e-01 S32 H = 8.07(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.2271e-01 S32 N = 113.77(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.2184e-01 A33 CA = 55.46(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.6421e-01 A33 CB = 18.62(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.7970e-01 A33 H = 8.69(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1412e-01 A33 N = 123.70(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.9892e-01 D34 CA = 55.34(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.9618e-01 D34 CB = 40.27(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.9680e-01 D34 H = 8.22(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.4697e-01 D34 N = 113.39(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.0530e-02 Q35 CA = 55.84(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.2172e-01 Q35 CB = 30.89(D), Expected = 29.10, Std = 1.9700, ChiSquare = 3.6355e-01 Q35 CG = 34.94(D), Expected = 33.72, Std = 1.1000, ChiSquare = 2.6739e-01 Q35 H = 7.78(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.7790e-01 Q35 HE21 = 6.71(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.1731e-01 Q35 HE22 = 7.67(D), Expected = 7.07, Std = 0.4900, ChiSquare = 2.2077e-01 Q35 N = 118.07(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.4455e-01 Q35 NE2 = 111.48(D), Expected = 111.81, Std = 2.2000, ChiSquare = 8.8076e-01 V36 CA = 67.21(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.1973e-01 V36 CB = 32.68(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.9165e-01 V36 CG2 = 22.20(D), Expected = 21.31, Std = 1.7600, ChiSquare = 6.1308e-01 V36 H = 7.12(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.9376e-02 V36 N = 120.52(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.1970e-01 D37 CA = 58.34(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.8904e-02 D37 CB = 39.76(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.7352e-01 D37 H = 8.51(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.5216e-01 D37 N = 118.32(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.6610e-01 Q38 CA = 58.89(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.9996e-01 Q38 CB = 28.79(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.7496e-01 Q38 CG = 34.70(D), Expected = 33.72, Std = 1.1000, ChiSquare = 3.7298e-01 Q38 H = 8.07(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.0883e-01 Q38 HE21 = 6.81(D), Expected = 7.17, Std = 0.4600, ChiSquare = 4.3386e-01 Q38 HE22 = 7.66(D), Expected = 7.07, Std = 0.4900, ChiSquare = 2.2856e-01 Q38 N = 119.71(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.5823e-01 Q38 NE2 = 111.19(D), Expected = 111.81, Std = 2.2000, ChiSquare = 7.7808e-01 E39 CA = 59.40(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.6594e-01 E39 CB = 29.87(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.1344e-01 E39 H = 8.15(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.5544e-01 E39 N = 121.68(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.8582e-01 V40 CA = 68.54(D), Expected = 62.48, Std = 3.0400, ChiSquare = 4.6215e-02 V40 CB = 31.98(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.2182e-01 V40 H = 8.72(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.4476e-01 V40 N = 121.69(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.9255e-01 E41 CA = 59.90(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.5746e-01 E41 CB = 29.09(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.9430e-01 E41 CG = 36.34(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.2701e-01 E41 H = 7.88(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.5079e-01 E41 N = 118.50(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.5359e-01 R42 CA = 60.21(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.7615e-01 R42 CB = 31.15(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.8191e-01 R42 H = 8.19(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.3359e-01 R42 N = 121.40(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.3948e-01 F43 CA = 60.22(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.7053e-01 F43 CB = 38.23(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.9915e-01 F43 H = 8.02(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.8882e-01 F43 N = 119.31(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.4129e-01 L44 CA = 58.29(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.3225e-01 L44 CB = 41.34(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.7974e-01 L44 H = 8.51(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.5549e-01 L44 N = 120.49(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.1430e-01 S45 CA = 61.58(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.5566e-01 S45 CB = 63.10(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.5570e-01 S45 H = 9.01(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.4552e-01 S45 N = 116.16(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.7173e-01 G46 CA = 47.29(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.6750e-01 G46 H = 7.93(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.7954e-01 G46 N = 110.22(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.4239e-01 R47 CA = 60.41(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.5109e-01 R47 CB = 29.88(D), Expected = 30.66, Std = 1.7700, ChiSquare = 6.5945e-01 R47 H = 8.74(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.0466e-01 R47 N = 122.56(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.1707e-01 A48 CA = 55.28(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.0342e-01 A48 CB = 18.02(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.3431e-01 A48 H = 7.87(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8232e-01 A48 N = 121.11(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.6666e-01 K49 CA = 60.16(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.4006e-01 K49 CB = 33.10(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.8580e-01 K49 CG = 25.02(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.3308e-01 K49 CE = 42.26(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.2428e-01 K49 H = 7.64(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.6480e-01 K49 HA = 4.02(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.6341e-01 K49 HB3 = 1.78(D), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0000e+00 K49 HG3 = 1.33(D), Expected = 1.37, Std = 0.2900, ChiSquare = 8.9030e-01 K49 HE3 = 2.96(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.8076e-01 K49 N = 119.03(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.0428e-01 A50 CA = 55.00(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7175e-01 A50 CB = 18.29(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.4160e-01 A50 H = 8.00(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3888e-01 A50 N = 121.31(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.0382e-01 S51 CB = 63.06(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.3740e-01 S51 H = 8.14(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.0883e-01 S51 N = 114.64(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.7430e-01 A52 CA = 55.35(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.8773e-01 A52 CB = 18.08(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.5759e-01 A52 H = 7.73(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3343e-01 A52 N = 122.31(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.0363e-01 Q53 CA = 58.83(D), Expected = 56.62, Std = 2.1900, ChiSquare = 3.1291e-01 Q53 CB = 27.79(D), Expected = 29.10, Std = 1.9700, ChiSquare = 5.0607e-01 Q53 CG = 33.72(D), Expected = 33.72, Std = 1.1000, ChiSquare = 1.0000e+00 Q53 H = 7.89(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.9455e-01 Q53 N = 117.41(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.3136e-01 L54 CA = 58.26(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.3760e-01 L54 CB = 43.12(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.8678e-01 L54 H = 8.20(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.7545e-01 L54 N = 119.69(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.7367e-01 E55 CA = 60.33(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.8392e-01 E55 CB = 29.16(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.2091e-01 E55 CG = 35.86(D), Expected = 36.01, Std = 1.5100, ChiSquare = 9.2087e-01 E55 H = 8.52(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.6793e-01 E55 N = 121.46(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.3214e-01 T56 C = 176.53(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.8362e-01 T56 CA = 66.68(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.5825e-02 T56 CB = 69.08(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.4184e-01 T56 CG2 = 22.27(D), Expected = 21.44, Std = 1.3900, ChiSquare = 5.5043e-01 T56 H = 7.58(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.6575e-01 T56 HA = 3.98(D), Expected = 4.48, Std = 0.5000, ChiSquare = 3.1731e-01 T56 HB = 4.26(D), Expected = 4.17, Std = 0.3700, ChiSquare = 8.0782e-01 T56 HG2 = 1.22(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.3032e-01 T56 N = 116.22(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.1799e-01 I57 CA = 66.01(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.1185e-01 I57 CB = 38.57(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.9618e-01 I57 H = 7.88(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.9250e-01 I57 N = 123.45(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.9510e-01 K58 CA = 60.46(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.0764e-01 K58 CB = 32.68(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.3641e-01 K58 CG = 24.91(D), Expected = 24.91, Std = 1.3100, ChiSquare = 1.0000e+00 K58 H = 8.71(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.4390e-01 K58 N = 120.48(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.6859e-01 T59 C = 177.39(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.2114e-01 T59 CA = 66.37(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.2079e-01 T59 CB = 69.21(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.0031e-01 T59 CG2 = 22.05(D), Expected = 21.44, Std = 1.3900, ChiSquare = 6.6077e-01 T59 H = 7.70(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.5791e-01 T59 HA = 3.97(D), Expected = 4.48, Std = 0.5000, ChiSquare = 3.0773e-01 T59 HB = 4.25(D), Expected = 4.17, Std = 0.3700, ChiSquare = 8.2882e-01 T59 HG2 = 1.23(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.0259e-01 T59 N = 114.17(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.6191e-01 K60 CA = 58.89(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.6224e-01 K60 CB = 31.86(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.0588e-01 K60 CG = 25.08(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.9675e-01 K60 CD = 28.73(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.7131e-01 K60 CE = 42.48(D), Expected = 41.78, Std = 0.9800, ChiSquare = 4.7505e-01 K60 H = 7.91(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.2812e-01 K60 N = 122.84(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.8272e-01 A61 CA = 55.25(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.1031e-01 A61 CB = 18.74(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.3108e-01 A61 H = 9.00(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8242e-01 A61 N = 122.39(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.2040e-01 G62 CA = 47.03(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.3124e-01 G62 H = 8.30(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.5689e-01 G62 N = 105.30(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.8256e-01 E63 CA = 58.93(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.9051e-01 E63 CB = 30.38(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.6621e-01 E63 CG = 36.62(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.8623e-01 E63 H = 7.73(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.1731e-01 E63 N = 120.67(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.9783e-01 T64 CA = 65.19(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.6372e-01 T64 CB = 69.88(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.8773e-01 T64 CG2 = 22.18(D), Expected = 21.44, Std = 1.3900, ChiSquare = 5.9447e-01 T64 H = 8.05(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.2271e-01 T64 N = 113.43(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.5307e-01 F65 CA = 58.57(D), Expected = 58.25, Std = 2.7300, ChiSquare = 9.0669e-01 F65 CB = 41.49(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.5031e-01 F65 H = 8.64(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.6624e-01 F65 N = 116.96(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.7221e-01 G66 CA = 44.96(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.9443e-01 G66 H = 7.88(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.3419e-01 G66 N = 109.19(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.6672e-01 E67 CA = 59.79(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.7917e-01 E67 CB = 30.10(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.8699e-01 E67 CG = 36.44(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.7582e-01 E67 H = 8.63(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.3449e-01 E67 N = 119.29(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.0564e-01 E68 CA = 59.74(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.8944e-01 E68 CB = 29.18(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.2860e-01 E68 CG = 36.62(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.8623e-01 E68 H = 8.89(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.6725e-01 E68 HA = 4.06(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.4185e-01 E68 HB3 = 2.05(D), Expected = 2.04, Std = 0.2300, ChiSquare = 9.6532e-01 E68 HG3 = 2.32(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6202e-01 E68 N = 119.76(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.0259e-01 K69 CA = 57.47(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.7948e-01 K69 CB = 32.30(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.7801e-01 K69 CG = 25.88(D), Expected = 24.91, Std = 1.3100, ChiSquare = 4.5902e-01 K69 CD = 28.44(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.0676e-01 K69 CE = 40.53(D), Expected = 41.78, Std = 0.9800, ChiSquare = 2.0213e-01 K69 H = 7.59(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.2493e-01 K69 N = 116.98(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.0914e-01 E70 CA = 60.69(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.3540e-01 E70 CB = 30.08(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.9566e-01 E70 CG = 36.56(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.1568e-01 E70 H = 7.77(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.5008e-01 E70 HA = 3.96(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.8538e-01 E70 N = 119.23(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.9356e-01 A71 CA = 54.92(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.9290e-01 A71 CB = 18.50(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.2882e-01 A71 H = 7.74(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4328e-01 A71 N = 118.03(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.5990e-01 I72 CA = 64.56(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.8536e-01 I72 CB = 37.68(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.6674e-01 I72 H = 7.37(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.1002e-01 I72 N = 118.34(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.8977e-01 F73 CA = 62.26(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.4187e-01 F73 CB = 38.87(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.9652e-01 F73 H = 7.00(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.4995e-02 F73 N = 116.70(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.3981e-01 E74 CA = 60.09(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.2278e-01 E74 CB = 29.59(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9419e-01 E74 CG = 36.32(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.3734e-01 E74 H = 8.24(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.6978e-01 E74 N = 120.98(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.3503e-01 G75 CA = 47.26(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.7410e-01 G75 H = 7.73(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.0976e-01 G75 N = 105.99(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.6085e-01 H76 C = 177.72(D), Expected = 175.19, Std = 2.1400, ChiSquare = 2.3711e-01 H76 CA = 59.51(D), Expected = 56.37, Std = 2.4000, ChiSquare = 1.9076e-01 H76 CB = 32.30(D), Expected = 29.95, Std = 2.1500, ChiSquare = 2.7438e-01 H76 CD2 = 115.42(D), Expected = 119.84, Std = 3.3000, ChiSquare = 1.8044e-01 H76 H = 7.75(D), Expected = 8.25, Std = 0.7400, ChiSquare = 4.9925e-01 H76 HD2 = 6.64(D), Expected = 7.08, Std = 0.5000, ChiSquare = 3.7886e-01 H76 N = 121.63(D), Expected = 119.44, Std = 4.5200, ChiSquare = 6.2802e-01 I77 CA = 66.77(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.2419e-02 I77 CB = 38.82(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.0858e-01 I77 H = 8.00(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.1422e-01 I77 N = 119.78(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.9980e-01 M78 CA = 59.30(D), Expected = 56.16, Std = 2.3400, ChiSquare = 1.7963e-01 M78 CB = 33.73(D), Expected = 32.90, Std = 2.2300, ChiSquare = 7.0975e-01 M78 CG = 32.75(D), Expected = 32.07, Std = 1.4500, ChiSquare = 6.3909e-01 M78 H = 7.87(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.1569e-01 M78 N = 117.04(D), Expected = 120.10, Std = 3.8800, ChiSquare = 4.3031e-01 L79 CA = 58.89(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.4263e-01 L79 CB = 42.83(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.0467e-01 L79 CD1 = 23.91(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.3156e-01 L79 CD2 = 25.52(D), Expected = 24.10, Std = 1.7800, ChiSquare = 4.2501e-01 L79 H = 8.05(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.9368e-01 L79 N = 119.23(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.9925e-01 L80 C = 177.58(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.7039e-01 L80 CA = 57.88(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.1295e-01 L80 CB = 42.51(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.4000e-01 L80 CG = 27.39(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.1989e-01 L80 CD1 = 25.38(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.0386e-01 L80 CD2 = 26.29(D), Expected = 24.10, Std = 1.7800, ChiSquare = 2.1857e-01 L80 H = 8.00(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.3502e-01 L80 HA = 3.79(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.5946e-01 L80 HG = 1.69(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.4944e-01 L80 N = 116.83(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.0574e-01 E81 CA = 56.36(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.2837e-01 E81 CB = 29.06(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.8307e-01 E81 CG = 37.16(D), Expected = 36.01, Std = 1.5100, ChiSquare = 4.4631e-01 E81 H = 7.98(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.5508e-01 E81 N = 112.73(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.0747e-02 D82 CA = 56.37(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.7834e-01 D82 CB = 45.04(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.3550e-03 D82 H = 7.25(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.8128e-02 D82 N = 121.72(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.1365e-01 E83 C = 178.63(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.2042e-01 E83 CA = 60.12(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.1762e-01 E83 CB = 30.22(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.3503e-01 E83 CG = 37.14(D), Expected = 36.01, Std = 1.5100, ChiSquare = 4.5425e-01 E83 H = 9.24(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.4010e-01 E83 HA = 4.14(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.8019e-01 E83 HB3 = 2.14(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.6372e-01 E83 HG3 = 2.41(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E83 N = 128.15(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.2368e-02 E84 CA = 59.68(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.0209e-01 E84 CB = 28.93(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.3554e-01 E84 CG = 36.94(D), Expected = 36.01, Std = 1.5100, ChiSquare = 5.3796e-01 E84 H = 8.66(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.9987e-01 E84 N = 121.27(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.7262e-01 L85 CA = 58.83(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.5017e-01 L85 CB = 41.83(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.7157e-01 L85 CD2 = 26.78(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.3217e-01 L85 H = 8.00(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.3502e-01 L85 N = 122.39(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.1976e-01 E86 CA = 60.14(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.1423e-01 E86 CB = 30.55(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9419e-01 E86 CG = 36.47(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.6064e-01 E86 H = 7.61(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.3142e-01 E86 N = 116.97(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.1338e-01 Q87 CA = 59.09(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.5938e-01 Q87 CB = 28.69(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.3513e-01 Q87 CG = 34.49(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.8393e-01 Q87 H = 7.98(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.9868e-01 Q87 HE21 = 6.77(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.8454e-01 Q87 HE22 = 7.51(D), Expected = 7.07, Std = 0.4900, ChiSquare = 3.6921e-01 Q87 N = 115.51(D), Expected = 119.92, Std = 4.0100, ChiSquare = 2.7144e-01 Q87 NE2 = 111.33(D), Expected = 111.81, Std = 2.2000, ChiSquare = 8.2729e-01 E88 CA = 59.98(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.4242e-01 E88 CB = 29.96(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.5233e-01 E88 CG = 36.70(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.4770e-01 E88 H = 8.26(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.9566e-01 E88 N = 120.25(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.0698e-01 I89 CA = 66.61(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.0957e-02 I89 CB = 37.83(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.1971e-01 I89 H = 7.81(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.2621e-01 I89 N = 119.33(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.3056e-01 I90 CA = 66.55(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.4396e-02 I90 CB = 37.68(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.6674e-01 I90 H = 8.22(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.5507e-01 I90 N = 117.93(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.3684e-01 A91 CA = 55.65(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.2676e-01 A91 CB = 18.22(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.1320e-01 A91 H = 8.06(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1550e-01 A91 N = 120.65(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.8562e-01 L92 CA = 58.35(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.2181e-01 L92 CB = 41.65(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.9868e-01 L92 CD1 = 27.07(D), Expected = 24.73, Std = 1.7100, ChiSquare = 1.7118e-01 L92 H = 7.27(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.4387e-01 L92 N = 117.46(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.6676e-01 I93 CA = 65.52(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.5746e-01 I93 CB = 39.62(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.1876e-01 I93 CG2 = 18.21(D), Expected = 17.36, Std = 1.6000, ChiSquare = 5.9525e-01 I93 H = 7.50(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.8443e-01 I93 N = 119.99(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.3303e-01 K94 CA = 60.40(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.1360e-01 K94 CB = 33.56(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.9780e-01 K94 H = 8.54(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.1707e-01 K94 N = 114.98(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.3267e-01 D95 CA = 56.03(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.7211e-01 D95 CB = 41.38(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.8387e-01 D95 H = 8.88(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.3459e-01 D95 N = 114.92(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.6656e-01 K96 CA = 55.46(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.3966e-01 K96 CB = 32.90(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.7030e-01 K96 CG = 25.99(D), Expected = 24.91, Std = 1.3100, ChiSquare = 4.0970e-01 K96 CE = 42.24(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.3879e-01 K96 H = 7.19(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.0753e-01 K96 N = 114.91(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.2834e-01 H97 CA = 56.25(D), Expected = 56.37, Std = 2.4000, ChiSquare = 9.6012e-01 H97 CB = 26.62(D), Expected = 29.95, Std = 2.1500, ChiSquare = 1.2142e-01 H97 H = 7.31(D), Expected = 8.25, Std = 0.7400, ChiSquare = 2.0399e-01 H97 N = 115.65(D), Expected = 119.44, Std = 4.5200, ChiSquare = 4.0175e-01 M98 CA = 55.69(D), Expected = 56.16, Std = 2.3400, ChiSquare = 8.4081e-01 M98 CB = 36.20(D), Expected = 32.90, Std = 2.2300, ChiSquare = 1.3892e-01 M98 CG = 33.13(D), Expected = 32.07, Std = 1.4500, ChiSquare = 4.6476e-01 M98 H = 7.27(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8943e-02 M98 N = 116.72(D), Expected = 120.10, Std = 3.8800, ChiSquare = 3.8368e-01 T99 CA = 61.16(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.1588e-01 T99 CB = 71.98(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.6868e-01 T99 H = 8.35(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.9733e-01 T99 N = 105.92(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.2790e-02 A100 CA = 55.93(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.7873e-01 A100 CB = 20.06(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.3064e-01 A100 H = 10.46(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6544e-04 A100 N = 121.28(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.9817e-01 D101 CA = 55.83(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.3275e-01 D101 CB = 40.25(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.8757e-01 D101 H = 9.38(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.5460e-02 D101 N = 108.75(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.3393e-03 A102 CA = 56.05(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.6064e-01 A102 CB = 18.54(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.4571e-01 A102 H = 7.53(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6414e-01 A102 N = 122.52(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.4783e-01 A103 CA = 54.97(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7960e-01 A103 CB = 21.20(D), Expected = 18.90, Std = 1.8500, ChiSquare = 2.1378e-01 A103 H = 8.87(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6414e-01 A103 N = 120.96(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.3954e-01 A104 CA = 55.32(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9439e-01 A104 CB = 18.07(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.5368e-01 A104 H = 8.25(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3359e-01 A104 N = 117.46(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.1889e-01 H105 CA = 61.07(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.0191e-02 H105 CB = 31.32(D), Expected = 29.95, Std = 2.1500, ChiSquare = 5.2399e-01 H105 H = 8.21(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.5689e-01 H105 N = 115.56(D), Expected = 119.44, Std = 4.5200, ChiSquare = 3.9067e-01 E106 CA = 59.88(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.6132e-01 E106 CB = 29.49(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.5260e-01 E106 CG = 36.09(D), Expected = 36.01, Std = 1.5100, ChiSquare = 9.5775e-01 E106 H = 8.16(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.6793e-01 E106 N = 117.29(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.5695e-01 V107 CA = 66.59(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.7638e-01 V107 CB = 32.43(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.0415e-01 V107 H = 7.83(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.1706e-01 V107 N = 118.47(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.0717e-01 I108 CA = 64.51(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.9355e-01 I108 CB = 36.83(D), Expected = 38.58, Std = 2.0900, ChiSquare = 4.0241e-01 I108 CG1 = 27.45(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.3130e-01 I108 CG2 = 18.14(D), Expected = 17.36, Std = 1.6000, ChiSquare = 6.2590e-01 I108 H = 8.28(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.7753e-01 I108 N = 120.21(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.6838e-01 E109 CA = 58.84(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.1673e-01 E109 CB = 28.18(D), Expected = 30.07, Std = 1.8400, ChiSquare = 3.0434e-01 E109 CG = 35.66(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.1670e-01 E109 H = 8.61(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.5804e-01 E109 N = 118.93(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.3440e-01 G110 CA = 47.37(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.5083e-01 G110 H = 7.77(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.4114e-01 G110 N = 107.12(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.1547e-01 Q111 CA = 58.44(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.0595e-01 Q111 CB = 28.36(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.0719e-01 Q111 CG = 32.96(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.8962e-01 Q111 H = 7.74(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.3882e-01 Q111 HE21 = 6.84(D), Expected = 7.17, Std = 0.4600, ChiSquare = 4.7313e-01 Q111 HE22 = 6.19(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.2508e-02 Q111 N = 121.62(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.7161e-01 Q111 NE2 = 109.31(D), Expected = 111.81, Std = 2.2000, ChiSquare = 2.5580e-01 A112 CA = 56.28(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.2988e-01 A112 CB = 18.54(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.4571e-01 A112 H = 8.54(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.7094e-01 A112 N = 121.37(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.1517e-01 S113 CA = 62.25(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.2591e-02 S113 CB = 63.05(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.3286e-01 S113 H = 8.45(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.9636e-01 S113 N = 111.43(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.1761e-01 A114 CA = 54.95(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.8488e-01 A114 CB = 17.92(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.9630e-01 A114 H = 7.42(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9360e-01 A114 N = 123.59(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.2249e-01 L115 CA = 57.59(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.8004e-01 L115 CB = 42.46(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6141e-01 L115 CD1 = 25.32(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.3007e-01 L115 H = 7.60(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.4016e-01 L115 N = 117.41(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.6150e-01 E116 CA = 58.61(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.8687e-01 E116 CB = 29.85(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.0483e-01 E116 CG = 37.48(D), Expected = 36.01, Std = 1.5100, ChiSquare = 3.3030e-01 E116 H = 7.76(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.4170e-01 E116 N = 115.96(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.9963e-01 E117 CA = 57.76(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.7662e-01 E117 CB = 30.21(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.3935e-01 E117 CG = 36.48(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.5560e-01 E117 H = 7.44(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.4010e-01 E117 N = 117.33(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.6265e-01 L118 CA = 55.41(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.1352e-01 L118 CB = 42.14(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.0159e-01 L118 CD1 = 22.96(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.0063e-01 L118 CD2 = 26.64(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.5359e-01 L118 H = 7.15(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.9732e-02 L118 N = 118.51(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.9389e-01 D119 CA = 55.18(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.5330e-01 D119 CB = 40.45(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.8100e-01 D119 H = 8.01(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.7452e-01 D119 N = 118.03(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.2032e-01 D120 CA = 54.04(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.1920e-01 D120 CB = 44.66(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.7728e-02 D120 H = 7.69(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.6152e-01 D120 N = 119.18(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.1209e-01 E121 CA = 60.22(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.0106e-01 E121 CB = 30.09(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.9133e-01 E121 CG = 36.37(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.1156e-01 E121 H = 8.99(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.8662e-01 E121 N = 126.81(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.5761e-02 Y122 CA = 61.21(D), Expected = 58.02, Std = 2.6400, ChiSquare = 2.2692e-01 Y122 CB = 37.77(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.3308e-01 Y122 H = 8.25(D), Expected = 8.37, Std = 0.7500, ChiSquare = 8.7288e-01 Y122 N = 119.60(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.9970e-01 L123 CA = 57.50(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.0253e-01 L123 CB = 41.15(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.1188e-01 L123 CG = 26.87(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.3624e-01 L123 H = 8.07(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.1749e-01 L123 N = 120.00(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.2662e-01 K124 CA = 60.31(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.2302e-01 K124 CB = 32.48(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.5231e-01 K124 CG = 26.15(D), Expected = 24.91, Std = 1.3100, ChiSquare = 3.4386e-01 K124 H = 8.06(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.0259e-01 K124 N = 119.01(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.0089e-01 E125 CA = 59.36(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.7570e-01 E125 CB = 29.23(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.4801e-01 E125 H = 7.63(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.4445e-01 E125 N = 120.03(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.5980e-01 R126 CA = 58.43(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.3914e-01 A127 CA = 55.65(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.2676e-01 A127 CB = 19.26(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.4571e-01 A127 H = 8.10(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6763e-01 A127 N = 121.63(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.6543e-01 A128 CA = 55.33(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9216e-01 A128 CB = 18.17(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.9314e-01 A128 H = 7.46(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1745e-01 A128 N = 119.18(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.7369e-01 V130 CA = 66.46(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.9046e-01 V130 CB = 31.87(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.7916e-01 V130 CG1 = 22.82(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.4661e-01 R131 CA = 61.09(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.5825e-02 R131 CB = 30.27(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.2561e-01 R131 CD = 42.45(D), Expected = 43.10, Std = 1.1000, ChiSquare = 5.5458e-01 R131 H = 8.24(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.0000e+00 R131 N = 117.86(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.8073e-01 D132 CA = 57.83(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.1498e-01 D132 CB = 41.80(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.1010e-01 D132 H = 7.99(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.5085e-01 D132 N = 121.51(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.5267e-01 I133 CA = 65.05(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.1328e-01 I133 CB = 38.83(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.0479e-01 I133 CG1 = 28.80(D), Expected = 27.65, Std = 2.3200, ChiSquare = 6.2011e-01 I133 CG2 = 19.45(D), Expected = 17.36, Std = 1.6000, ChiSquare = 1.9147e-01 I133 H = 8.11(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.3268e-01 I133 N = 119.48(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.5332e-01 G134 CA = 48.39(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.1167e-02 G134 H = 8.75(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.7954e-01 G134 N = 107.59(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.8865e-01 K135 CA = 60.55(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.9170e-02 K135 CB = 32.54(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.7741e-01 K135 H = 8.53(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.2812e-01 K135 N = 122.41(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.6102e-01 R136 CA = 60.27(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.6833e-01 R136 H = 7.63(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.0931e-01 R136 N = 119.31(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.3888e-01 L137 CA = 59.15(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.1326e-01 L137 CB = 41.84(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.7569e-01 L137 H = 8.87(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.1731e-01 L137 N = 121.99(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.9804e-01 L138 CA = 58.73(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.6342e-01 L138 CB = 42.28(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6141e-01 L138 H = 8.91(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.8845e-01 L138 N = 118.91(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.5067e-01 R139 CA = 61.76(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.5950e-02 R139 CB = 30.12(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.6030e-01 R139 H = 8.69(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.5325e-01 R139 N = 115.93(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.3014e-01 N140 CA = 57.43(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.9221e-02 N140 CB = 41.34(D), Expected = 38.66, Std = 1.7800, ChiSquare = 1.3217e-01 N140 H = 7.64(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.6140e-01 N140 N = 114.65(D), Expected = 119.13, Std = 4.4200, ChiSquare = 3.1079e-01 I141 CA = 66.46(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.9809e-02 I141 CB = 39.02(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.3326e-01 I141 CG2 = 17.23(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.3524e-01 I141 H = 8.74(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.9901e-01 I141 N = 122.10(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.1564e-01 L142 CA = 55.91(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.0635e-01 L142 CB = 43.70(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.7458e-01 L142 CD2 = 26.55(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.6870e-01 L142 H = 8.05(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.9368e-01 L142 N = 115.53(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.1302e-01 G143 CA = 46.86(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.8127e-01 G143 H = 7.62(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.3057e-01 G143 N = 108.73(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.8327e-01 L144 CA = 53.77(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.9495e-01 L144 CB = 43.08(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.0267e-01 L144 CD1 = 26.72(D), Expected = 24.73, Std = 1.7100, ChiSquare = 2.4453e-01 L144 H = 8.15(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.1424e-01 L144 N = 119.41(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.2775e-01 K145 CA = 57.35(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.2068e-01 K145 CB = 33.07(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.9842e-01 K145 CG = 25.02(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.3308e-01 K145 CD = 29.32(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.9765e-01 K145 H = 8.40(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.7852e-01 K145 N = 120.02(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.8149e-01 I146 CA = 59.34(D), Expected = 61.59, Std = 2.7800, ChiSquare = 4.1831e-01 I146 CB = 39.39(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.9834e-01 I146 CG1 = 27.73(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.7249e-01 I146 CG2 = 17.62(D), Expected = 17.36, Std = 1.6000, ChiSquare = 8.7091e-01 I146 H = 8.26(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.0000e+00 I146 N = 126.16(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.3399e-01 I147 CA = 62.35(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.8456e-01 I147 CB = 38.48(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.6184e-01 I147 CG1 = 28.51(D), Expected = 27.65, Std = 2.3200, ChiSquare = 7.1087e-01 I147 CG2 = 17.50(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.3027e-01 I147 H = 8.83(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.2208e-01 I147 N = 129.02(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.1594e-01 D148 CA = 52.63(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.6812e-01 D148 CB = 41.25(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.4190e-01 D148 H = 8.31(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.7201e-01 D148 N = 126.06(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.0442e-01 L149 CA = 56.11(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.3512e-01 L149 CB = 41.27(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.5425e-01 L149 CD1 = 23.73(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.5869e-01 L149 CD2 = 25.82(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.3390e-01 L149 H = 8.50(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.6664e-01 L149 N = 125.84(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.4292e-01 S150 CA = 60.81(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.9069e-01 S150 CB = 64.01(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.9359e-01 S150 H = 8.54(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.8678e-01 S150 N = 115.67(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.7328e-01 A151 CA = 51.80(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.0913e-01 A151 CB = 19.22(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.6267e-01 A151 H = 7.41(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8795e-01 A151 N = 124.54(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.2330e-01 I152 CA = 63.02(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.0698e-01 I152 CB = 38.64(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.7710e-01 I152 CG2 = 18.56(D), Expected = 17.36, Std = 1.6000, ChiSquare = 4.5325e-01 I152 H = 6.88(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.1936e-02 I152 N = 118.96(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.7594e-01 Q153 CA = 56.47(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.4539e-01 Q153 CB = 30.79(D), Expected = 29.10, Std = 1.9700, ChiSquare = 3.9097e-01 Q153 CG = 33.74(D), Expected = 33.72, Std = 1.1000, ChiSquare = 9.8549e-01 Q153 H = 8.66(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.7790e-01 Q153 HE21 = 6.73(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.3881e-01 Q153 HE22 = 7.33(D), Expected = 7.07, Std = 0.4900, ChiSquare = 5.9569e-01 Q153 N = 124.88(D), Expected = 119.92, Std = 4.0100, ChiSquare = 2.1612e-01 Q153 NE2 = 111.57(D), Expected = 111.81, Std = 2.2000, ChiSquare = 9.1313e-01 D154 CA = 53.07(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.8989e-01 D154 CB = 43.90(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.5344e-02 D154 H = 7.45(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.2262e-01 D154 N = 119.86(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.3590e-01 E155 CA = 56.73(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.5271e-01 E155 CB = 29.78(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.7477e-01 E155 CG = 37.36(D), Expected = 36.01, Std = 1.5100, ChiSquare = 3.7130e-01 E155 H = 8.10(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.9399e-01 E155 N = 117.39(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.7131e-01 V156 CA = 59.12(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.6905e-01 V156 CB = 37.38(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.3466e-02 V156 CG1 = 22.54(D), Expected = 21.38, Std = 1.5300, ChiSquare = 4.4835e-01 V156 H = 8.31(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.7753e-01 V156 N = 115.39(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.5634e-01 I157 CA = 60.92(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.0955e-01 I157 CB = 39.53(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.4944e-01 I157 CG2 = 18.12(D), Expected = 17.36, Std = 1.6000, ChiSquare = 6.3479e-01 I157 H = 8.58(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.5220e-01 I157 N = 121.02(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.0220e-01 L158 CA = 55.25(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.5637e-01 L158 CB = 44.48(D), Expected = 42.37, Std = 1.8600, ChiSquare = 2.5662e-01 L158 CG = 27.75(D), Expected = 26.77, Std = 1.2500, ChiSquare = 4.3304e-01 L158 CD1 = 26.21(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.8677e-01 L158 H = 7.80(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.1818e-01 L158 N = 128.19(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.2706e-01 V159 CA = 60.95(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.1476e-01 V159 CB = 33.46(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.7533e-01 V159 H = 8.69(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.7318e-01 V159 N = 125.12(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.0846e-01 A160 CA = 50.19(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.4937e-01 A160 CB = 24.65(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.8829e-03 A160 H = 8.27(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 A160 N = 125.78(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.9070e-01 A161 CA = 56.08(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.5634e-01 A161 CB = 18.36(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.7037e-01 A161 H = 9.35(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5280e-02 A161 N = 125.02(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.2854e-01 D162 CA = 52.92(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.4612e-01 D162 CB = 42.72(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.2644e-01 D162 H = 7.50(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.4535e-01 D162 N = 109.63(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.2210e-03 L163 CA = 55.00(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.6867e-01 L163 CB = 45.87(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.9874e-02 L163 CG = 27.57(D), Expected = 26.77, Std = 1.2500, ChiSquare = 5.2217e-01 L163 CD2 = 25.96(D), Expected = 24.10, Std = 1.7800, ChiSquare = 2.9605e-01 L163 H = 7.98(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.1196e-01 L163 N = 119.11(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.8071e-01 T164 CA = 59.67(D), Expected = 62.15, Std = 2.7200, ChiSquare = 3.6189e-01 T164 CB = 68.70(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.8030e-01 T164 H = 8.92(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.9446e-01 T164 N = 115.15(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.1327e-01 P165 Typing: Mistyped P165 CA = 65.28(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.2731e-01 P165 CD = 43.71(S), Expected = 50.28, Std = 1.0400, ChiSquare = 2.6616e-10 S166 CA = 61.79(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.2880e-01 S166 CB = 61.94(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.3613e-01 S166 H = 8.68(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.2933e-01 S166 N = 112.05(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.8195e-01 E167 CA = 59.31(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.8813e-01 E167 CB = 30.22(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.3503e-01 E167 CG = 37.43(D), Expected = 36.01, Std = 1.5100, ChiSquare = 3.4701e-01 E167 H = 7.43(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.3575e-01 E167 N = 121.22(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.8334e-01 T168 CA = 65.66(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.9690e-01 T168 CB = 68.25(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.1356e-01 T168 CG2 = 22.82(D), Expected = 21.44, Std = 1.3900, ChiSquare = 3.2080e-01 T168 H = 8.36(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.8458e-01 T168 N = 110.19(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.7523e-01 A169 CA = 54.17(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.2393e-01 A169 CB = 19.67(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.7725e-01 A169 H = 7.62(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3371e-01 A169 N = 119.89(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.6668e-01 Q170 CA = 55.97(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.6662e-01 Q170 CB = 31.80(D), Expected = 29.10, Std = 1.9700, ChiSquare = 1.7051e-01 Q170 CG = 35.19(D), Expected = 33.72, Std = 1.1000, ChiSquare = 1.8143e-01 Q170 H = 7.08(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.5958e-02 Q170 HE21 = 7.00(D), Expected = 7.17, Std = 0.4600, ChiSquare = 7.1171e-01 Q170 HE22 = 7.68(D), Expected = 7.07, Std = 0.4900, ChiSquare = 2.1317e-01 Q170 N = 111.44(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.4454e-02 Q170 NE2 = 112.24(D), Expected = 111.81, Std = 2.2000, ChiSquare = 8.4504e-01 L171 CA = 55.75(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.6391e-01 L171 CB = 43.93(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.0163e-01 L171 CD1 = 26.08(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.2984e-01 L171 CD2 = 24.95(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.3299e-01 L171 H = 7.10(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.4875e-02 L171 N = 116.67(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.9201e-01 N172 CA = 51.89(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.2730e-01 N172 CB = 37.16(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.9940e-01 N172 H = 7.77(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.5597e-01 N172 N = 118.05(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.0696e-01 L173 CA = 57.44(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.1797e-01 L173 CB = 41.38(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.9455e-01 L173 CD1 = 25.81(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.2766e-01 L173 CD2 = 23.53(D), Expected = 24.10, Std = 1.7800, ChiSquare = 7.4880e-01 L173 H = 8.30(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.0205e-01 L173 N = 125.32(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.1185e-01 K174 CA = 57.53(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.5910e-01 K174 CB = 32.16(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.2155e-01 K174 CG = 25.32(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.5430e-01 K174 H = 7.88(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.9525e-01 K174 N = 115.21(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.4770e-01 K175 CA = 54.63(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.2599e-01 K175 CB = 33.30(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.0259e-01 K175 H = 7.50(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.6059e-01 K175 N = 115.57(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.7380e-01 V176 CA = 62.25(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.3969e-01 V176 CB = 32.55(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.5407e-01 V176 CG2 = 22.50(D), Expected = 21.31, Std = 1.7600, ChiSquare = 4.9895e-01 V176 H = 7.15(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.0835e-01 V176 N = 116.98(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.1535e-01 L177 CA = 54.73(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.7720e-01 L177 CB = 44.02(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.7503e-01 L177 H = 8.79(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.8053e-01 L177 N = 123.07(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.8884e-01 G178 CA = 45.40(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.6068e-01 G178 H = 6.97(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.4119e-02 G178 N = 100.77(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.3127e-02 F179 CA = 56.43(D), Expected = 58.25, Std = 2.7300, ChiSquare = 5.0499e-01 F179 CB = 44.15(D), Expected = 39.95, Std = 2.0400, ChiSquare = 3.9511e-02 F179 H = 7.80(D), Expected = 8.42, Std = 0.7400, ChiSquare = 4.0212e-01 F179 N = 114.83(D), Expected = 120.69, Std = 4.1800, ChiSquare = 1.6094e-01 I180 CA = 60.04(D), Expected = 61.59, Std = 2.7800, ChiSquare = 5.7715e-01 I180 CB = 41.13(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.2243e-01 I180 CG2 = 20.77(D), Expected = 17.36, Std = 1.6000, ChiSquare = 3.3069e-02 I180 H = 8.80(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.4692e-01 I180 N = 119.43(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.4570e-01 T181 CA = 58.64(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.9690e-01 T181 CB = 72.10(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.4788e-01 T181 H = 8.24(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.6141e-01 T181 HA = 6.35(S), Expected = 4.48, Std = 0.5000, ChiSquare = 1.8402e-04 T181 N = 111.42(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.9670e-01 D182 CA = 56.71(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.9701e-01 D182 CB = 41.50(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.3191e-01 D182 H = 8.10(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.8657e-01 D182 N = 124.07(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.2648e-01 A183 CA = 50.91(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.7473e-01 A183 CB = 20.89(D), Expected = 18.90, Std = 1.8500, ChiSquare = 2.8207e-01 A183 H = 8.57(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 A183 N = 121.95(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.2938e-01 G184 CA = 45.23(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.4386e-01 G184 H = 8.44(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.9251e-01 G184 N = 109.75(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.7025e-01 G185 H = 7.79(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.5733e-01 G185 N = 104.06(D), Expected = 109.91, Std = 4.2900, ChiSquare = 1.7268e-01 T187 CA = 60.74(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.0419e-01 T187 CB = 68.44(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.8026e-01 S188 CA = 58.51(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.7742e-01 S188 CB = 64.83(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.1179e-01 S188 H = 7.44(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.7038e-01 S188 N = 117.09(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.4148e-01 H189 CA = 60.68(D), Expected = 56.37, Std = 2.4000, ChiSquare = 7.2521e-02 H189 CB = 28.94(D), Expected = 29.95, Std = 2.1500, ChiSquare = 6.3852e-01 H189 H = 9.17(D), Expected = 8.25, Std = 0.7400, ChiSquare = 2.1378e-01 H189 N = 121.87(D), Expected = 119.44, Std = 4.5200, ChiSquare = 5.9085e-01 T190 H = 8.45(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.7157e-01 T190 N = 114.30(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.8161e-01 S191 CA = 62.98(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.7508e-02 I192 CA = 64.94(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.2819e-01 I192 CB = 38.44(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.4659e-01 I192 H = 7.97(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.8294e-01 I192 N = 120.97(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.9382e-01 M193 CA = 58.27(D), Expected = 56.16, Std = 2.3400, ChiSquare = 3.6721e-01 M193 CB = 31.44(D), Expected = 32.90, Std = 2.2300, ChiSquare = 5.1266e-01 M193 H = 8.34(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9393e-01 M193 N = 120.55(D), Expected = 120.10, Std = 3.8800, ChiSquare = 9.0767e-01 A194 CA = 56.68(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.7500e-02 A194 CB = 18.59(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.6692e-01 A194 H = 8.50(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1707e-01 A194 N = 121.80(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.9914e-01 R195 CA = 60.32(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.6201e-01 R195 CB = 30.96(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.6541e-01 R195 CD = 44.59(D), Expected = 43.10, Std = 1.1000, ChiSquare = 1.7556e-01 R195 H = 8.14(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.6763e-01 R195 N = 115.85(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.2227e-01 S196 CA = 61.94(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.1192e-01 S196 CB = 63.33(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.6466e-01 S196 H = 8.01(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.5155e-01 S196 N = 116.20(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.7980e-01 L197 CA = 54.69(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.6401e-01 L197 CB = 43.37(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.9083e-01 L197 CG = 26.92(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.0448e-01 L197 CD2 = 22.39(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.3672e-01 L197 H = 7.55(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.0265e-01 L197 N = 120.25(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.7079e-01 E198 CA = 57.72(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.9104e-01 E198 CB = 27.31(D), Expected = 30.07, Std = 1.8400, ChiSquare = 1.3361e-01 E198 H = 7.81(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.8493e-01 E198 N = 116.07(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.1031e-01 L199 CA = 51.27(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.7490e-02 L199 H = 8.13(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.8988e-01 L199 N = 119.48(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.3905e-01 P200 CA = 62.23(D), Expected = 63.30, Std = 1.6400, ChiSquare = 5.1412e-01 P200 CB = 32.79(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.2454e-01 A201 CA = 51.98(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.6677e-01 A201 CB = 22.33(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.3732e-02 A201 H = 8.67(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3343e-01 A201 N = 118.76(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.2701e-01 I202 CA = 61.24(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.9981e-01 I202 CB = 42.04(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.7823e-02 I202 H = 7.76(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.8129e-01 I202 N = 122.10(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.1564e-01 V203 CA = 57.89(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3108e-01 V203 CB = 34.21(D), Expected = 32.66, Std = 1.9100, ChiSquare = 4.1707e-01 V203 CG2 = 17.75(D), Expected = 21.31, Std = 1.7600, ChiSquare = 4.3101e-02 V203 H = 8.33(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.5507e-01 V203 N = 116.02(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.1342e-01 G204 CA = 48.83(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.3709e-02 G204 H = 7.37(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.8992e-01 G204 N = 106.14(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.7952e-01 T205 CA = 63.44(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.3531e-01 T205 CB = 71.22(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.5268e-01 T205 CG2 = 22.90(D), Expected = 21.44, Std = 1.3900, ChiSquare = 2.9355e-01 T205 H = 7.80(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.4841e-01 T205 N = 106.12(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.7824e-02 G206 CA = 47.56(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.1632e-01 G206 H = 9.97(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.7616e-02 G206 N = 115.28(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.1066e-01 S207 CA = 58.11(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.2822e-01 S207 CB = 64.17(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.1369e-01 S207 H = 7.77(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.0163e-01 S207 N = 112.50(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.3604e-01 V208 CA = 67.25(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.1663e-01 V208 CB = 30.55(D), Expected = 32.66, Std = 1.9100, ChiSquare = 2.6928e-01 V208 H = 7.85(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.3544e-01 V208 N = 127.36(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.0117e-01 T209 CA = 64.97(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.9985e-01 T209 CB = 69.51(D), Expected = 69.64, Std = 1.7000, ChiSquare = 9.3904e-01 T209 H = 9.74(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.7742e-02 T209 N = 112.88(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.7656e-01 S210 CA = 59.38(D), Expected = 58.57, Std = 2.1200, ChiSquare = 7.0241e-01 S210 CB = 64.53(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.4195e-01 S210 H = 7.63(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.8709e-01 S210 N = 114.17(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.8972e-01 Q211 CA = 56.86(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.1274e-01 Q211 CB = 32.62(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.3970e-02 Q211 CG = 34.99(D), Expected = 33.72, Std = 1.1000, ChiSquare = 2.4828e-01 Q211 H = 7.65(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.5791e-01 Q211 N = 119.06(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.3019e-01 V212 CA = 61.21(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.7612e-01 V212 CB = 34.88(D), Expected = 32.66, Std = 1.9100, ChiSquare = 2.4511e-01 V212 CG1 = 23.32(D), Expected = 21.38, Std = 1.5300, ChiSquare = 2.0481e-01 V212 H = 7.30(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.6321e-01 V212 N = 118.57(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.2134e-01 K213 CA = 53.91(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.9284e-01 K213 CB = 35.15(D), Expected = 32.83, Std = 1.8800, ChiSquare = 2.1719e-01 K213 CG = 24.37(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.8018e-01 K213 CD = 29.08(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.2912e-01 K213 CE = 42.47(D), Expected = 41.78, Std = 0.9800, ChiSquare = 4.8138e-01 K213 H = 8.86(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.1731e-01 K213 N = 124.05(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.8195e-01 N214 CA = 55.78(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.2576e-01 N214 CB = 39.09(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.0911e-01 N214 H = 8.46(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.8988e-01 N214 HD21 = 6.94(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.2568e-01 N214 HD22 = 7.45(D), Expected = 7.20, Std = 0.5200, ChiSquare = 6.3068e-01 N214 N = 118.16(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.2629e-01 N214 ND2 = 111.78(D), Expected = 112.83, Std = 2.6000, ChiSquare = 6.8633e-01 D215 CA = 57.68(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.3239e-01 D215 CB = 39.80(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8994e-01 D215 H = 8.84(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.7093e-01 D215 N = 116.34(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.9591e-01 D216 CA = 56.32(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.9137e-01 D216 CB = 42.23(D), Expected = 40.70, Std = 1.6700, ChiSquare = 3.5958e-01 D216 H = 7.89(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.4016e-01 D216 N = 120.84(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.7911e-01 Y217 CA = 59.23(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.4671e-01 Y217 CB = 39.83(D), Expected = 39.16, Std = 2.2300, ChiSquare = 7.6383e-01 Y217 H = 8.54(D), Expected = 8.37, Std = 0.7500, ChiSquare = 8.2068e-01 Y217 N = 122.76(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.7445e-01 L218 CA = 52.83(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.0195e-01 L218 CB = 45.74(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.0013e-02 L218 H = 8.58(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.7968e-01 L218 N = 126.80(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.3630e-01 I219 CA = 61.25(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.0266e-01 I219 CB = 39.83(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.4978e-01 I219 H = 7.95(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.6239e-01 I219 N = 114.56(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.3582e-01 L220 CA = 53.66(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.6788e-01 L220 CB = 44.18(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.3049e-01 L220 CD1 = 25.20(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.8343e-01 L220 CD2 = 26.55(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.6870e-01 L220 H = 9.07(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.9098e-01 L220 N = 130.27(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.1665e-02 D221 CA = 52.98(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.6336e-01 D221 CB = 40.56(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.3319e-01 D221 H = 8.59(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.4829e-01 D221 N = 124.41(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.8093e-01 A222 CA = 51.88(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.3436e-01 A222 CB = 18.35(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.6624e-01 A222 H = 8.38(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6418e-01 A222 N = 127.87(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.0982e-01 V223 CA = 65.51(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.1891e-01 V223 CB = 32.82(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.3324e-01 V223 H = 8.69(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.7318e-01 V223 N = 117.70(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.0327e-01 N224 CA = 53.37(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.7533e-01 N224 CB = 39.36(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.9413e-01 N224 H = 9.51(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.9457e-02 N224 N = 116.95(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.2186e-01 N225 CA = 53.15(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.8524e-01 N225 CB = 36.38(D), Expected = 38.66, Std = 1.7800, ChiSquare = 2.0023e-01 N225 H = 7.58(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.2422e-01 N225 N = 116.95(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.2186e-01 Q226 CA = 55.69(D), Expected = 56.62, Std = 2.1900, ChiSquare = 6.7109e-01 Q226 CB = 33.72(D), Expected = 29.10, Std = 1.9700, ChiSquare = 1.9018e-02 Q226 CG = 34.01(D), Expected = 33.72, Std = 1.1000, ChiSquare = 7.9206e-01 Q226 H = 8.70(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.3882e-01 Q226 HE21 = 6.54(D), Expected = 7.17, Std = 0.4600, ChiSquare = 1.7082e-01 Q226 HE22 = 7.17(D), Expected = 7.07, Std = 0.4900, ChiSquare = 8.3829e-01 Q226 N = 118.30(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.8622e-01 Q226 NE2 = 109.55(D), Expected = 111.81, Std = 2.2000, ChiSquare = 3.0429e-01 V227 CA = 60.80(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.8052e-01 V227 CB = 33.86(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.2983e-01 V227 CG1 = 22.51(D), Expected = 21.38, Std = 1.5300, ChiSquare = 4.6017e-01 V227 H = 7.85(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.3544e-01 V227 N = 120.97(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.9196e-01 Y228 CA = 57.28(D), Expected = 58.02, Std = 2.6400, ChiSquare = 7.7924e-01 Y228 CB = 39.44(D), Expected = 39.16, Std = 2.2300, ChiSquare = 9.0008e-01 Y228 H = 9.00(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.0091e-01 Y228 N = 126.40(D), Expected = 120.79, Std = 4.6900, ChiSquare = 2.3163e-01 V229 CA = 61.98(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.6936e-01 V229 CB = 32.85(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.2076e-01 V229 CG2 = 21.54(D), Expected = 21.31, Std = 1.7600, ChiSquare = 8.9603e-01 V229 H = 8.46(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.1077e-01 V229 N = 122.91(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.0317e-01 N230 CA = 55.02(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.1245e-01 N230 CB = 38.18(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.8742e-01 N230 H = 10.03(D), Expected = 8.37, Std = 0.6500, ChiSquare = 1.0654e-02 N230 N = 124.15(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.5606e-01 P231 CA = 62.15(D), Expected = 63.30, Std = 1.6400, ChiSquare = 4.8317e-01 P231 CB = 33.26(D), Expected = 31.81, Std = 1.5400, ChiSquare = 3.4642e-01 T232 CA = 60.97(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.6442e-01 T232 CB = 70.92(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.5149e-01 T232 H = 7.74(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.9264e-01 T232 N = 108.65(D), Expected = 115.70, Std = 5.0500, ChiSquare = 1.6270e-01 N233 CA = 56.87(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.6196e-02 N233 CB = 37.93(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.8172e-01 N233 H = 8.83(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.7914e-01 N233 HD21 = 6.84(D), Expected = 7.27, Std = 0.5200, ChiSquare = 4.0828e-01 N233 HD22 = 7.58(D), Expected = 7.20, Std = 0.5200, ChiSquare = 4.6492e-01 N233 N = 118.91(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.6030e-01 N233 ND2 = 111.82(D), Expected = 112.83, Std = 2.6000, ChiSquare = 6.9767e-01 E234 CA = 59.97(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.4427e-01 E234 CB = 29.40(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.1576e-01 E234 CG = 36.81(D), Expected = 36.01, Std = 1.5100, ChiSquare = 5.9625e-01 E234 H = 8.53(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.5544e-01 E234 N = 118.34(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.2486e-01 V235 CA = 66.71(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.6409e-01 V235 CB = 31.91(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.9456e-01 V235 CG1 = 23.62(D), Expected = 21.38, Std = 1.5300, ChiSquare = 1.4318e-01 V235 H = 7.18(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.1796e-01 V235 N = 121.55(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.1490e-01 I236 CA = 67.14(D), Expected = 61.59, Std = 2.7800, ChiSquare = 4.5890e-02 I236 CB = 38.09(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.1464e-01 I236 CG2 = 17.72(D), Expected = 17.36, Std = 1.6000, ChiSquare = 8.2198e-01 I236 H = 8.01(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.2475e-01 I236 N = 120.65(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.4049e-01 D237 CA = 58.04(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.3701e-02 D237 CB = 40.54(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.2367e-01 D237 H = 8.25(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.8838e-01 D237 N = 117.87(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.9590e-01 K238 CA = 59.67(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.0847e-01 K238 CB = 32.60(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.0263e-01 K238 CG = 25.21(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.1886e-01 K238 CD = 29.61(D), Expected = 28.78, Std = 1.3900, ChiSquare = 5.5043e-01 K238 H = 7.68(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.9881e-01 K238 N = 120.61(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.9355e-01 M239 CA = 55.56(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.9763e-01 M239 CB = 29.82(D), Expected = 32.90, Std = 2.2300, ChiSquare = 1.6723e-01 M239 H = 8.46(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.3888e-01 M239 N = 117.31(D), Expected = 120.10, Std = 3.8800, ChiSquare = 4.7210e-01 R240 CA = 59.27(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.3572e-01 R240 CB = 29.66(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.7209e-01 R240 CG = 27.41(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.5167e-01 R240 CD = 43.19(D), Expected = 43.10, Std = 1.1000, ChiSquare = 9.3479e-01 R240 H = 9.03(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.8795e-01 R240 N = 123.79(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.1485e-01 A241 CA = 55.36(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.8554e-01 A241 CB = 17.89(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.8510e-01 A241 H = 7.43(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9938e-01 A241 N = 121.65(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.6936e-01 V242 CA = 66.58(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.7744e-01 V242 H = 7.66(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.7490e-01 V242 N = 120.28(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.8140e-01 Q243 CA = 59.80(D), Expected = 56.62, Std = 2.1900, ChiSquare = 1.4649e-01 Q243 CB = 29.13(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.8785e-01 Q243 CG = 34.23(D), Expected = 33.72, Std = 1.1000, ChiSquare = 6.4291e-01 Q243 H = 8.40(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.7157e-01 Q243 HE21 = 6.78(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.9654e-01 Q243 HE22 = 7.50(D), Expected = 7.07, Std = 0.4900, ChiSquare = 3.8019e-01 Q243 N = 119.82(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.8010e-01 Q243 NE2 = 111.01(D), Expected = 111.81, Std = 2.2000, ChiSquare = 7.1613e-01 E244 CA = 59.30(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9065e-01 E244 CB = 29.77(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.7048e-01 E244 CG = 36.56(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.1568e-01 E244 H = 8.06(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.4622e-01 E244 N = 118.70(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.9055e-01 Q245 CA = 59.02(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.7313e-01 Q245 CB = 28.49(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.5683e-01 Q245 CG = 33.83(D), Expected = 33.72, Std = 1.1000, ChiSquare = 9.2034e-01 Q245 H = 7.92(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.2848e-01 Q245 HE21 = 6.69(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.9673e-01 Q245 HE22 = 7.54(D), Expected = 7.07, Std = 0.4900, ChiSquare = 3.3747e-01 Q245 N = 120.79(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.2824e-01 Q245 NE2 = 110.94(D), Expected = 111.81, Std = 2.2000, ChiSquare = 6.9251e-01 V246 CA = 65.68(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.9251e-01 V246 CB = 32.26(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.3412e-01 V246 CG1 = 22.83(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.4328e-01 V246 H = 8.41(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.6579e-01 V246 N = 119.64(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.8084e-01 A247 CA = 54.99(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7435e-01 A247 CB = 18.45(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.0782e-01 A247 H = 8.12(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9393e-01 A247 N = 122.50(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.4359e-01 S248 CA = 61.10(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.3271e-01 S248 CB = 63.42(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.0875e-01 S248 H = 8.15(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.2135e-01 S248 N = 114.71(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.8729e-01 E249 CA = 58.82(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.2265e-01 E249 CB = 29.89(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.2207e-01 E249 CG = 36.73(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.3349e-01 E249 H = 8.08(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.6994e-01 E249 N = 122.34(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.5193e-01 K250 CA = 58.74(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.9842e-01 K250 CB = 32.68(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.3641e-01 K250 CG = 25.30(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.6592e-01 K250 CD = 29.39(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.6077e-01 K250 CE = 42.37(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.4715e-01 K250 H = 8.00(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.3103e-01 K250 N = 119.59(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.0246e-01 A251 CA = 54.40(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.4721e-01 A251 CB = 18.66(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.9678e-01 A251 H = 7.97(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 A251 N = 122.40(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.2250e-01 E252 CA = 58.27(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.9792e-01 E252 CB = 29.82(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.9192e-01 E252 CG = 36.26(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.6850e-01 E252 H = 8.04(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.2286e-01 E252 N = 118.31(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.1956e-01 L253 CA = 56.91(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.6859e-01 L253 CB = 42.21(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.3145e-01 L253 CG = 27.30(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.7157e-01 L253 CD1 = 25.18(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.9243e-01 L253 CD2 = 23.65(D), Expected = 24.10, Std = 1.7800, ChiSquare = 8.0042e-01 L253 H = 7.91(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.3342e-01 L253 N = 120.31(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.8157e-01 A254 CA = 53.85(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.3766e-01 A254 CB = 18.75(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.3538e-01 A254 H = 7.82(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2652e-01 A254 N = 121.45(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.3046e-01 K255 CA = 57.37(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.1378e-01 K255 CB = 33.01(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.2372e-01 K255 CG = 25.30(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.6592e-01 K255 CD = 29.51(D), Expected = 28.78, Std = 1.3900, ChiSquare = 5.9946e-01 K255 CE = 42.33(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.7464e-01 K255 H = 7.61(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.4053e-01 K255 N = 117.40(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.6027e-01 L256 CA = 55.73(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.7112e-01 L256 CB = 42.44(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6998e-01 L256 CG = 27.14(D), Expected = 26.77, Std = 1.2500, ChiSquare = 7.6723e-01 L256 CD1 = 25.28(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.4773e-01 L256 CD2 = 23.50(D), Expected = 24.10, Std = 1.7800, ChiSquare = 7.3606e-01 L256 H = 7.76(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.7914e-01 L256 N = 120.45(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.0698e-01 K257 CA = 56.75(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.6809e-01 K257 CB = 33.32(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.9437e-01 K257 CG = 24.93(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.8782e-01 K257 CD = 29.32(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.9765e-01 K257 CE = 42.25(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.3152e-01 K257 H = 7.87(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.8446e-01 K257 N = 120.13(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.0212e-01 D258 CA = 54.81(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.9017e-01 D258 CB = 41.37(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.8827e-01 D258 H = 8.13(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.2568e-01 D258 N = 120.78(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.9050e-01 R259 CA = 57.66(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.6829e-01 R259 CB = 31.82(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.1223e-01 R259 CG = 27.29(D), Expected = 27.31, Std = 1.6500, ChiSquare = 9.9033e-01 R259 CD = 43.78(D), Expected = 43.10, Std = 1.1000, ChiSquare = 5.3646e-01 R259 H = 7.65(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.2544e-01 R259 N = 124.88(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.7357e-01 F2 CA = 57.76(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.5756e-01 F2 CB = 43.16(D), Expected = 39.95, Std = 2.0400, ChiSquare = 1.1560e-01 F2 H = 8.97(D), Expected = 8.42, Std = 0.7400, ChiSquare = 4.5733e-01 F2 N = 129.22(D), Expected = 120.69, Std = 4.1800, ChiSquare = 4.1284e-02 Q3 CA = 54.10(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.4986e-01 Q3 CB = 33.08(D), Expected = 29.10, Std = 1.9700, ChiSquare = 4.3352e-02 Q3 H = 7.62(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.3317e-01 Q3 N = 123.14(D), Expected = 119.92, Std = 4.0100, ChiSquare = 4.2198e-01 Q4 CA = 55.92(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.4925e-01 Q4 CB = 34.57(D), Expected = 29.10, Std = 1.9700, ChiSquare = 5.4922e-03 Q4 CG = 35.03(D), Expected = 33.72, Std = 1.1000, ChiSquare = 2.3369e-01 Q4 H = 8.52(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.2848e-01 Q4 N = 119.68(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.5228e-01 E5 CA = 55.18(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.0639e-01 E5 CB = 32.72(D), Expected = 30.07, Std = 1.8400, ChiSquare = 1.4981e-01 E5 CG = 37.24(D), Expected = 36.01, Std = 1.5100, ChiSquare = 4.1532e-01 E5 H = 8.23(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.5690e-01 E5 N = 122.44(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.3246e-01 V6 CA = 60.67(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.5158e-01 V6 CB = 35.44(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.4553e-01 V6 CG1 = 21.84(D), Expected = 21.38, Std = 1.5300, ChiSquare = 7.6368e-01 V6 CG2 = 20.71(D), Expected = 21.31, Std = 1.7600, ChiSquare = 7.3317e-01 V6 H = 9.19(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.0494e-01 V6 N = 121.05(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.9517e-01 T7 CA = 62.09(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.8240e-01 T7 CB = 69.68(D), Expected = 69.64, Std = 1.7000, ChiSquare = 9.8123e-01 T7 CG2 = 21.28(D), Expected = 21.44, Std = 1.3900, ChiSquare = 9.0836e-01 T7 H = 8.09(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.7157e-01 T7 N = 122.09(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.0575e-01 I8 CA = 62.00(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.8275e-01 I8 CB = 37.38(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.6586e-01 I8 CG1 = 28.00(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.8008e-01 I8 CG2 = 17.84(D), Expected = 17.36, Std = 1.6000, ChiSquare = 7.6418e-01 I8 H = 8.64(D), Expected = 8.26, Std = 0.7100, ChiSquare = 5.9250e-01 I8 N = 126.35(D), Expected = 121.60, Std = 4.7200, ChiSquare = 3.1424e-01 T9 CA = 61.78(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.9180e-01 T9 CB = 69.78(D), Expected = 69.64, Std = 1.7000, ChiSquare = 9.3437e-01 T9 CG2 = 21.77(D), Expected = 21.44, Std = 1.3900, ChiSquare = 8.1234e-01 T9 H = 8.63(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.6148e-01 T9 N = 120.17(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.7608e-01 A10 CA = 51.17(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.3403e-01 A10 CB = 18.78(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.4828e-01 A10 H = 7.33(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4706e-01 A10 N = 129.53(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.8624e-02 P11 CA = 65.46(D), Expected = 63.30, Std = 1.6400, ChiSquare = 1.8781e-01 P11 CB = 32.30(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.5035e-01 P11 CG = 27.62(D), Expected = 27.14, Std = 1.1800, ChiSquare = 6.8417e-01 N12 CA = 52.95(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.0458e-01 N12 CB = 38.74(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.6415e-01 N12 H = 8.60(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.2345e-01 N12 N = 114.27(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.7153e-01 G13 CA = 45.59(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.5472e-01 G13 H = 7.89(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.4312e-01 G13 N = 106.32(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.0269e-01 L14 CA = 53.78(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.9747e-01 L14 CB = 41.17(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.1882e-01 L14 H = 7.95(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.7786e-01 L14 N = 122.61(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.7699e-01 H15 CA = 55.25(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.4074e-01 H15 CB = 30.54(D), Expected = 29.95, Std = 2.1500, ChiSquare = 7.8376e-01 H15 H = 7.03(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.9220e-02 H15 N = 120.90(D), Expected = 119.44, Std = 4.5200, ChiSquare = 7.4669e-01 T16 CA = 68.19(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.6379e-02 T16 CB = 68.99(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.0220e-01 T16 CG2 = 22.70(D), Expected = 21.44, Std = 1.3900, ChiSquare = 3.6468e-01 T16 H = 7.81(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.5813e-01 T16 N = 113.21(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2196e-01 R17 CA = 61.56(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.5766e-02 P18 CA = 65.49(D), Expected = 63.30, Std = 1.6400, ChiSquare = 1.8176e-01 P18 CB = 31.42(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.0008e-01 A19 CA = 55.91(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.8189e-01 A19 CB = 18.07(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.5368e-01 A19 H = 8.24(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 A19 N = 121.15(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.7401e-01 A20 CA = 55.59(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.3815e-01 A20 CB = 18.22(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.1320e-01 A20 H = 8.23(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 A20 N = 119.25(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.8207e-01 Q21 CA = 59.09(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.5938e-01 Q21 CB = 28.36(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.0719e-01 Q21 CG = 33.69(D), Expected = 33.72, Std = 1.1000, ChiSquare = 9.7824e-01 Q21 H = 7.59(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.0957e-01 Q21 N = 117.50(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.4618e-01 F22 CA = 62.43(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.2574e-01 F22 CB = 39.72(D), Expected = 39.95, Std = 2.0400, ChiSquare = 9.1023e-01 F22 H = 8.42(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.0000e+00 F22 N = 121.10(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.2186e-01 V23 CA = 65.48(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.2372e-01 V23 CB = 32.26(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.3412e-01 V23 H = 8.31(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.7753e-01 V23 N = 119.08(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.9570e-01 K24 CA = 60.62(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.2957e-02 K24 CB = 32.69(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4064e-01 K24 CG = 25.76(D), Expected = 24.91, Std = 1.3100, ChiSquare = 5.1643e-01 K24 CE = 42.17(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.9066e-01 K24 H = 8.02(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.5466e-01 K24 N = 118.39(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.0033e-01 E25 CA = 59.17(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.2424e-01 E25 CB = 29.30(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.7560e-01 E25 CG = 37.18(D), Expected = 36.01, Std = 1.5100, ChiSquare = 4.3844e-01 E25 H = 8.07(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.5804e-01 E25 N = 117.39(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.7131e-01 A26 CA = 55.87(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.8833e-01 A26 CB = 18.92(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.9137e-01 A26 H = 8.74(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6812e-01 A26 N = 124.40(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.5184e-01 K27 CA = 59.16(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.0249e-01 K27 CB = 32.98(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.3641e-01 K27 H = 7.98(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.0766e-01 K27 N = 112.44(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.3867e-02 G28 CA = 45.39(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.6630e-01 G28 H = 7.51(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.6202e-01 G28 N = 105.51(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.0506e-01 F29 CA = 57.73(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.4894e-01 F29 CB = 40.51(D), Expected = 39.95, Std = 2.0400, ChiSquare = 7.8369e-01 F29 H = 7.33(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.4076e-01 F29 N = 119.28(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.3588e-01 T30 CA = 64.19(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.5325e-01 T30 CB = 69.56(D), Expected = 69.64, Std = 1.7000, ChiSquare = 9.6247e-01 T30 CG2 = 22.19(D), Expected = 21.44, Std = 1.3900, ChiSquare = 5.8949e-01 T30 H = 10.90(S), Expected = 8.27, Std = 0.6200, ChiSquare = 2.2160e-05 T30 N = 118.65(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.5911e-01 S31 CA = 61.59(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.5429e-01 S31 CB = 65.88(D), Expected = 63.80, Std = 1.5700, ChiSquare = 1.8522e-01 S31 H = 9.04(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.2640e-01 S31 N = 119.81(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.7421e-01 E32 CA = 56.44(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.5452e-01 E32 CB = 30.60(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.7331e-01 E32 CG = 36.29(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.5289e-01 E32 H = 7.83(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.0312e-01 E32 N = 121.37(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.5127e-01 I33 CA = 60.81(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.7904e-01 I33 CB = 41.97(D), Expected = 38.58, Std = 2.0900, ChiSquare = 1.0480e-01 I33 CG2 = 18.76(D), Expected = 17.36, Std = 1.6000, ChiSquare = 3.8157e-01 I33 H = 9.12(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.2579e-01 I33 N = 128.13(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.6652e-01 T34 CA = 61.68(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.6281e-01 T34 CB = 71.84(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.9562e-01 T34 CG2 = 22.05(D), Expected = 21.44, Std = 1.3900, ChiSquare = 6.6077e-01 T34 H = 9.64(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.7128e-02 T34 N = 124.67(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.5694e-02 V35 CA = 61.17(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.6653e-01 V35 CB = 33.70(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.8610e-01 V35 CG1 = 22.06(D), Expected = 21.38, Std = 1.5300, ChiSquare = 6.5672e-01 V35 H = 9.29(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.5900e-01 V35 N = 125.86(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.2916e-01 T36 CA = 61.26(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.4351e-01 T36 CB = 71.44(D), Expected = 69.64, Std = 1.7000, ChiSquare = 2.8968e-01 T36 CG2 = 21.07(D), Expected = 21.44, Std = 1.3900, ChiSquare = 7.9010e-01 T36 H = 8.88(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.2518e-01 T36 N = 121.96(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.1512e-01 S37 CA = 57.17(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.0901e-01 S37 CB = 65.48(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.8459e-01 S37 H = 9.02(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.3903e-01 S37 N = 118.99(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.9586e-01 N38 CA = 54.59(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.4988e-01 N38 CB = 38.04(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.2760e-01 N38 H = 9.64(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.0719e-02 N38 N = 126.93(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.7613e-02 G39 CA = 45.75(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.6740e-01 G39 H = 8.53(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.9737e-01 G39 N = 102.96(D), Expected = 109.91, Std = 4.2900, ChiSquare = 1.0522e-01 K40 CA = 55.38(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.1641e-01 K40 CB = 35.35(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.8011e-01 K40 CG = 25.13(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.6663e-01 K40 CD = 29.45(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.2980e-01 K40 CE = 42.36(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.5396e-01 K40 H = 7.89(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.0612e-01 K40 N = 122.44(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.5547e-01 S41 CA = 57.29(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.4599e-01 S41 CB = 66.99(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.2169e-02 S41 H = 8.30(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.8713e-01 S41 N = 115.80(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.9927e-01 A42 CA = 51.17(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.3403e-01 A42 CB = 23.92(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.6574e-03 A42 H = 9.06(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5176e-01 A42 N = 123.44(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.5474e-01 S43 CA = 57.32(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.5544e-01 S43 CB = 64.46(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.7421e-01 S43 H = 8.36(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.1011e-01 S43 N = 114.15(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.8623e-01 A44 CA = 53.17(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.9613e-01 A44 CB = 20.42(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.1129e-01 A44 H = 8.40(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3888e-01 A44 N = 127.00(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.0824e-01 K45 CA = 56.10(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.4224e-01 K45 CB = 33.32(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.9437e-01 K45 H = 7.60(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.3267e-01 K45 N = 107.64(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.0035e-03 S46 CA = 55.05(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.6839e-02 S46 CB = 64.79(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.2832e-01 S46 H = 7.22(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.4382e-02 S46 N = 113.29(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.4605e-01 L47 CA = 58.23(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.4304e-01 L47 CB = 42.90(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.7569e-01 L47 CD1 = 27.24(D), Expected = 24.73, Std = 1.7100, ChiSquare = 1.4215e-01 L47 H = 8.83(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.4801e-01 L47 N = 130.73(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.1565e-02 F48 CA = 60.98(D), Expected = 58.25, Std = 2.7300, ChiSquare = 3.1731e-01 F48 CB = 40.18(D), Expected = 39.95, Std = 2.0400, ChiSquare = 9.1023e-01 F48 H = 8.17(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.3549e-01 F48 N = 115.87(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.4887e-01 L50 CA = 58.67(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.7178e-01 L50 CB = 42.63(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.8883e-01 L50 CD1 = 26.44(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.1731e-01 L50 CD2 = 25.15(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.5527e-01 L50 H = 8.70(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.6023e-01 L50 N = 122.57(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.8474e-01 Q51 CA = 58.24(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.5947e-01 Q51 CB = 28.98(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.5143e-01 Q51 CG = 34.51(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.7265e-01 Q51 H = 7.63(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.4129e-01 Q51 N = 112.12(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.1759e-02 T52 CA = 63.08(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.3242e-01 T52 CB = 69.69(D), Expected = 69.64, Std = 1.7000, ChiSquare = 9.7654e-01 T52 CG2 = 22.11(D), Expected = 21.44, Std = 1.3900, ChiSquare = 6.2980e-01 T52 H = 7.25(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.9937e-02 T52 N = 106.52(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.9092e-02 L53 CA = 55.37(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.9918e-01 L53 CB = 42.55(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.2291e-01 L53 CG = 27.70(D), Expected = 26.77, Std = 1.2500, ChiSquare = 4.5688e-01 L53 CD2 = 23.62(D), Expected = 24.10, Std = 1.7800, ChiSquare = 7.8742e-01 L53 H = 7.33(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.7093e-01 L53 N = 119.62(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.6201e-01 G54 CA = 47.26(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.7410e-01 G54 H = 8.12(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.6624e-01 G54 N = 107.45(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.6636e-01 L55 CA = 54.03(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.6354e-01 L55 CB = 40.87(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.1998e-01 L55 CG = 26.25(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.7741e-01 L55 CD2 = 23.88(D), Expected = 24.10, Std = 1.7800, ChiSquare = 9.0164e-01 L55 H = 8.12(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.7773e-01 L55 N = 124.24(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.7870e-01 Q57 CA = 58.88(D), Expected = 56.62, Std = 2.1900, ChiSquare = 3.0209e-01 Q57 CB = 28.36(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.0719e-01 Q57 CG = 34.24(D), Expected = 33.72, Std = 1.1000, ChiSquare = 6.3641e-01 Q57 H = 8.73(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.1075e-01 Q57 N = 121.95(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.1269e-01 G58 CA = 44.98(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.0531e-01 G58 H = 9.17(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.6202e-01 G58 N = 115.43(D), Expected = 109.91, Std = 4.2900, ChiSquare = 1.9819e-01 V60 CA = 62.62(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.6327e-01 V60 CB = 32.30(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.5050e-01 V60 CG1 = 21.37(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.9479e-01 V60 H = 8.48(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.8900e-01 V60 N = 127.43(D), Expected = 121.02, Std = 4.9600, ChiSquare = 1.9624e-01 V61 CA = 59.49(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.2534e-01 V61 CB = 34.59(D), Expected = 32.66, Std = 1.9100, ChiSquare = 3.1227e-01 V61 CG1 = 23.11(D), Expected = 21.38, Std = 1.5300, ChiSquare = 2.5817e-01 V61 CG2 = 21.32(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.9547e-01 V61 H = 9.23(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.8552e-01 V61 N = 125.89(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.2617e-01 T62 CA = 62.51(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.9471e-01 T62 CB = 70.39(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.5909e-01 T62 CG2 = 21.79(D), Expected = 21.44, Std = 1.3900, ChiSquare = 8.0120e-01 T62 H = 8.80(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.9264e-01 T62 N = 118.34(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.0113e-01 I63 CA = 60.94(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.1513e-01 I63 CB = 38.66(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.6947e-01 I63 H = 8.96(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.2417e-01 I63 N = 129.02(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.1594e-01 S64 CA = 56.08(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.4018e-01 S64 CB = 66.24(D), Expected = 63.80, Std = 1.5700, ChiSquare = 1.2015e-01 S64 H = 9.00(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.5214e-01 S64 N = 121.06(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.2818e-01 A65 CA = 50.53(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.0171e-01 A65 CB = 25.53(S), Expected = 18.90, Std = 1.8500, ChiSquare = 3.3865e-04 A65 H = 9.11(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2935e-01 A65 N = 123.99(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.3726e-01 E66 CA = 54.59(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.9627e-01 E66 CB = 33.69(D), Expected = 30.07, Std = 1.8400, ChiSquare = 4.9138e-02 E66 CG = 37.03(D), Expected = 36.01, Std = 1.5100, ChiSquare = 4.9936e-01 E66 H = 8.33(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.8692e-01 E66 N = 119.02(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.5193e-01 G67 CA = 45.61(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.4368e-01 G67 H = 10.06(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.0108e-02 G67 N = 118.36(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.8873e-02 D69 CA = 51.32(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.2756e-01 D69 CB = 40.06(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.0155e-01 D69 H = 7.22(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.1491e-02 D69 N = 113.88(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.0290e-01 Q71 CA = 59.12(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.5364e-01 Q71 CB = 27.26(D), Expected = 29.10, Std = 1.9700, ChiSquare = 3.5030e-01 Q71 CG = 32.71(D), Expected = 33.72, Std = 1.1000, ChiSquare = 3.5852e-01 Q71 H = 7.68(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.8377e-01 Q71 HG3 = 1.08(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.9040e-05 Q71 N = 119.26(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.6927e-01 K72 CA = 58.83(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.7646e-01 K72 CB = 32.55(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.8160e-01 K72 CG = 25.33(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.4851e-01 K72 CD = 29.48(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.1454e-01 K72 CE = 42.26(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.2428e-01 K72 H = 7.38(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.8935e-01 K72 N = 118.62(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.3657e-01 A73 CA = 54.21(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.1026e-01 A73 CB = 18.64(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.8823e-01 A73 H = 8.25(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3359e-01 A73 HA = 1.92(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.5266e-08 A73 N = 120.54(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.6721e-01 V74 CA = 67.64(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.9627e-02 V74 CB = 32.18(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.0158e-01 V74 CG1 = 23.19(D), Expected = 21.38, Std = 1.5300, ChiSquare = 2.3681e-01 V74 H = 7.21(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.2823e-01 V74 N = 115.39(D), Expected = 121.02, Std = 4.9600, ChiSquare = 2.5634e-01 E75 CA = 60.46(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.6510e-01 E75 CB = 29.73(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.5340e-01 E75 CG = 37.53(D), Expected = 36.01, Std = 1.5100, ChiSquare = 3.1412e-01 E75 H = 8.18(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.9309e-01 E75 N = 116.34(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.3826e-01 L77 CA = 57.84(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.2171e-01 L77 CB = 40.97(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.5164e-01 L77 CD1 = 21.11(D), Expected = 24.73, Std = 1.7100, ChiSquare = 3.4263e-02 L77 CD2 = 26.79(D), Expected = 24.10, Std = 1.7800, ChiSquare = 1.3073e-01 L77 H = 7.95(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.7786e-01 L77 N = 118.64(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.1185e-01 V78 CA = 67.16(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.2369e-01 V78 CB = 31.80(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.5252e-01 V78 CG1 = 23.90(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.9546e-02 V78 H = 8.90(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.9026e-01 V78 N = 119.33(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.3331e-01 K79 CA = 59.76(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.9436e-01 K79 CB = 32.31(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.8209e-01 K79 CG = 25.18(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.3671e-01 K79 CD = 29.63(D), Expected = 28.78, Std = 1.3900, ChiSquare = 5.4086e-01 K79 CE = 42.30(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.9569e-01 K79 H = 7.19(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.0753e-01 K79 N = 120.06(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.8898e-01 M81 CA = 58.77(D), Expected = 56.16, Std = 2.3400, ChiSquare = 2.6469e-01 M81 CB = 33.46(D), Expected = 32.90, Std = 2.2300, ChiSquare = 8.0172e-01 M81 CG = 34.26(D), Expected = 32.07, Std = 1.4500, ChiSquare = 1.3096e-01 M81 H = 8.01(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.7692e-01 M81 N = 115.97(D), Expected = 120.10, Std = 3.8800, ChiSquare = 2.8713e-01 A82 CA = 54.04(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.6924e-01 A82 H = 7.88(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9380e-01 A82 N = 118.71(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.2185e-01 L84 CA = 56.19(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.0696e-01 L84 CB = 43.27(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.2848e-01 L84 CG = 26.47(D), Expected = 26.77, Std = 1.2500, ChiSquare = 8.1033e-01 L84 CD1 = 23.77(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.7452e-01 L84 H = 7.20(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.1659e-01 L84 N = 121.36(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.7892e-01 E85 CA = 57.98(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.9818e-01 E85 CB = 32.82(D), Expected = 30.07, Std = 1.8400, ChiSquare = 1.3503e-01 E85 H = 7.75(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.3344e-01 E85 N = 125.33(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.0638e-01