Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.34 N 0.32 L 0.14 F 0.09 Y 0.07 K 0.01 C Shift Assignments>> C :: 172.4 CA :: 53.49(D) CB :: 40.1(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.E2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.17 E 0.16 W 0.15 Q 0.13 M 0.09 K 0.07 HN Overlap>> 1.V200 1.V200 C Shift Assignments>> C :: 176.56 CA :: 56.52(D) CB :: 30.48(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8109(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 172.72 CA :: 45.47(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6561(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.14(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 E 0.26 Q 0.12 K 0.11 N 0.08 Y 0.05 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 174.81 CA :: 54.78(D) CB :: 35.52(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8516(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.54(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 K 0.23 Y 0.21 I 0.1 L 0.08 R 0.06 D 0.02 C Shift Assignments>> C :: 174.26 CA :: 59.52(D) CB :: 41.74(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4041(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.21(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.42 CA :: 61.4(D) CB :: 69.61(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.837(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.11(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 K 0.12 E 0.1 Q 0.1 I 0.09 M 0.08 Y 0.04 W 0.02 R 0.02 F 0.01 H 0.01 C Shift Assignments>> C :: 173.16 CA :: 60.52(D) CB :: 34.63(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.269(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.65(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.16 Y 0.12 F 0.11 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 173.19 CA :: 54.01(D) CB :: 38.49(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.937(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 131.06(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 L 0.39 G 0.05 K 0.02 P 0.01 C Shift Assignments>> C :: 173.1 CA :: 49.5(D) CB :: 22.99(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8435(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.25(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 L 0.08 M 0.02 C Shift Assignments>> C :: 179.09 CA :: 52.64(D) CB :: 20.8(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6894(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.85(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.47 A 0.42 I 0.05 V 0.02 L 0.01 C Shift Assignments>> C :: 179.41 CA :: 55.83(D) CB :: 19.06(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9069(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.29 CA :: 60.03(D) CB :: 63.49(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.8382(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.31(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 K 0.19 R 0.17 D 0.16 F 0.09 Y 0.06 N 0.01 C Shift Assignments>> C :: 174.87 CA :: 55.53(D) CB :: 42.41(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3216(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.48(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.98 CA :: 65.93(D) CB :: 70.03(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.2488(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.61(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.3 D 0.09 I 0.08 N 0.07 L 0.05 E 0.02 M 0.01 C Shift Assignments>> C :: 176.41 CA :: 56.99(D) CB :: 38.86(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.1068(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.36(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.4 I 0.02 HN Overlap>> 1.F212 1.F212 C Shift Assignments>> C :: 179.07 CA :: 54.79(D) CB :: 18.7(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7796(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.66(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.14 R 0.14 W 0.13 E 0.12 M 0.06 L 0.01 C Shift Assignments>> C :: 179.1 CA :: 55.19(D) CB :: 29.46(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.663(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 113.13(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 W 0.18 K 0.14 E 0.12 Q 0.11 H 0.09 R 0.08 L 0.01 M 0.01 V 0.01 C Shift Assignments>> C :: 178.64 CA :: 59.48(D) CB :: 28.49(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7281(D) HE21 :: 6.8611 HE22 :: 7.2842 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.52(D) NE2 :: 111.555 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.26 L 0.14 D 0.12 K 0.07 I 0.06 N 0.02 C Shift Assignments>> C :: 179.53 CA :: 57.43(D) CB :: 40.52(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.5317(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.71(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.93 Y 0.02 F 0.02 V 0.01 HN Overlap>> 1.T74 1.T74 C Shift Assignments>> C :: 177.08 CA :: 65.83(D) CB :: 38.25(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.6469(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.08(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.35 I 0.06 V 0.02 C Shift Assignments>> C :: 180.58 CA :: 55.98(D) CB :: 18.84(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.842(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.21(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.4 CA :: 66.5(D) CB :: 68.89(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1886(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.16(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 W 0.16 K 0.13 R 0.13 Q 0.12 E 0.11 H 0.09 L 0.03 M 0.01 HN Overlap>> 1.Q95 1.Q95 C Shift Assignments>> C :: 177.58 CA :: 59.01(D) CB :: 28.16(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0123(D) HE21 :: 6.938 HE22 :: 7.7639 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.73(D) NE2 :: 113.0467 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.57 F 0.21 Y 0.19 C Shift Assignments>> C :: 177.44 CA :: 62.11(D) CB :: 39.98(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.2134(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.84(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 W 0.15 V 0.14 R 0.13 M 0.12 H 0.1 E 0.1 Q 0.04 C Shift Assignments>> C :: 179.72 CA :: 59.11(D) CB :: 32.11(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2065(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.36(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 V 0.18 W 0.12 M 0.12 R 0.11 H 0.08 Q 0.08 E 0.07 C Shift Assignments>> C :: 178.14 CA :: 59.28(D) CB :: 32.58(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6582(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.66(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 R 0.16 E 0.14 H 0.13 K 0.12 M 0.1 Q 0.07 V 0.06 I 0.01 C Shift Assignments>> C :: 178.12 CA :: 58.56(D) CB :: 31.3(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0801(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.66(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.32 Q 0.25 K 0.19 H 0.07 R 0.07 W 0.03 E 0.01 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> C :: 178.05 CA :: 54.2(D) CB :: 33.64(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4164(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.37(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.26 CA :: 46.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0287(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.88(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> V 0.29 I 0.2 E 0.16 Y 0.08 K 0.07 M 0.05 Q 0.05 F 0.03 W 0.01 C Shift Assignments>> C :: 173.49 CA :: 60.85(D) CB :: 35.2(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.0609(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.07(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.19 R 0.19 K 0.14 F 0.06 Y 0.04 N 0.01 G 0.01 C Shift Assignments>> C :: 174.09 CA :: 54.79(D) CB :: 42.58(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1328(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.24(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 K 0.11 P 0.08 W 0.07 Q 0.06 M 0.05 R 0.04 H 0.03 E 0.02 I 0.01 HN Overlap>> 1.V209 1.V209 C Shift Assignments>> C :: 175.57 CA :: 60.88(D) CB :: 33.23(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1546(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.18(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 P 0.1 K 0.09 W 0.07 Q 0.05 M 0.04 R 0.04 H 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 174.86 CA :: 61.07(D) CB :: 33.2(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.356(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 131.44(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 173.93 CA :: 56.98(D) CB :: 66.46(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2188(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.64(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.4 CA :: 59.5(D) CB :: 65.01(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4748(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.48(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.21 K 0.16 D 0.15 F 0.08 Y 0.05 G 0.01 N 0.01 C Shift Assignments>> C :: 175.96 CA :: 55.48(D) CB :: 42.62(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.3363(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.02(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 L 0.03 M 0.01 C Shift Assignments>> C :: 176.14 CA :: 50.9(D) CB :: 20.71(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9692(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.94(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.92 CA :: 58.84(D) CB :: 62.73(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6069(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.98(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.93 P 0.06 C Shift Assignments>> C :: 174.15 CA :: 53.64 CB :: 64.13(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.4027(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 126.36(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.86 CA :: 57.96(D) CB :: 60.12(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.017 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.9 Ave N Shift Values>> N :: 116.28(3.52) 1.T41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.18 CA :: 65.14(D) CB :: 68.88(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.1709(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.73(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.31 L 0.22 K 0.15 F 0.12 Y 0.08 D 0.06 G 0.02 I 0.01 HN Overlap>> 1.A157 1.A157 C Shift Assignments>> C :: 178.1 CA :: 57.4(D) CB :: 42.89(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9635(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.31(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.26 L 0.07 V 0.05 I 0.02 T 0.01 C Shift Assignments>> C :: 179.91 CA :: 55.58(D) CB :: 19.91(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0991(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.79(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 E 0.16 R 0.13 H 0.12 Q 0.1 K 0.09 I 0.06 V 0.04 M 0.03 C Shift Assignments>> C :: 179.86 CA :: 59.27(D) CB :: 30.02(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8872(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.91(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.15 I 0.15 E 0.13 Q 0.12 H 0.1 R 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 179.19 CA :: 59.08(D) CB :: 28.53(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2002(D) HE21 :: 6.3385 HE22 :: 6.8895 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.18(D) NE2 :: 108.7659 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.93 Y 0.02 V 0.02 F 0.02 C Shift Assignments>> C :: 179.81 CA :: 65.89(D) CB :: 37.99(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3845(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.77(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.16 K 0.12 H 0.12 R 0.12 Q 0.11 I 0.08 M 0.03 V 0.02 HN Overlap>> 1.K135 1.K135 C Shift Assignments>> C :: 176.43 CA :: 59.15(D) CB :: 29.61(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4892(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.62(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 HN Overlap>> 1.S57 1.S57 C Shift Assignments>> C :: 177.25 CA :: 52.3(D) CB :: 18.84(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4255(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.57(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 174.48 CA :: 45.15(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7828(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.25(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 M 0.04 C Shift Assignments>> C :: 177.04 CA :: 50.6(D) CB :: 19.2(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.21(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.32(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.43 V 0.19 P 0.14 W 0.11 E 0.02 R 0.02 K 0.02 H 0.02 Q 0.01 C Shift Assignments>> C :: 175.12 CA :: 62.83(D) CB :: 29.61(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.13 C Shift Assignments>> C :: 173.99 CA :: 51.66(D) CB :: 18.15(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.7351(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.71(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.34 R 0.16 D 0.05 F 0.03 Y 0.01 HN Overlap>> 1.K28 1.K28 C Shift Assignments>> C :: 175.7 CA :: 55.11(D) CB :: 44.53(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.44(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.28(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.13 C Shift Assignments>> C :: 173.56 CA :: 53.78(D) CB :: 48.32(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3912(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.74(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.25 R 0.18 G 0.08 K 0.05 N 0.03 F 0.03 Y 0.01 C Shift Assignments>> C :: 173.42 CA :: 52.43(D) CB :: 42.99(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.7962(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.88(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.3 I 0.28 L 0.02 K 0.02 D 0.01 C Shift Assignments>> C :: 173.93 CA :: 60.14(D) CB :: 40.29(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5549(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.17(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 172.7 CA :: 54.16(D) CB :: 65.06(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3538(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.54(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 M 0.03 L 0.01 C Shift Assignments>> C :: 175.5 CA :: 51.41(D) CB :: 20.05(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7061(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.92(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.23 R 0.18 G 0.13 K 0.03 F 0.03 N 0.03 Y 0.01 C Shift Assignments>> C :: 175.94 CA :: 52.25(D) CB :: 43.16(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2303(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 112.84(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.28 L 0.26 Q 0.12 W 0.07 H 0.07 K 0.06 E 0.05 I 0.04 C Shift Assignments>> C :: 178.12 CA :: 56.66 CB :: 26.81(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.5097(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.77(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 K 0.18 W 0.12 M 0.11 R 0.1 Q 0.08 H 0.08 E 0.06 P 0.01 C Shift Assignments>> C :: 179.43 CA :: 59.58(D) CB :: 32.62(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6741(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.3(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 W 0.14 R 0.09 K 0.08 E 0.07 Q 0.06 H 0.05 P 0.05 L 0.01 V 0.01 C Shift Assignments>> C :: 177.98 CA :: 60.43(D) CB :: 27.99(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.1329(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.03(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 M 0.15 K 0.14 W 0.13 E 0.12 Q 0.08 V 0.01 C Shift Assignments>> C :: 177.21 CA :: 56.4(D) CB :: 31.54(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.0508(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.15(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.33 I 0.1 D 0.08 L 0.07 N 0.03 C Shift Assignments>> C :: 178.33 CA :: 57.6(D) CB :: 39.45(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.0818(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.88(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 Y 0.23 F 0.22 C Shift Assignments>> C :: 176.26 CA :: 61.47(D) CB :: 39.28(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.1247(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.09(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A66 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 C Shift Assignments>> C :: 179.32 CA :: 55.57(D) CB :: 17.99(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6266(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.26(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.37 I 0.02 HN Overlap>> 1.E160 1.E160 C Shift Assignments>> C :: 180.8 CA :: 65.71(D) CB :: 31.81(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7044(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.9(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.2 L 0.18 D 0.15 K 0.14 I 0.03 N 0.02 R 0.01 C Shift Assignments>> C :: 177.51 CA :: 56.99(D) CB :: 40.93(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6812(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.18(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.22 Q 0.18 R 0.18 W 0.14 M 0.1 E 0.1 K 0.04 C Shift Assignments>> C :: 175.36 CA :: 53.45(D) CB :: 29.84(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.3521(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.69(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 R 0.17 W 0.15 H 0.14 E 0.14 L 0.08 I 0.05 M 0.02 C Shift Assignments>> C :: 176.18 CA :: 56.95(D) CB :: 28.22(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2018(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.27(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 L 0.04 M 0.02 C Shift Assignments>> C :: 176.92 CA :: 51.82(D) CB :: 20.67(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7325(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.59(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 L 0.19 D 0.18 K 0.13 N 0.03 I 0.02 C Shift Assignments>> C :: 174.49 CA :: 56.68(D) CB :: 40.85(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6799(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.32 L 0.14 F 0.07 Y 0.05 K 0.01 C Shift Assignments>> C :: 177.74 CA :: 52.84(D) CB :: 40.4(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.7281(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.75(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.I20 1.I20 C Shift Assignments>> C :: 176.15 CA :: 65.82(D) CB :: 68.2(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.6962(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.12(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.32 I 0.01 C Shift Assignments>> C :: 178.54 CA :: 54.15(D) CB :: 18.6(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3937(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.21(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.23 CA :: 61.11(D) CB :: 71.12(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8512(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.44(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 W 0.15 E 0.15 Q 0.12 M 0.1 K 0.09 V 0.01 C Shift Assignments>> C :: 176.2 CA :: 56.4(D) CB :: 30.75(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.2804(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.26(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 K 0.25 R 0.12 H 0.12 W 0.06 E 0.04 Q 0.03 V 0.01 C Shift Assignments>> C :: 174.53 CA :: 54.8(D) CB :: 33.07(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.0807(D) HE21 :: 7.3209 HE22 :: 6.9096 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.41(D) NE2 :: 112.0324 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.6 CA :: 64.69(D) CB :: 67.69(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1986(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.49(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.16 F 0.01 C Shift Assignments>> C :: 175.75 CA :: 56.11(D) CB :: 46.44(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.2788(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.95(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.34 CA :: 52.54(D) CB :: 47.05(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.838(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.78(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.3 G 0.24 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.34 CA :: 43.95(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.807(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.91(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N83 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.98 L 0.01 C Shift Assignments>> C :: 173.59 CA :: 50.59(D) CB :: 45.72(S) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.524(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.57(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 172.49 CA :: 56.09(D) CB :: 66.63(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8954(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.86(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.13 HN Overlap>> 1.A149 1.A149 C Shift Assignments>> C :: 175.62 CA :: 54.06(D) CB :: 47.08(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4557(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.22(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 Y 0.14 I 0.13 M 0.09 F 0.07 K 0.07 V 0.05 Q 0.04 C Shift Assignments>> C :: 173.36 CA :: 59.08(D) CB :: 35.91(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.3438(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.02(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 K 0.19 Q 0.12 M 0.11 W 0.09 R 0.08 H 0.06 E 0.04 P 0.01 HN Overlap>> 1.V198 1.V198 C Shift Assignments>> C :: 176.74 CA :: 59.7(D) CB :: 33.09(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8428(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.98(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.41 M 0.15 Y 0.11 K 0.08 F 0.06 Q 0.05 I 0.04 V 0.01 N 0.01 HN Overlap>> 1.Y170 1.Y170 C Shift Assignments>> C :: 173.21 CA :: 57.36(D) CB :: 35.95(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.2418(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.15(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 G 0.38 L 0.05 HN Overlap>> 1.Y213 1.Y213 C Shift Assignments>> C :: 173.78 CA :: 48.61(D) CB :: 21.87(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7743(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.24(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.46 V 0.46 W 0.02 I 0.01 C Shift Assignments>> C :: 178.04 CA :: 63.17(D) CB :: 32.22(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 K 0.15 W 0.13 R 0.1 M 0.09 H 0.07 E 0.06 Q 0.05 P 0.03 C Shift Assignments>> C :: 176.2 CA :: 59.96(D) CB :: 32.46(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7923(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.38(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 177.78 CA :: 51.89(D) CB :: 18.75(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4486(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.95(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.99 CA :: 57.49(D) CB :: 64.24(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6899(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.89(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 P 0.22 W 0.14 I 0.06 R 0.05 E 0.05 H 0.04 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 176.11 CA :: 61.58(D) CB :: 31.11(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.448(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.09(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Suspicious PRTL>> H 0.17 Q 0.16 R 0.15 E 0.14 W 0.14 K 0.12 M 0.06 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 174.79 CA :: 55.98(D) CB :: 29.77(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0283(D) HE21 :: 6.616 HE22 :: 8.8201(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.73(D) NE2 :: 118.3494(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 Q 0.27 K 0.19 E 0.08 H 0.04 R 0.04 W 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 176 CA :: 55.18(D) CB :: 34.39(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2609(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.98(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.24 K 0.12 F 0.11 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.43 CA :: 54.73(D) CB :: 41.14(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1114(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.93(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.25 K 0.18 F 0.12 Y 0.09 N 0.05 R 0.03 HN Overlap>> 1.N162 1.Y196 1.N162 1.Y196 C Shift Assignments>> C :: 173.1 CA :: 55.29(D) CB :: 41.42(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.5176(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.74(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.E121 1.E121 C Shift Assignments>> C :: 173.98 CA :: 61.28(D) CB :: 70.48(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.312(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.08(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 Y 0.24 F 0.21 E 0.01 C Shift Assignments>> C :: 173.27 CA :: 61.14(D) CB :: 38.66(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.7767(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.91(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.25 N 0.11 K 0.11 F 0.06 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.83 CA :: 53.37(D) CB :: 41.53(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.1144(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.44(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.14 CA :: 60.92(D) CB :: 63.37(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6788(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.85(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 K 0.21 Q 0.15 R 0.12 H 0.11 W 0.07 E 0.04 V 0.01 C Shift Assignments>> C :: 177.03 CA :: 55.29(D) CB :: 32.73(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7301(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.98(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.63 CA :: 65.55(D) CB :: 70.15(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6438(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.69(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.75 M 0.1 E 0.03 Y 0.02 F 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 175.06 CA :: 50.59(D) CB :: 36.33(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.8317(D) HD21 :: 6.8327 HD22 :: 7.6414 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.68(D) ND2 :: 112.1364 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 V 0.15 E 0.12 I 0.11 R 0.11 H 0.09 Q 0.06 K 0.04 P 0.04 M 0.03 C Shift Assignments>> C :: 177.76 CA :: 60.59(D) CB :: 30.41(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.859(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.13(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.66 CA :: 66.73(D) CB :: 68.23(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.4673(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.29(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.51 CA :: 60.56(D) CB :: 63.07(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4865(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.37(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.22 R 0.15 F 0.14 D 0.1 Y 0.09 I 0.01 C Shift Assignments>> C :: 178.32 CA :: 56.95(D) CB :: 42.21(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.4131(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.38(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.24 D 0.15 R 0.12 F 0.12 Y 0.08 N 0.01 C Shift Assignments>> C :: 178.83 CA :: 56.21(D) CB :: 42.1(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7404(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.17(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 D 0.13 Y 0.11 F 0.09 L 0.03 E 0.03 M 0.02 HN Overlap>> 1.Y228 1.Y228 C Shift Assignments>> C :: 175.19 CA :: 53.77(D) CB :: 38.17(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.7153(D) HD21 :: 6.7519 HD22 :: 7.5526 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.37(D) ND2 :: 112.5846 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 175.02 CA :: 45.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9246(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.57(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.3 G 0.09 D 0.06 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> C :: 171.55 CA :: 43.48(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9775(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.46(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.25 K 0.17 E 0.1 H 0.03 R 0.03 N 0.02 W 0.01 Y 0.01 C Shift Assignments>> C :: 173.65 CA :: 54.73(D) CB :: 34.6(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9744(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.5(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.12 D 0.02 R 0.02 C Shift Assignments>> C :: 175.77 CA :: 52.28(D) CB :: 44.87(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0492(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.11(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 L 0.1 M 0.01 C Shift Assignments>> C :: 176.33 CA :: 52.15(D) CB :: 21.03(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7878(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.94(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 E 0.26 F 0.18 I 0.17 M 0.04 K 0.01 N 0.01 C Shift Assignments>> C :: 176.88 CA :: 58.4(D) CB :: 37.19(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9206(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.35(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 172.49 CA :: 44.93(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9985(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.26 N 0.11 K 0.11 F 0.05 R 0.04 Y 0.03 C Shift Assignments>> C :: 176.38 CA :: 52.8(D) CB :: 41.8(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5572(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.43(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.54 P 0.43 W 0.01 C Shift Assignments>> C :: 175.02 CA :: 64.18(D) CB :: 32.69(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.17 E 0.16 W 0.16 Q 0.14 M 0.08 K 0.07 HN Overlap>> 1.T99 1.T99 C Shift Assignments>> C :: 177.59 CA :: 56.74(D) CB :: 30.39(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3552(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.09(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.24 K 0.22 M 0.19 V 0.08 E 0.07 R 0.04 H 0.04 W 0.04 Y 0.01 I 0.01 C Shift Assignments>> C :: 172.16 CA :: 58.23(D) CB :: 34.12(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.6255(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 111.33(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 K 0.17 Q 0.11 M 0.1 W 0.08 R 0.06 H 0.05 E 0.03 P 0.02 I 0.01 C Shift Assignments>> C :: 176.02 CA :: 60.08(D) CB :: 33.32(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3493(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.57(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.72 P 0.25 I 0.01 C Shift Assignments>> C :: 176.83 CA :: 66.44(D) CB :: 31.97 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 M 0.21 V 0.18 L 0.15 T 0.09 I 0.03 C Shift Assignments>> C :: 181.46 CA :: 56.56(D) CB :: 20.33(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4569(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.14(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G126 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 :: 174.56 CA :: 47.38(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6071(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.84(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.9 V 0.04 Y 0.02 F 0.02 C Shift Assignments>> C :: 180.32 CA :: 65.66(D) CB :: 37.53(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2063(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.07(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 F 0.29 Y 0.28 L 0.01 HN Overlap>> 1.F225 1.F225 C Shift Assignments>> C :: 177.37 CA :: 60.77(D) CB :: 39.88(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.0023(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.22(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.53 M 0.42 I 0.02 C Shift Assignments>> C :: 177.76 CA :: 54.96(D) CB :: 18.69(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0524(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.59(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.2 K 0.18 W 0.12 M 0.11 R 0.1 H 0.08 Q 0.08 E 0.07 P 0.01 C Shift Assignments>> C :: 177.28 CA :: 59.42(D) CB :: 32.59(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6518(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.7(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.15 K 0.13 H 0.11 Q 0.11 R 0.11 I 0.09 M 0.02 V 0.02 C Shift Assignments>> C :: 179.14 CA :: 59.2(D) CB :: 29.45(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7165(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.63(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.2 L 0.02 C Shift Assignments>> C :: 180 CA :: 54.32(D) CB :: 19.54(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7216(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.41(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 F 0.18 L 0.17 R 0.14 Y 0.13 D 0.06 I 0.02 C Shift Assignments>> C :: 180.42 CA :: 57.84(D) CB :: 42.14(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8623(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.66(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 W 0.19 K 0.14 E 0.12 Q 0.1 H 0.09 R 0.07 V 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 179.92 CA :: 59.72(D) CB :: 28.71(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.9879(D) HE21 :: 6.3438 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.37(D) NE2 :: 111.1999 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 K 0.16 W 0.14 R 0.11 M 0.09 H 0.08 E 0.08 Q 0.04 P 0.02 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 179.25 CA :: 59.72(D) CB :: 32.24(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4014(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.62(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.29 D 0.12 K 0.1 F 0.07 Y 0.04 G 0.02 C Shift Assignments>> C :: 177.09 CA :: 55.55(D) CB :: 43.02(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1954(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.45(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.6 CA :: 46.14(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7707(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.44(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.5 L 0.46 K 0.02 C Shift Assignments>> C :: 177.24 CA :: 51.84(D) CB :: 22.43(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3275(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.77(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 V 0.14 E 0.13 R 0.13 H 0.1 K 0.07 Q 0.06 I 0.05 M 0.05 P 0.02 C Shift Assignments>> C :: 176.11 CA :: 60.04(D) CB :: 30.88(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.4942(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.07(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.32 D 0.1 L 0.09 I 0.09 N 0.03 K 0.01 C Shift Assignments>> C :: 178.32 CA :: 57.51(D) CB :: 39.77(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6845(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.14(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T141 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 :: 64.49(D) CB :: 69.27(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.5893(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.45(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 R 0.27 G 0.19 D 0.07 F 0.04 Y 0.02 K 0.01 HN Overlap>> 1.A176 1.A176 C Shift Assignments>> C :: 177.14 CA :: 55.29(D) CB :: 44.08(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3748(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.14 CA :: 60.98(D) CB :: 63.17(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0787(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.22(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.5 V 0.44 I 0.01 W 0.01 C Shift Assignments>> C :: 177.02 CA :: 64.2(D) CB :: 31.87(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 K 0.19 Q 0.18 H 0.1 R 0.1 W 0.05 E 0.02 C Shift Assignments>> C :: 174.56 CA :: 54.09(D) CB :: 33.03(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.163(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.76(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.27 D 0.16 K 0.07 F 0.05 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 177.47 CA :: 54.51(D) CB :: 43.14(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1612(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.4(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.7 G 0.28 M 0.01 C Shift Assignments>> C :: 172.81 CA :: 48.4(D) CB :: 19.23(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6362(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.55(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.55 P 0.18 K 0.06 W 0.05 Q 0.02 R 0.02 M 0.02 H 0.02 E 0.01 I 0.01 C Shift Assignments>> C :: 176.8 CA :: 61.62(D) CB :: 33.03(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.47 A 0.46 K 0.03 P 0.01 G 0.01 HN Overlap>> 1.L85 1.L85 C Shift Assignments>> C :: 177.58 CA :: 49.9(D) CB :: 23.07(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5144(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.31(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 E 0.17 R 0.15 H 0.14 Q 0.12 K 0.08 M 0.05 I 0.03 V 0.02 C Shift Assignments>> C :: 175.52 CA :: 58.32(D) CB :: 30.21(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.9125(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.46(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.27 K 0.14 R 0.11 F 0.06 N 0.04 Y 0.03 C Shift Assignments>> C :: 176.64 CA :: 53.82(D) CB :: 42.27(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.7362(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.66(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 P 0.33 I 0.01 C Shift Assignments>> C :: 176.74 CA :: 65.93(D) CB :: 31.98(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.8263(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.61(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.17 H 0.16 W 0.12 E 0.1 R 0.1 L 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 180.06 CA :: 55(D) CB :: 28.49(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9141(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.11(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.12 CA :: 46.69(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5836(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.62(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.73 A 0.22 I 0.03 C Shift Assignments>> C :: 177.84 CA :: 55.05(D) CB :: 16.61(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2081(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.16(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 L 0.21 K 0.13 F 0.12 Y 0.08 D 0.05 G 0.03 I 0.01 C Shift Assignments>> C :: 178.33 CA :: 57.72(D) CB :: 43.04(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8943(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.64(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 M 0.41 I 0.01 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 179.3 CA :: 54.52(D) CB :: 18.36(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9058(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.36(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 L 0.17 K 0.16 F 0.15 Y 0.1 D 0.03 G 0.02 I 0.02 C Shift Assignments>> C :: 178.84 CA :: 58.29(D) CB :: 42.85(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1778(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.74(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.5 V 0.44 I 0.02 W 0.01 C Shift Assignments>> C :: 179.58 CA :: 64.52(D) CB :: 31.55(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.121(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.28(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 E 0.15 R 0.13 H 0.11 V 0.08 Q 0.08 I 0.08 K 0.06 M 0.03 P 0.01 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 179.37 CA :: 59.86(D) CB :: 30.29(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.69(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.98(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 W 0.14 E 0.13 M 0.13 Q 0.11 K 0.1 V 0.01 C Shift Assignments>> C :: 175.61 CA :: 56.37(D) CB :: 31.02(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9591(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.69(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 Y 0.16 F 0.13 D 0.1 E 0.07 M 0.03 L 0.03 I 0.01 HN Overlap>> 1.Y196 1.F98 1.Y196 1.F98 C Shift Assignments>> C :: 174.88 CA :: 54.56(D) CB :: 37.9(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5004(D) HD21 :: 6.6234 HD22 :: 7.4497 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.78(D) ND2 :: 111.2638 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 E 0.16 W 0.16 Q 0.12 M 0.09 K 0.08 V 0.01 C Shift Assignments>> C :: 175.83 CA :: 56.94(D) CB :: 30.65(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5083(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.28(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 L 0.14 G 0.08 C Shift Assignments>> C :: 174.94 CA :: 49.24(D) CB :: 22.18(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3457(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.03(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.55 P 0.39 W 0.01 C Shift Assignments>> C :: 176.42 CA :: 63.47(D) CB :: 32.91(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L166 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.09 C Shift Assignments>> C :: 175.99 CA :: 52.32(D) CB :: 49.6(S) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1275(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.44(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 171.21 CA :: 45.5(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6479(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.15(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 Y 0.26 F 0.22 E 0.01 C Shift Assignments>> C :: 175.2 CA :: 60.77(D) CB :: 38.47(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5618(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.28(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 M 0.22 K 0.21 E 0.1 R 0.04 H 0.04 V 0.04 W 0.03 Y 0.02 C Shift Assignments>> C :: 173.64 CA :: 57.29(D) CB :: 34.36(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2952(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.28(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.31 D 0.11 L 0.1 I 0.08 N 0.03 K 0.01 HN Overlap>> 1.V88 1.V88 C Shift Assignments>> C :: 180.08 CA :: 57.44(D) CB :: 39.85(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.2815(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.25(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.38 G 0.36 A 0.14 N 0.05 L 0.01 D 0.01 C Shift Assignments>> C :: 177.74 CA :: 48.22(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4107(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.7(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177 CA :: 61.04(D) CB :: 60.03(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8615(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.82(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 R 0.21 F 0.17 L 0.16 Y 0.12 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 177.25 CA :: 58.32(D) CB :: 42.48(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.5108(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.61(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.22 C Shift Assignments>> C :: 178.56 CA :: 53.7(D) CB :: 18.91(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.9637(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.26(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 P 0.44 I 0.03 W 0.01 C Shift Assignments>> C :: 177.74 CA :: 65.24(D) CB :: 31.47(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.2576(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.12(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.13 L 0.01 HN Overlap>> 1.L142 1.L142 C Shift Assignments>> C :: 177.62 CA :: 53.44(D) CB :: 19.44 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4355(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.48(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.04 CA :: 56.75(D) CB :: 64.64 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3394(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.01(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.2 R 0.14 H 0.13 Q 0.1 W 0.09 E 0.07 V 0.01 C Shift Assignments>> C :: 177.61 CA :: 55.69(D) CB :: 32.35(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7813(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.34(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.87 CA :: 45.47(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8282(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.49(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 Y 0.2 I 0.12 F 0.12 M 0.07 K 0.03 V 0.01 Q 0.01 C Shift Assignments>> C :: 173.3 CA :: 58.31(D) CB :: 36.58(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.4232(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.03(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 E 0.18 M 0.18 Y 0.06 K 0.04 F 0.04 Q 0.02 D 0.01 C Shift Assignments>> C :: 174.44 CA :: 53.36(D) CB :: 36.28(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.1924(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.92(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.48 V 0.46 W 0.02 I 0.01 C Shift Assignments>> C :: 177.05 CA :: 63.55(D) CB :: 32.25(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9166(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.31(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 K 0.15 W 0.1 M 0.08 Q 0.08 R 0.07 H 0.05 E 0.04 P 0.03 C Shift Assignments>> C :: 173.12 CA :: 60.21(D) CB :: 32.9(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.706(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.16(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 A 0.4 K 0.03 C Shift Assignments>> C :: 175.55 CA :: 52.55(D) CB :: 22.44(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4875(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.76(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.55 CA :: 61.41(D) CB :: 70.85(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3552(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.95(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.28 I 0.16 E 0.09 D 0.02 N 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 174.52 CA :: 58.06(D) CB :: 38.13(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.0518(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.23(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.51 P 0.33 W 0.04 K 0.02 R 0.01 H 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 179.11 CA :: 62.22(D) CB :: 32.55 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.16 H 0.12 K 0.12 R 0.12 Q 0.12 I 0.07 M 0.03 V 0.02 C Shift Assignments>> C :: 176.08 CA :: 58.99(D) CB :: 29.62(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3579(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.69(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.32 L 0.12 F 0.1 Y 0.09 C Shift Assignments>> C :: 176.71 CA :: 53.76 CB :: 39.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2166 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.89 Ave N Shift Values>> N :: 120.65(3.86) 1.S190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.85 CA :: 59.81 CB :: 65.08 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7539 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.72 Ave N Shift Values>> N :: 116.28(3.52) 1.H191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 H 0.17 R 0.16 K 0.14 W 0.09 Q 0.06 E 0.04 P 0.01 C Shift Assignments>> C :: 173.24 CA :: 53.09 CB :: 31.99 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.9909 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 112.62 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.2 R 0.14 H 0.13 W 0.1 Q 0.08 E 0.08 V 0.02 C Shift Assignments>> C :: 177.59 CA :: 56.56(D) CB :: 32.28(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.7372 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.92 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.2 Q 0.16 R 0.1 H 0.09 W 0.08 E 0.05 V 0.04 C Shift Assignments>> C :: 176.88 CA :: 57.38(D) CB :: 32.93(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.844(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.88(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 V 0.17 W 0.13 P 0.1 E 0.03 R 0.02 K 0.02 H 0.02 Q 0.01 C Shift Assignments>> C :: 175.9 CA :: 62.6(D) CB :: 29.52(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8877(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.52(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E195 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 M 0.18 Y 0.14 F 0.09 K 0.04 D 0.03 Q 0.01 I 0.01 C Shift Assignments>> C :: 172.51 CA :: 54.29(D) CB :: 36.68(S) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.1727(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.94(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.N162 1.N162 1.F98 1.F98 H Shift Assignments>> H :: 8.4302 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.78 Ave N Shift Values>> N :: 120.52(4.2) 1.P197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.44 K 0.12 W 0.08 P 0.07 Q 0.06 M 0.06 R 0.05 H 0.04 E 0.03 I 0.01 C Shift Assignments>> C :: 172.94 CA :: 60.75(D) CB :: 33(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.27 M 0.21 Q 0.16 K 0.15 Y 0.05 V 0.02 F 0.02 H 0.02 I 0.02 R 0.01 W 0.01 HN Overlap>> 1.V87 1.V87 C Shift Assignments>> C :: 172.17 CA :: 57.11(D) CB :: 35.17(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8951(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.01(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A199 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.42 P 0.28 K 0.13 R 0.08 Q 0.02 H 0.02 W 0.01 C Shift Assignments>> C :: 174.71 CA :: 51.74(D) CB :: 25.5(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3744(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.41(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.2 W 0.05 K 0.05 R 0.02 Q 0.02 M 0.02 H 0.02 E 0.01 I 0.01 HN Overlap>> 1.E2 1.E2 C Shift Assignments>> C :: 175.06 CA :: 61.68(D) CB :: 32.95 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8192(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.48 P 0.46 W 0.02 C Shift Assignments>> C :: 175.65 CA :: 63.38(D) CB :: 32.39(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9172(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.33(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.17 E 0.15 Q 0.14 H 0.12 R 0.1 I 0.07 M 0.02 L 0.01 C Shift Assignments>> C :: 177.5 CA :: 58.33(D) CB :: 28.85(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3008(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.23(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 C Shift Assignments>> C :: 176.51 CA :: 45.17(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.863(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.42(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.16 H 0.14 R 0.13 W 0.11 E 0.09 L 0.09 M 0.02 I 0.01 C Shift Assignments>> C :: 172.93 CA :: 55.12(D) CB :: 28.35(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.6428(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.04(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.69 D 0.07 Y 0.06 F 0.05 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 174.82 CA :: 52.77(D) CB :: 37.58(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.3277(D) HD21 :: 7.4074 HD22 :: 6.2919 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.56(D) ND2 :: 109.1139 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.3 L 0.08 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.81 CA :: 51.71(D) CB :: 39.93(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.7039(D) HD21 :: 7.572 HD22 :: 7.0068 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.31(D) ND2 :: 116.6286 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.46 A 0.44 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 180.28 CA :: 55.71(D) CB :: 19.05(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7706(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.43(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.47 CA :: 66.56(D) CB :: 68.4(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2777(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.52(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 P 0.08 I 0.01 HN Overlap>> 1.V32 1.V32 C Shift Assignments>> C :: 178.51 CA :: 66.99(D) CB :: 33.23(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1743(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.07(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 M 0.14 V 0.12 W 0.12 R 0.12 H 0.09 Q 0.09 E 0.07 C Shift Assignments>> C :: 177.57 CA :: 58.81(D) CB :: 32.54(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.8822(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.27(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A211 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>> C :: 181.17 CA :: 55.04(D) CB :: 18.16(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7031(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.15(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 F 0.31 Y 0.29 L 0.01 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 175.47 CA :: 60.56(D) CB :: 40.03(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7875(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.66(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 Y 0.22 F 0.19 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 177.13 CA :: 61.48(D) CB :: 38.68(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.8181(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.32(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.28 D 0.15 L 0.12 I 0.05 N 0.05 K 0.01 C Shift Assignments>> C :: 179.63 CA :: 56.93(D) CB :: 39.91(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.0117(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.39(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 Y 0.22 F 0.22 C Shift Assignments>> C :: 178.96 CA :: 61.54(D) CB :: 39.35(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8509(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.85(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.2 F 0.18 Y 0.13 D 0.12 R 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 175.83 CA :: 57.06(D) CB :: 41.63(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8454(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 K 0.2 R 0.13 H 0.13 Q 0.12 W 0.08 E 0.05 V 0.01 C Shift Assignments>> C :: 176.96 CA :: 55.14(D) CB :: 32.52(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.8334(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.28(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.15 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 173.36 CA :: 44.95(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6501(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.62(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.48 V 0.48 I 0.01 W 0.01 C Shift Assignments>> C :: 179.58 CA :: 64.49(D) CB :: 32.06 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Q220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 R 0.19 W 0.13 Q 0.09 K 0.07 E 0.07 H 0.06 L 0.06 P 0.01 C Shift Assignments>> C :: 179.32 CA :: 59.42(D) CB :: 27.44(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7653(D) HE21 :: 7.701 HE22 :: 7.0276 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.83(D) NE2 :: 113.6297 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.4 I 0.01 C Shift Assignments>> C :: 178.3 CA :: 54.51(D) CB :: 18.44(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2858(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.28(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.34 I 0.06 V 0.01 C Shift Assignments>> C :: 179.5 CA :: 55.88(D) CB :: 18.6(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9929(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.59(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.16 R 0.12 H 0.12 Q 0.11 K 0.11 I 0.07 M 0.03 V 0.02 C Shift Assignments>> C :: 179.27 CA :: 59.03(D) CB :: 29.77(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.383(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.81(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.92 Y 0.02 F 0.02 V 0.02 C Shift Assignments>> C :: 177.8 CA :: 65.58(D) CB :: 37.99(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.2351(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.02(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 Y 0.2 F 0.16 E 0.01 HN Overlap>> 1.Y128 1.Y128 C Shift Assignments>> C :: 179.16 CA :: 61.68(D) CB :: 38.27(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.9805(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.15(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 K 0.17 W 0.12 M 0.1 R 0.1 H 0.07 Q 0.07 E 0.06 P 0.01 C Shift Assignments>> C :: 180.97 CA :: 59.71(D) CB :: 32.61(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5672(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.79(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.17 H 0.13 R 0.13 Q 0.12 K 0.11 I 0.06 M 0.03 V 0.02 C Shift Assignments>> C :: 178.07 CA :: 58.84(D) CB :: 29.76(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0198(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.25(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 Y 0.29 F 0.27 HN Overlap>> 1.N111 1.N111 C Shift Assignments>> C :: 173.88 CA :: 60.48 CB :: 39.13 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7153(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.37(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.96 CA :: 45.68(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7387(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.48(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.26 K 0.13 L 0.1 I 0.09 D 0.06 R 0.01 C Shift Assignments>> C :: 175.85 CA :: 58.49(D) CB :: 40.92(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9172(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.71(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.72 CA :: 60.24(D) CB :: 70.08(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8959(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.97(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 Y 0.31 F 0.23 E 0.07 M 0.01 C Shift Assignments>> C :: 175.91 CA :: 59.67(D) CB :: 37.95(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5038(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.83(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.2 R 0.13 Q 0.12 H 0.11 W 0.09 E 0.07 V 0.03 C Shift Assignments>> C :: 181.12 CA :: 56.94(D) CB :: 32.55(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.4733(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 132.58(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.MOO1 Overall Status: Residue type MOO not supported. ########################################################################### Overall Results: #Consistent: 4 #Clerical: 222 #Suspicious: 6 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 230 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 233 #Suspicious: 0 C Shift Results: #Consistent: 248 #Duplicate: 428 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 28 #Duplicate: 214 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 17 #Duplicate: 216 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.D1 CA = 53.49(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.5443e-01 1.D1 CB = 40.1(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.3017e-01 1.E2 CA = 56.52(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.0189e-01 1.E2 CB = 30.48(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.8466e-01 1.E2 H = 8.8109(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1502e-01 1.E2 N = 121.5(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1149e-01 1.G3 CA = 45.47(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2864e-01 1.G3 H = 8.6561(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.1588e-01 1.G3 N = 110.14(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0334e-01 1.K4 CA = 54.78(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2395e-01 1.K4 CB = 35.52(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2510e-01 1.K4 H = 7.8516(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7275e-01 1.K4 N = 120.54(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9239e-01 1.I5 CA = 59.52(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.3548e-01 1.I5 CB = 41.74(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.2366e-01 1.I5 H = 8.4041(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.5519e-01 1.I5 N = 123.21(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8263e-01 1.T6 CA = 61.4(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.5155e-01 1.T6 CB = 69.61(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.4131e-01 1.T6 H = 9.837(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0001e-02 1.T6 N = 124.11(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7329e-02 1.V7 CA = 60.52(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9094e-01 1.V7 CB = 34.63(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8848e-01 1.V7 H = 9.269(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4396e-01 1.V7 N = 129.65(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0869e-02 1.F8 CA = 54.01(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1327e-01 1.F8 CB = 38.49(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.7294e-01 1.F8 H = 8.937(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2291e-01 1.F8 N = 131.06(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1140e-02 1.A9 CA = 49.5(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6006e-02 1.A9 CB = 22.99(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.9640e-02 1.A9 H = 8.8435(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8350e-01 1.A9 N = 128.25(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5617e-01 1.A10 CA = 52.64(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0064e-01 1.A10 CB = 20.8(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2800e-01 1.A10 H = 7.6894(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9477e-01 1.A10 N = 123.85(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6097e-01 1.A11 CA = 55.83(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7428e-01 1.A11 CB = 19.06(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.7820e-01 1.A11 H = 7.9069(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2520e-01 1.A11 N = 125.3(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.5872e-01 1.S12 CA = 60.03(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.2683e-01 1.S12 CB = 63.49(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.3409e-01 1.S12 H = 9.8382(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2658e-03 1.S12 N = 113.31(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.9881e-01 1.L13 CA = 55.53(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6630e-01 1.L13 CB = 42.41(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5758e-01 1.L13 H = 9.3216(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3077e-02 1.L13 N = 125.48(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5330e-01 1.T14 CA = 65.93(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.5202e-01 1.T14 CB = 70.03(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5398e-01 1.T14 H = 7.2488(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0989e-01 1.T14 N = 115.61(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6809e-01 1.N15 CA = 56.99(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.6490e-02 1.N15 CB = 38.86(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1987e-01 1.N15 H = 7.1068(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.0293e-02 1.N15 N = 116.36(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.2366e-01 1.A16 CA = 54.79(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0466e-01 1.A16 CB = 18.7(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6548e-01 1.A16 H = 7.7796(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8351e-01 1.A16 N = 120.66(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6785e-01 1.M17 CA = 55.19(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.7993e-01 1.M17 CB = 29.46(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.1505e-01 1.M17 H = 8.663(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.0180e-01 1.M17 N = 113.13(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.1226e-02 1.Q18 CA = 59.48(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.7389e-01 1.Q18 CB = 28.49(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0052e-01 1.Q18 H = 7.7281(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.0443e-01 1.Q18 N = 120.52(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6108e-01 1.D19 CA = 57.43(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7709e-01 1.D19 CB = 40.52(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2414e-01 1.D19 H = 7.5317(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.7963e-01 1.D19 N = 121.71(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.8361e-01 1.I20 CA = 65.83(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1534e-01 1.I20 CB = 38.25(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.5078e-01 1.I20 H = 8.6469(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.8950e-01 1.I20 N = 124.08(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.4044e-01 1.A21 CA = 55.98(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.5147e-01 1.A21 CB = 18.84(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2599e-01 1.A21 H = 8.842(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8462e-01 1.A21 N = 123.21(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9549e-01 1.T22 CA = 66.5(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8431e-02 1.T22 CB = 68.89(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.0632e-01 1.T22 H = 8.1886(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.3393e-01 1.T22 N = 117.16(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1413e-01 1.Q23 CA = 59.01(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5421e-01 1.Q23 CB = 28.16(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.7144e-01 1.Q23 H = 8.0123(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.2481e-01 1.Q23 N = 123.73(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.8612e-01 1.F24 CA = 62.11(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1686e-01 1.F24 CB = 39.98(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.9618e-01 1.F24 H = 9.2134(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.3591e-01 1.F24 N = 121.84(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.3948e-01 1.K25 CA = 59.11(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2619e-01 1.K25 CB = 32.11(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.0244e-01 1.K25 H = 8.2065(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7806e-01 1.K25 N = 120.36(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.5478e-01 1.K26 CA = 59.28(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8956e-01 1.K26 CB = 32.58(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0609e-01 1.K26 H = 7.6582(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7544e-01 1.K26 N = 120.66(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.1761e-01 1.E27 CA = 58.56(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5298e-01 1.E27 CB = 31.3(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5325e-01 1.E27 H = 8.0801(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7189e-01 1.E27 N = 116.66(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4920e-01 1.K28 CA = 54.2(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1130e-01 1.K28 CB = 33.64(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3299e-01 1.K28 H = 8.4164(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0593e-01 1.K28 N = 115.37(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.3190e-01 1.G29 CA = 46.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0181e-01 1.G29 H = 8.0287(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4298e-01 1.G29 N = 108.88(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3825e-01 1.V30 CA = 60.85(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6636e-01 1.V30 CB = 35.2(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.6762e-01 1.V30 H = 6.0609(S), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7782e-04 1.V30 N = 121.07(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8770e-01 1.D31 CA = 54.79(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.6071e-01 1.D31 CB = 42.58(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9400e-01 1.D31 H = 8.1328(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.5997e-01 1.D31 N = 125.24(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3439e-01 1.V32 CA = 60.88(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.7348e-01 1.V32 CB = 33.23(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.7999e-01 1.V32 H = 8.1546(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3985e-01 1.V32 N = 124.18(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0311e-01 1.V33 CA = 61.07(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.1954e-01 1.V33 CB = 33.2(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.9288e-01 1.V33 H = 9.356(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.1160e-01 1.V33 N = 131.44(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.3285e-02 1.S34 CA = 56.98(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.0058e-01 1.S34 CB = 66.46(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.2289e-02 1.S34 H = 8.2188(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1738e-01 1.S34 N = 122.64(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0791e-02 1.S35 CA = 59.5(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.0631e-01 1.S35 CB = 65.01(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.1360e-01 1.S35 H = 8.4748(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.4127e-01 1.S35 N = 120.48(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3280e-01 1.F36 CA = 55.48(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.1169e-01 1.F36 CB = 42.62(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.0826e-01 1.F36 H = 8.3363(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.7374e-01 1.F36 N = 123.02(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3867e-01 1.A37 CA = 50.9(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5792e-01 1.A37 CB = 20.71(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5291e-01 1.A37 H = 7.9692(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0048e-01 1.A37 N = 122.94(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3471e-01 1.S38 CA = 58.84(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5377e-01 1.S38 CB = 62.73(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.6970e-01 1.S38 H = 8.6069(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7953e-01 1.S38 N = 114.98(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.1189e-01 1.S39 CB = 64.13(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.2356e-01 1.S39 H = 10.4027(S), Expected = 8.28, Std = 0.5900, ChiSquare = 3.2092e-04 1.S39 N = 126.36(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.1881e-03 1.S40 CA = 57.96(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.1351e-01 1.S40 CB = 60.12(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.2901e-02 1.T41 CA = 65.14(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5957e-01 1.T41 CB = 68.88(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.0204e-01 1.T41 H = 7.1709(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4644e-02 1.T41 N = 122.73(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.2382e-01 1.L42 CA = 57.4(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0333e-01 1.L42 CB = 42.89(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5769e-01 1.L42 H = 7.9635(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8181e-01 1.L42 N = 120.31(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9105e-01 1.A43 CA = 55.58(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1783e-01 1.A43 CB = 19.91(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.2286e-01 1.A43 H = 8.0991(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6645e-01 1.A43 N = 122.79(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0108e-01 1.R44 CA = 59.27(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7914e-01 1.R44 CB = 30.02(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.1020e-01 1.R44 H = 7.8872(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6302e-01 1.R44 N = 116.91(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.9048e-01 1.Q45 CA = 59.08(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.4084e-01 1.Q45 CB = 28.53(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1688e-01 1.Q45 H = 8.2002(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7323e-01 1.Q45 N = 122.18(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2470e-01 1.I46 CA = 65.89(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1026e-01 1.I46 CB = 37.99(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5137e-01 1.I46 H = 8.3845(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7787e-01 1.I46 N = 122.77(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5955e-01 1.E47 CA = 59.15(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8125e-01 1.E47 CB = 29.61(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.1610e-01 1.E47 H = 8.4892(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.8729e-01 1.E47 N = 124.62(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5635e-01 1.A48 CA = 52.3(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7139e-01 1.A48 CB = 18.84(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2599e-01 1.A48 H = 7.4255(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9676e-01 1.A48 N = 119.57(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0118e-01 1.G49 CA = 45.15(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8135e-01 1.G49 H = 7.7828(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9987e-01 1.G49 N = 107.25(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3176e-01 1.A50 CA = 50.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9955e-01 1.A50 CB = 19.2(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1731e-01 1.A50 H = 8.21(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8670e-01 1.A50 N = 126.32(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8273e-01 1.P51 CA = 62.83(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.4220e-01 1.P51 CB = 29.61(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.7656e-02 1.A52 CA = 51.66(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5478e-01 1.A52 CB = 18.15(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.3839e-01 1.A52 H = 6.7351(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4626e-02 1.A52 N = 124.71(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.7589e-01 1.D53 CA = 55.11(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3609e-01 1.D53 CB = 44.53(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.4254e-02 1.D53 H = 8.44(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.2265e-01 1.D53 N = 115.28(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6417e-01 1.L54 CA = 53.78(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8767e-01 1.L54 CB = 48.32(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3896e-03 1.L54 H = 7.3912(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9689e-01 1.L54 N = 116.74(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8924e-01 1.F55 CA = 52.43(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.7918e-02 1.F55 CB = 42.99(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.5117e-01 1.F55 H = 8.7962(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.4463e-01 1.F55 N = 123.88(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.1189e-01 1.I56 CA = 60.14(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.8334e-01 1.I56 CB = 40.29(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.1120e-01 1.I56 H = 8.5549(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8602e-01 1.I56 N = 127.17(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.8217e-01 1.S57 CA = 54.16(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7602e-02 1.S57 CB = 65.06(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.9457e-01 1.S57 H = 7.3538(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.1645e-01 1.S57 N = 119.54(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.5438e-01 1.A58 CA = 51.41(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8226e-01 1.A58 CB = 20.05(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6983e-01 1.A58 H = 8.7061(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9895e-01 1.A58 N = 124.92(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3308e-01 1.D59 CA = 52.25(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.2937e-01 1.D59 CB = 43.16(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5931e-01 1.D59 H = 8.2303(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9070e-01 1.D59 N = 112.84(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.3041e-02 1.Q60 CB = 26.81(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.9098e-01 1.Q60 H = 8.5097(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2341e-01 1.Q60 N = 116.77(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8612e-01 1.K61 CA = 59.58(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3191e-01 1.K61 CB = 32.62(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2391e-01 1.K61 H = 7.6741(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8988e-01 1.K61 N = 121.3(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4713e-01 1.W62 CA = 60.43(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.8298e-01 1.W62 CB = 27.99(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.1491e-01 1.W62 H = 9.1329(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.8599e-01 1.W62 N = 120.03(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.9304e-01 1.M63 CA = 56.4(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.9653e-01 1.M63 CB = 31.54(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.1742e-01 1.M63 H = 7.0508(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.3870e-02 1.M63 N = 120.15(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.8659e-01 1.D64 CA = 57.6(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.5172e-01 1.D64 CB = 39.45(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.7739e-01 1.D64 H = 9.0818(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.8329e-01 1.D64 N = 121.88(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.4999e-01 1.Y65 CA = 61.47(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.8329e-01 1.Y65 CB = 39.28(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.8523e-01 1.Y65 H = 8.1247(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8906e-01 1.Y65 N = 121.09(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.9205e-01 1.A66 CA = 55.57(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1972e-01 1.A66 CB = 17.99(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.7727e-01 1.A66 H = 7.6266(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3924e-01 1.A66 N = 122.26(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8408e-01 1.V67 CA = 65.71(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6022e-01 1.V67 CB = 31.81(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0728e-01 1.V67 H = 8.7044(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.3624e-01 1.V67 N = 120.9(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5784e-01 1.D68 CA = 56.99(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.5721e-01 1.D68 CB = 40.93(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.7538e-01 1.D68 H = 8.6812(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2217e-01 1.D68 N = 125.18(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4057e-01 1.K69 CA = 53.45(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1163e-01 1.K69 CB = 29.84(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7458e-02 1.K69 H = 7.3521(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.6256e-01 1.K69 N = 115.69(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.5510e-01 1.K70 CA = 56.95(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0000e+00 1.K70 CB = 28.22(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.0246e-02 1.K70 H = 8.2018(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8431e-01 1.K70 N = 115.27(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2524e-01 1.A71 CA = 51.82(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0499e-01 1.A71 CB = 20.67(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.6435e-01 1.A71 H = 7.7325(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3588e-01 1.A71 N = 117.59(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.1111e-01 1.I72 CA = 56.68(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.5834e-02 1.I72 CB = 40.85(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.7176e-01 1.I72 H = 7.6799(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.7751e-01 1.I72 N = 118.4(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.7464e-01 1.D73 CA = 52.84(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6212e-01 1.D73 CB = 40.4(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6700e-01 1.D73 H = 8.7281(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.7099e-01 1.D73 N = 125.75(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.8642e-01 1.T74 CA = 65.82(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6454e-01 1.T74 CB = 68.2(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.4791e-01 1.T74 H = 8.6962(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.6185e-01 1.T74 N = 124.12(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7014e-02 1.A75 CA = 54.15(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.0998e-01 1.A75 CB = 18.6(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2272e-01 1.A75 H = 8.3937(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4682e-01 1.A75 N = 125.21(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7594e-01 1.T76 CA = 61.11(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.6823e-01 1.T76 CB = 71.12(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.9379e-01 1.T76 H = 7.8512(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3060e-01 1.T76 N = 105.44(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5636e-02 1.R77 CA = 56.4(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.7274e-01 1.R77 CB = 30.75(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.7820e-01 1.R77 H = 7.2804(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.1569e-01 1.R77 N = 126.26(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.3789e-01 1.Q78 CA = 54.8(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0818e-01 1.Q78 CB = 33.07(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.3018e-02 1.Q78 H = 9.0807(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.4462e-01 1.Q78 N = 127.41(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.6718e-02 1.T79 CA = 64.69(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.4025e-01 1.T79 CB = 67.69(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.1074e-01 1.T79 H = 9.1986(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.2207e-01 1.T79 N = 122.49(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3664e-01 1.L80 CA = 56.11(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1806e-01 1.L80 CB = 46.44(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.8034e-02 1.L80 H = 9.2788(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0663e-01 1.L80 N = 131.95(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6765e-03 1.L81 CA = 52.54(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4817e-01 1.L81 CB = 47.05(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1693e-02 1.L81 H = 6.838(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2231e-02 1.L81 N = 113.78(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8285e-02 1.G82 CA = 43.95(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9613e-01 1.G82 H = 8.807(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6304e-01 1.G82 N = 108.91(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4431e-01 1.N83 Typing: Mistyped 1.N83 CA = 50.59(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.1661e-01 1.N83 CB = 45.72(S), Expected = 38.69, Std = 1.6900, ChiSquare = 3.1858e-05 1.N83 H = 7.524(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.9524e-01 1.N83 N = 116.57(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5814e-01 1.S84 CA = 56.09(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.0390e-01 1.S84 CB = 66.63(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.5855e-02 1.S84 H = 8.8954(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.9692e-01 1.S84 N = 114.86(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.8665e-01 1.L85 CA = 54.06(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.6393e-01 1.L85 CB = 47.08(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1173e-02 1.L85 H = 8.4557(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.2842e-01 1.L85 N = 124.22(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4509e-01 1.V86 CA = 59.08(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3314e-01 1.V86 CB = 35.91(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.5645e-02 1.V86 H = 9.3438(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.1576e-01 1.V86 N = 119.02(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.4053e-01 1.V87 CA = 59.7(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2930e-01 1.V87 CB = 33.09(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.4061e-01 1.V87 H = 8.8428(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.0933e-01 1.V87 N = 118.98(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3424e-01 1.V88 CA = 57.36(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.2860e-02 1.V88 CB = 35.95(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.2037e-02 1.V88 H = 9.2418(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.5543e-01 1.V88 N = 118.15(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1016e-01 1.A89 CA = 48.61(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2145e-02 1.A89 CB = 21.87(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.1809e-01 1.A89 H = 8.7743(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3848e-01 1.A89 N = 122.24(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7974e-01 1.P90 CA = 63.17(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.1617e-01 1.P90 CB = 32.22(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.5386e-01 1.K91 CA = 59.96(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7125e-01 1.K91 CB = 32.46(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.5292e-01 1.K91 H = 7.7923(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.0744e-01 1.K91 N = 124.38(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.7708e-01 1.A92 CA = 51.89(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2784e-01 1.A92 CB = 18.75(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A92 H = 8.4486(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7863e-01 1.A92 N = 117.95(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.3582e-01 1.S93 CA = 57.49(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.5238e-01 1.S93 CB = 64.24(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6624e-01 1.S93 H = 7.6899(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.1723e-01 1.S93 N = 113.89(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.9715e-01 1.V94 CA = 61.58(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.5035e-01 1.V94 CB = 31.11(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6545e-01 1.V94 H = 8.448(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1357e-01 1.V94 N = 121.09(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9121e-01 1.Q95 CA = 55.98(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8278e-01 1.Q95 CB = 29.77(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.4997e-01 1.Q95 H = 8.0283(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.4524e-01 1.Q95 HE22 = 8.8201(S), Expected = 7.02, Std = 0.4400, ChiSquare = 4.2926e-05 1.Q95 N = 123.73(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.8612e-01 1.Q95 NE2 = 118.3494(S), Expected = 111.87, Std = 1.7200, ChiSquare = 1.6516e-04 1.K96 CA = 55.18(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2108e-01 1.K96 CB = 34.39(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.6872e-01 1.K96 H = 8.2609(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0594e-01 1.K96 N = 128.98(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.5427e-02 1.D97 CA = 54.73(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.8428e-01 1.D97 CB = 41.14(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.7249e-01 1.D97 H = 8.1114(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.3204e-01 1.D97 N = 119.93(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5203e-01 1.F98 CA = 55.29(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.7765e-01 1.F98 CB = 41.42(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.9384e-01 1.F98 H = 8.5176(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.2674e-01 1.F98 N = 117.74(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.1677e-01 1.T99 CA = 61.28(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.1665e-01 1.T99 CB = 70.48(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.4543e-01 1.T99 H = 8.312(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0755e-01 1.T99 N = 115.08(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.4294e-01 1.I100 CA = 61.14(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.6079e-01 1.I100 CB = 38.66(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8815e-01 1.I100 H = 8.7767(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.6512e-01 1.I100 N = 127.91(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.3181e-01 1.D101 CA = 53.37(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.1553e-01 1.D101 CB = 41.53(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8825e-01 1.D101 H = 9.1144(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.6547e-01 1.D101 N = 128.44(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.3577e-02 1.S102 CA = 60.92(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8787e-01 1.S102 CB = 63.37(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7140e-01 1.S102 H = 8.6788(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9908e-01 1.S102 N = 113.85(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8998e-01 1.K103 CA = 55.29(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.5052e-01 1.K103 CB = 32.73(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7311e-01 1.K103 H = 8.7301(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.6803e-01 1.K103 N = 121.98(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0515e-01 1.T104 CA = 65.55(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.9854e-01 1.T104 CB = 70.15(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.9666e-01 1.T104 H = 7.6438(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.3624e-01 1.T104 N = 121.69(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8683e-01 1.N105 CA = 50.59(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.1661e-01 1.N105 CB = 36.33(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.6258e-01 1.N105 H = 8.8317(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.3511e-01 1.N105 N = 127.68(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.9915e-02 1.W106 CA = 60.59(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.5610e-01 1.W106 CB = 30.41(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.4226e-01 1.W106 H = 7.859(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.8536e-01 1.W106 N = 124.13(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.5779e-01 1.T107 CA = 66.73(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1629e-02 1.T107 CB = 68.23(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.5744e-01 1.T107 H = 8.4673(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1391e-01 1.T107 N = 113.29(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.5385e-01 1.S108 CA = 60.56(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.7406e-01 1.S108 CB = 63.07(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.2184e-01 1.S108 H = 7.4865(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.7865e-01 1.S108 N = 118.37(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.5268e-01 1.L109 CA = 56.95(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.3236e-01 1.L109 CB = 42.21(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5758e-01 1.L109 H = 7.4131(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.0884e-01 1.L109 N = 121.38(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0205e-01 1.L110 CA = 56.21(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8178e-01 1.L110 CB = 42.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1106e-01 1.L110 H = 7.7404(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.5131e-01 1.L110 N = 116.17(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4457e-01 1.N111 CA = 53.77(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0263e-01 1.N111 CB = 38.17(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.5832e-01 1.N111 H = 7.7153(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.2140e-01 1.N111 N = 117.37(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.9868e-01 1.G112 CA = 45.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4051e-01 1.G112 H = 8.9246(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6031e-01 1.G112 N = 106.57(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.2311e-01 1.G113 CA = 43.48(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6286e-01 1.G113 H = 7.9775(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8761e-01 1.G113 N = 109.46(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5673e-01 1.R114 CA = 54.73(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.7717e-01 1.R114 CB = 34.6(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.3077e-02 1.R114 H = 7.9744(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6326e-01 1.R114 N = 117.5(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.6986e-01 1.L115 CA = 52.28(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1686e-01 1.L115 CB = 44.87(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.7329e-01 1.L115 H = 8.0492(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8089e-01 1.L115 N = 119.11(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.8073e-01 1.A116 CA = 52.15(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.1707e-01 1.A116 CB = 21.03(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6967e-01 1.A116 H = 8.7878(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2725e-01 1.A116 N = 132.94(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0892e-03 1.V117 CA = 58.4(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5270e-01 1.V117 CB = 37.19(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2716e-02 1.V117 H = 7.9206(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.8140e-01 1.V117 N = 115.35(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0219e-01 1.G118 CA = 44.93(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5395e-01 1.G118 H = 8.9985(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0373e-01 1.G118 N = 109(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6255e-01 1.D119 CA = 52.8(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.5184e-01 1.D119 CB = 41.8(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.7010e-01 1.D119 H = 8.5572(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.6996e-01 1.D119 N = 123.43(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.7140e-01 1.P120 CA = 64.18(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.7602e-01 1.P120 CB = 32.69(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.7655e-01 1.E121 CA = 56.74(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8139e-01 1.E121 CB = 30.39(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2515e-01 1.E121 H = 8.3552(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6593e-01 1.E121 N = 115.09(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0884e-01 1.H122 CA = 58.23(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.5914e-01 1.H122 CB = 34.12(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.0876e-02 1.H122 H = 7.6255(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.6617e-01 1.H122 N = 111.33(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.6618e-02 1.V123 CA = 60.08(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.9942e-01 1.V123 CB = 33.32(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.4170e-01 1.V123 H = 8.3493(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2947e-01 1.V123 N = 125.57(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.2918e-01 1.P124 CA = 66.44(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.0751e-02 1.A125 CA = 56.56(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.4119e-02 1.A125 CB = 20.33(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7072e-01 1.A125 H = 8.4569(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6853e-01 1.A125 N = 120.14(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8273e-01 1.G126 CA = 47.38(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2979e-01 1.G126 H = 7.6071(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6607e-01 1.G126 N = 104.84(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1201e-01 1.I127 CA = 65.66(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3074e-01 1.I127 CB = 37.53(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.8606e-01 1.I127 H = 8.2063(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1369e-01 1.I127 N = 127.07(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.8994e-01 1.Y128 CA = 60.77(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.9289e-01 1.Y128 CB = 39.88(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.9544e-01 1.Y128 H = 9.0023(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.4997e-01 1.Y128 N = 119.22(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.5692e-01 1.A129 CA = 54.96(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5800e-01 1.A129 CB = 18.69(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6119e-01 1.A129 H = 7.0524(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5791e-02 1.A129 N = 118.59(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.8995e-01 1.K130 CA = 59.42(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6155e-01 1.K130 CB = 32.59(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1054e-01 1.K130 H = 8.6518(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.4150e-01 1.K130 N = 119.7(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2028e-01 1.E131 CA = 59.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6838e-01 1.E131 CB = 29.45(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4474e-01 1.E131 H = 7.7165(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9842e-01 1.E131 N = 118.63(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5774e-01 1.A132 CA = 54.32(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5120e-01 1.A132 CB = 19.54(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7211e-01 1.A132 H = 7.7216(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2526e-01 1.A132 N = 122.41(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1682e-01 1.L133 CA = 57.84(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9729e-01 1.L133 CB = 42.14(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2795e-01 1.L133 H = 8.8623(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3067e-01 1.L133 N = 116.66(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8242e-01 1.Q134 CA = 59.72(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.4103e-01 1.Q134 CB = 28.71(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.9198e-01 1.Q134 H = 8.9879(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9308e-01 1.Q134 N = 121.37(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.8099e-01 1.K135 CA = 59.72(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0800e-01 1.K135 CB = 32.24(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5733e-01 1.K135 H = 8.4014(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2459e-01 1.K135 N = 124.62(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4366e-01 1.L136 CA = 55.55(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7378e-01 1.L136 CB = 43.02(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.0568e-01 1.L136 H = 8.1954(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5755e-01 1.L136 N = 117.45(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5815e-01 1.G137 CA = 46.14(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.5549e-01 1.G137 H = 7.7707(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8953e-01 1.G137 N = 107.44(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6446e-01 1.A138 CA = 51.84(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1146e-01 1.A138 CB = 22.43(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1644e-02 1.A138 H = 8.3275(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.3172e-01 1.A138 N = 121.77(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8002e-01 1.W139 CA = 60.04(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.5628e-01 1.W139 CB = 30.88(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.6513e-01 1.W139 H = 7.4942(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.1377e-01 1.W139 N = 121.07(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.8397e-01 1.D140 CA = 57.51(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6478e-01 1.D140 CB = 39.77(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.9323e-01 1.D140 H = 8.6845(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.1848e-01 1.D140 N = 118.14(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.1552e-01 1.T141 CA = 64.49(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.8079e-01 1.T141 CB = 69.27(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.7778e-01 1.T141 H = 7.5893(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9394e-01 1.T141 N = 113.45(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7833e-01 1.L142 CA = 55.29(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7688e-01 1.L142 CB = 44.08(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.4645e-01 1.L142 H = 7.3748(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8828e-01 1.L142 N = 120.4(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0814e-01 1.S143 CA = 60.98(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7493e-01 1.S143 CB = 63.17(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.7034e-01 1.S143 H = 8.0787(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3296e-01 1.S143 N = 117.22(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.8943e-01 1.P144 CA = 64.2(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.6707e-01 1.P144 CB = 31.87(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8648e-01 1.K145 CA = 54.09(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9360e-01 1.K145 CB = 33.03(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9275e-01 1.K145 H = 8.163(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6411e-01 1.K145 N = 118.76(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4357e-01 1.L146 CA = 54.51(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.0228e-01 1.L146 CB = 43.14(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5886e-01 1.L146 H = 7.1612(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0011e-01 1.L146 N = 117.4(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5279e-01 1.A147 CA = 48.4(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6669e-02 1.A147 CB = 19.23(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0431e-01 1.A147 H = 8.6362(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6723e-01 1.A147 N = 126.55(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4832e-01 1.P148 CA = 61.62(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.6059e-01 1.P148 CB = 33.03(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.1731e-01 1.A149 CA = 49.9(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.0176e-01 1.A149 CB = 23.07(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6515e-02 1.A149 H = 8.5144(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0028e-01 1.A149 N = 124.31(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.6030e-01 1.E150 CA = 58.32(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.3232e-01 1.E150 CB = 30.21(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0743e-01 1.E150 H = 8.9125(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2350e-01 1.E150 N = 118.46(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2539e-01 1.D151 CA = 53.82(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6823e-01 1.D151 CB = 42.27(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.9088e-01 1.D151 H = 7.7362(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2251e-01 1.D151 N = 110.66(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6512e-03 1.V152 CA = 65.93(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2905e-01 1.V152 CB = 31.98(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.7522e-01 1.V152 H = 9.8263(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1849e-02 1.V152 N = 121.61(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1755e-01 1.R153 CA = 55(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.4354e-01 1.R153 CB = 28.49(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.2718e-01 1.R153 H = 7.9141(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9316e-01 1.R153 N = 121.11(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3287e-01 1.G154 CA = 46.69(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.1731e-01 1.G154 H = 8.5836(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9642e-01 1.G154 N = 114.62(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.0087e-01 1.A155 CA = 55.05(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3472e-01 1.A155 CB = 16.61(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8970e-01 1.A155 H = 7.2081(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8297e-02 1.A155 N = 127.16(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6693e-01 1.L156 CA = 57.72(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2417e-01 1.L156 CB = 43.04(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9780e-01 1.L156 H = 7.8943(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0553e-01 1.L156 N = 117.64(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7923e-01 1.A157 CA = 54.52(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8582e-01 1.A157 CB = 18.36(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.2245e-01 1.A157 H = 7.9058(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2390e-01 1.A157 N = 120.36(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1752e-01 1.L158 CA = 58.29(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1002e-01 1.L158 CB = 42.85(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.7393e-01 1.L158 H = 7.1778(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0550e-01 1.L158 N = 116.74(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8924e-01 1.V159 CA = 64.52(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.7783e-01 1.V159 CB = 31.55(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.0976e-01 1.V159 H = 7.121(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1024e-02 1.V159 N = 119.28(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8203e-01 1.E160 CA = 59.86(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2425e-01 1.E160 CB = 30.29(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7068e-01 1.E160 H = 8.69(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4175e-01 1.E160 N = 120.98(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2902e-01 1.R161 CA = 56.37(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.6253e-01 1.R161 CB = 31.02(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6119e-01 1.R161 H = 7.9591(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.4516e-01 1.R161 N = 114.69(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.6849e-02 1.N162 CA = 54.56(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.8744e-01 1.N162 CB = 37.9(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.4017e-01 1.N162 H = 8.5004(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.9903e-01 1.N162 N = 117.78(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.7537e-01 1.E163 CA = 56.94(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5573e-01 1.E163 CB = 30.65(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.0982e-01 1.E163 H = 8.5083(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.6250e-01 1.E163 N = 117.28(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2999e-01 1.A164 CA = 49.24(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8873e-02 1.A164 CB = 22.18(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.3231e-02 1.A164 H = 7.3457(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5449e-01 1.A164 N = 124.03(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2121e-01 1.P165 CA = 63.47(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.2661e-01 1.P165 CB = 32.91(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.6902e-01 1.L166 CA = 52.32(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2131e-01 1.L166 CB = 49.6(S), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0547e-04 1.L166 H = 7.1275(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9857e-02 1.L166 N = 114.44(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7098e-02 1.G167 CA = 45.5(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G167 H = 8.6479(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.2479e-01 1.G167 N = 107.15(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.1494e-01 1.I168 CA = 60.77(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.5395e-01 1.I168 CB = 38.47(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.3687e-01 1.I168 H = 8.5618(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.7857e-01 1.I168 N = 122.28(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4806e-01 1.V169 CA = 57.29(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9037e-02 1.V169 CB = 34.36(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6250e-01 1.V169 H = 8.2952(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9381e-01 1.V169 N = 120.28(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4976e-01 1.Y170 CA = 57.44(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.8339e-01 1.Y170 CB = 39.85(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.0617e-01 1.Y170 H = 9.2815(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.8780e-01 1.Y170 N = 118.25(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.8887e-01 1.G171 CA = 48.22(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2210e-02 1.G171 H = 8.4107(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0119e-01 1.G171 N = 110.7(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9012e-01 1.S172 CA = 61.04(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6238e-01 1.S172 CB = 60.03(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.0856e-02 1.S172 H = 7.8615(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7812e-01 1.S172 N = 115.82(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9603e-01 1.D173 CA = 58.32(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.3748e-02 1.D173 CB = 42.48(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2332e-01 1.D173 H = 7.5108(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.6822e-01 1.D173 N = 125.61(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.9880e-01 1.A174 CA = 53.7(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.7731e-01 1.A174 CB = 18.91(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.5642e-01 1.A174 H = 6.9637(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9351e-02 1.A174 N = 118.26(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6033e-01 1.V175 CA = 65.24(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3628e-01 1.V175 CB = 31.47(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.8149e-01 1.V175 H = 7.2576(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2334e-01 1.V175 N = 118.12(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0592e-01 1.A176 CA = 53.44(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7957e-01 1.A176 H = 7.4355(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0260e-01 1.A176 N = 120.48(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.3726e-01 1.S177 CA = 56.75(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4125e-01 1.S177 H = 7.3394(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.1088e-01 1.S177 N = 112.01(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2510e-01 1.K178 CA = 55.69(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.6683e-01 1.K178 CB = 32.35(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0476e-01 1.K178 H = 8.7813(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2438e-01 1.K178 N = 125.34(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5515e-01 1.G179 CA = 45.47(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2864e-01 1.G179 H = 8.8282(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4340e-01 1.G179 N = 106.49(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1124e-01 1.V180 CA = 58.31(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4387e-01 1.V180 CB = 36.58(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.1489e-02 1.V180 H = 7.4232(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9576e-01 1.V180 N = 113.03(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4044e-02 1.K181 CA = 53.36(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0272e-01 1.K181 CB = 36.28(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.9917e-02 1.K181 H = 9.1924(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4788e-02 1.K181 N = 117.92(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0640e-01 1.V182 CA = 63.55(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1091e-01 1.V182 CB = 32.25(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.8858e-01 1.V182 H = 8.9166(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4967e-01 1.V182 N = 124.31(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8503e-01 1.V183 CA = 60.21(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2533e-01 1.V183 CB = 32.9(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2434e-01 1.V183 H = 8.706(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.3467e-01 1.V183 N = 120.16(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2910e-01 1.A184 CA = 52.55(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6572e-01 1.A184 CB = 22.44(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.0887e-02 1.A184 H = 7.4875(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3503e-01 1.A184 N = 120.76(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8534e-01 1.T185 CA = 61.41(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.5448e-01 1.T185 CB = 70.85(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9201e-01 1.T185 H = 8.3552(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5260e-01 1.T185 N = 114.95(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2118e-01 1.F186 CA = 58.06(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.9379e-01 1.F186 CB = 38.13(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.7349e-01 1.F186 H = 9.0518(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.3664e-01 1.F186 N = 126.23(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6673e-01 1.P187 CA = 62.22(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.6523e-01 1.E188 CA = 58.99(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.2427e-01 1.E188 CB = 29.62(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2062e-01 1.E188 H = 9.3579(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1473e-02 1.E188 N = 127.69(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3670e-02 1.K192 CA = 56.56(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5929e-01 1.K192 CB = 32.28(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.7448e-01 1.K193 CA = 57.38(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4504e-01 1.K193 CB = 32.93(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3731e-01 1.K193 H = 8.844(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.7571e-01 1.K193 N = 126.88(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2200e-01 1.V194 CA = 62.6(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6932e-01 1.V194 CB = 29.52(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.2926e-02 1.V194 H = 8.8877(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7235e-01 1.V194 N = 125.52(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3467e-01 1.E195 Typing: Suspicious 1.E195 CA = 54.29(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4713e-01 1.E195 CB = 36.68(S), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0536e-04 1.E195 H = 7.1727(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9818e-02 1.E195 N = 128.94(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7481e-02 1.P197 CA = 60.75(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9627e-02 1.P197 CB = 33(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.2977e-01 1.V198 CA = 57.11(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9956e-02 1.V198 CB = 35.17(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7284e-01 1.V198 H = 8.8951(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.6645e-01 1.V198 N = 119.01(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3895e-01 1.A199 CA = 51.74(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.7952e-01 1.A199 CB = 25.5(S), Expected = 19.01, Std = 1.8300, ChiSquare = 3.9046e-04 1.A199 H = 8.3744(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7131e-01 1.A199 N = 123.41(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5945e-01 1.V200 CA = 61.68(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7701e-01 1.V200 H = 8.8192(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2962e-01 1.V200 N = 121.5(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3680e-01 1.V201 CA = 63.38(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.5566e-01 1.V201 CB = 32.39(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.4935e-01 1.V201 H = 7.9172(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7793e-01 1.V201 N = 130.33(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2947e-02 1.E202 CA = 58.33(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2892e-01 1.E202 CB = 28.85(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.0005e-01 1.E202 H = 8.3008(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6053e-01 1.E202 N = 129.23(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.3903e-02 1.G203 CA = 45.17(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9314e-01 1.G203 H = 8.863(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1222e-01 1.G203 N = 116.42(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1127e-02 1.H204 CA = 55.12(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.4447e-01 1.H204 CB = 28.35(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.6122e-01 1.H204 H = 8.6428(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.5361e-01 1.H204 N = 119.04(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.7091e-01 1.N205 CA = 52.77(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.8212e-01 1.N205 CB = 37.58(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.1131e-01 1.N205 H = 8.3277(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8442e-01 1.N205 N = 119.56(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.7578e-01 1.N206 CA = 51.71(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.3035e-01 1.N206 CB = 39.93(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.6311e-01 1.N206 H = 7.7039(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.1265e-01 1.N206 N = 120.31(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.3203e-01 1.A207 CA = 55.71(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9429e-01 1.A207 CB = 19.05(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.8256e-01 1.A207 H = 8.7706(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.4160e-01 1.A207 N = 120.43(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2897e-01 1.T208 CA = 66.56(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3802e-02 1.T208 CB = 68.4(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.1453e-01 1.T208 H = 8.2777(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5151e-01 1.T208 N = 118.52(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1399e-01 1.V209 CA = 66.99(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1562e-01 1.V209 CB = 33.23(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.7999e-01 1.V209 H = 8.1743(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6290e-01 1.V209 N = 124.07(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1868e-01 1.K210 CA = 58.81(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.9786e-01 1.K210 CB = 32.54(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.8831e-01 1.K210 H = 8.8822(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4864e-01 1.K210 N = 120.27(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3609e-01 1.A211 CA = 55.04(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3726e-01 1.A211 CB = 18.16(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.4230e-01 1.A211 H = 7.7031(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0758e-01 1.A211 N = 120.15(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8427e-01 1.F212 CA = 60.56(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.3455e-01 1.F212 CB = 40.03(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.8473e-01 1.F212 H = 7.7875(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2653e-01 1.F212 N = 120.66(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.5993e-01 1.Y213 CA = 61.48(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.8199e-01 1.Y213 CB = 38.68(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.6700e-01 1.Y213 H = 8.8181(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.9503e-01 1.Y213 N = 122.32(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.6823e-01 1.D214 CA = 56.93(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6983e-01 1.D214 CB = 39.91(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.4933e-01 1.D214 H = 9.0117(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.2634e-01 1.D214 N = 118.39(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5822e-01 1.Y215 CA = 61.54(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.7428e-01 1.Y215 CB = 39.35(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.8892e-01 1.Y215 H = 7.8509(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.2048e-01 1.Y215 N = 124.85(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.0256e-01 1.L216 CA = 57.06(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9901e-01 1.L216 CB = 41.63(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1757e-01 1.L216 H = 7.8454(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.5406e-01 1.L216 N = 119.1(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7914e-01 1.K217 CA = 55.14(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.1066e-01 1.K217 CB = 32.52(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7944e-01 1.K217 H = 6.8334(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3759e-02 1.K217 N = 113.28(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.9302e-02 1.G218 CA = 44.95(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6532e-01 1.G218 H = 7.6501(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9556e-01 1.G218 N = 109.62(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8969e-01 1.P219 CA = 64.49(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.4537e-01 1.Q220 CA = 59.42(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.8293e-01 1.Q220 CB = 27.44(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.3628e-01 1.Q220 H = 7.7653(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.4090e-01 1.Q220 N = 120.83(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9401e-01 1.A221 CA = 54.51(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8899e-01 1.A221 CB = 18.44(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5544e-01 1.A221 H = 8.2858(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8629e-01 1.A221 N = 123.28(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8873e-01 1.A222 CA = 55.88(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6641e-01 1.A222 CB = 18.6(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2272e-01 1.A222 H = 7.9929(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2997e-01 1.A222 N = 119.59(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0383e-01 1.E223 CA = 59.03(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.1325e-01 1.E223 CB = 29.77(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8903e-01 1.E223 H = 7.383(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0848e-01 1.E223 N = 115.81(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6255e-01 1.I224 CA = 65.58(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3851e-01 1.I224 CB = 37.99(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5137e-01 1.I224 H = 7.2351(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.2439e-01 1.I224 N = 122.02(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9590e-01 1.F225 CA = 61.68(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.6128e-01 1.F225 CB = 38.27(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.1053e-01 1.F225 H = 8.9805(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8879e-01 1.F225 N = 119.15(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.5580e-01 1.K226 CA = 59.71(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0964e-01 1.K226 CB = 32.61(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1945e-01 1.K226 H = 8.5672(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2957e-01 1.K226 N = 118.79(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4886e-01 1.R227 CA = 58.84(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.7020e-01 1.R227 CB = 29.76(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.0749e-01 1.R227 H = 8.0198(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.1811e-01 1.R227 N = 123.25(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.0556e-01 1.Y228 H = 7.7153(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.0747e-01 1.Y228 N = 117.37(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.5325e-01 1.G229 CA = 45.68(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0547e-01 1.G229 H = 7.7387(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6299e-01 1.G229 N = 103.48(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0971e-01 1.F230 CA = 58.49(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.7325e-01 1.F230 CB = 40.92(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.5634e-01 1.F230 H = 7.9172(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.3855e-01 1.F230 N = 118.71(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7721e-01 1.T231 CA = 60.24(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.4458e-01 1.T231 CB = 70.08(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.2998e-01 1.T231 H = 7.8959(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.7889e-01 1.T231 N = 112.97(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0600e-01 1.I232 CA = 59.67(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.6914e-01 1.I232 CB = 37.95(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.3639e-01 1.I232 H = 8.5038(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.4207e-01 1.I232 N = 123.83(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7976e-01 1.K233 CA = 56.94(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.9637e-01 1.K233 CB = 32.55(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9275e-01 1.K233 H = 7.4733(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3228e-01 1.K233 N = 132.58(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.2256e-03