Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.82 M 0.12 C 0.02 L 0.01 C Shift Assignments>> C :: 176.86(D) CA :: 53.33(D) CB :: 19.42(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.I15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 I 0.2 E 0.18 Y 0.13 F 0.07 V 0.03 M 0.02 K 0.01 HN Overlap>> 1.H212 1.H212 C Shift Assignments>> C :: 175.71(D) CA :: 60.03(D) CB :: 36.45(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 :: 7.99(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 :: 115.91(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.08 A 0.07 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.44(D) CA :: 54.65(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 :: 7.78(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 :: 130.91(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.45 P 0.41 C 0.1 I 0.01 C Shift Assignments>> C :: 176.15(D) CA :: 64.82(D) CB :: 32.06(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.D18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.24 D 0.14 G 0.12 C 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 175.08(D) CA :: 53.79(D) CB :: 43.61(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 :: 7.01(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 :: 113.21(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 C 0.22 M 0.12 E 0.11 Y 0.05 F 0.03 K 0.02 Q 0.01 D 0.01 C Shift Assignments>> C :: 175.19(D) CA :: 53.07(D) CB :: 36.39 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 :: 8.76(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 :: 119.53(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.15 C 0.14 R 0.13 H 0.12 W 0.08 E 0.06 Q 0.06 C Shift Assignments>> C :: 175.74(D) CA :: 55.47(D) CB :: 32.15(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 :: 9.08(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 :: 121.07(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.I21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.34 C 0.18 R 0.13 F 0.13 I 0.08 Y 0.08 L 0.01 K 0.01 HN Overlap>> 1.K91 1.K91 C Shift Assignments>> C :: 174.75(D) CA :: 61.84(D) CB :: 43.62(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 :: 8.22(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 :: 119.52(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.2 M 0.2 N 0.08 K 0.07 Q 0.07 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 176.33(D) CA :: 54.61(D) CB :: 35.66(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 :: 9.14(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 :: 126.93(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.14 C 0.13 C Shift Assignments>> C :: 174.27(D) CA :: 55.27(D) CB :: 47.13 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 :: 8.82(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 :: 127.62(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 Q 0.18 C 0.18 M 0.18 R 0.06 H 0.06 W 0.04 V 0.03 E 0.02 C Shift Assignments>> C :: 173.72(D) CA :: 57.00(D) CB :: 33.39 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 :: 8.22(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 :: 127.24(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.M25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.53 C 0.13 D 0.08 Y 0.08 F 0.06 E 0.03 M 0.02 L 0.02 HN Overlap>> 1.R181 1.R181 C Shift Assignments>> C :: 174.09(D) CA :: 53.37(D) CB :: 37.82(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 :: 9.84(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 :: 128.38(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.15 C 0.15 R 0.13 H 0.12 W 0.07 Q 0.07 E 0.05 C Shift Assignments>> C :: 175.07(D) CA :: 54.72(D) CB :: 32.21(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 :: 8.19(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 :: 126.53(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 171.51(D) CA :: 45.40(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.00(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.46(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.25 K 0.11 N 0.09 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 175.31(D) CA :: 53.39(D) CB :: 41.65(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 :: 7.86(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 :: 115.71(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.22 I 0.08 E 0.07 K 0.05 Q 0.04 M 0.04 Y 0.03 F 0.01 W 0.01 C Shift Assignments>> C :: 175.28(D) CA :: 60.82(D) CB :: 34.85(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 :: 8.49(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 :: 124.13(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 C 0.18 E 0.11 Y 0.1 F 0.07 M 0.06 D 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 174.90(D) CA :: 54.21(D) CB :: 37.30(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.03(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 :: 129.13(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.79(D) CA :: 46.04(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.34(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.41(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.16 C 0.15 R 0.13 H 0.11 W 0.09 E 0.08 Q 0.05 V 0.02 C Shift Assignments>> C :: 174.91(D) CA :: 56.71(D) CB :: 32.07(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 :: 8.17(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 :: 123.12(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 K 0.15 C 0.15 R 0.13 H 0.12 W 0.1 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 175.24(D) CA :: 56.65(D) CB :: 31.93(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 :: 8.31(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 :: 128.42(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.22 D 0.14 F 0.12 R 0.09 Y 0.09 C 0.05 N 0.01 C Shift Assignments>> C :: 173.03(D) CA :: 56.35(D) CB :: 41.95(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 :: 7.79(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 :: 117.76(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 C 0.29 Y 0.11 F 0.06 E 0.06 V 0.05 C Shift Assignments>> C :: 175.95(D) CA :: 61.62(D) CB :: 36.68(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 :: 8.28(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 :: 118.53(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 G 0.19 C 0.16 F 0.15 Y 0.09 I 0.05 L 0.05 K 0.03 HN Overlap>> 1.T165 1.T165 C Shift Assignments>> C :: 173.32(D) CA :: 60.72(D) CB :: 43.53(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 :: 9.38(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 :: 127.36(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 L 0.19 R 0.04 D 0.03 C 0.03 F 0.01 C Shift Assignments>> C :: 175.78(D) CA :: 53.15(D) CB :: 44.83 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 :: 8.60(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 :: 127.30(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 172.35(D) CA :: 45.21(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.33(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.85(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.17 C 0.03 R 0.02 D 0.02 C Shift Assignments>> C :: 175.55(D) CA :: 53.73(D) CB :: 45.16(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 :: 8.62(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 :: 124.47(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.11(D) CA :: 46.00(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.69(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.11(D) Ave N Shift Values>> N :: 109.67(3.87) 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 :: 172.63(D) CA :: 60.17(D) CB :: 72.55(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 :: 8.83(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 :: 113.00(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 171.96(D) CA :: 46.55(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.89(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.31(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 176.24(D) CA :: 52.80(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 :: 9.11(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 :: 121.46(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.73 P 0.13 C 0.11 I 0.01 C Shift Assignments>> C :: 176.74(D) CA :: 66.10(D) CB :: 33.40 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.Y45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 E 0.19 I 0.18 Y 0.16 F 0.09 M 0.02 V 0.01 K 0.01 C Shift Assignments>> C :: 177.45(D) CA :: 59.60(D) CB :: 36.71(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 :: 8.47(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 :: 109.58(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 M 0.14 C 0.12 W 0.11 K 0.1 E 0.1 Q 0.08 C Shift Assignments>> C :: 176.56(D) CA :: 55.59(D) CB :: 31.24 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 :: 7.25(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 :: 114.77(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.95(D) CA :: 46.67(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.65(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.19(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.3 Y 0.16 C 0.15 F 0.14 D 0.11 L 0.04 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.71(D) CA :: 54.95(D) CB :: 38.35(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 :: 7.02(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 :: 115.18(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.14 W 0.12 R 0.11 E 0.11 C 0.11 M 0.04 L 0.01 HN Overlap>> 1.L68 1.L68 C Shift Assignments>> C :: 172.50(D) CA :: 55.53(D) CB :: 29.26(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 :: 8.00(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 :: 116.53(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.87(D) CA :: 60.81(D) CB :: 71.93 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 :: 8.73(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 :: 113.85(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.2 D 0.19 C 0.11 L 0.11 N 0.11 I 0.02 HN Overlap>> 1.T186 1.T186 C Shift Assignments>> C :: 172.64(D) CA :: 55.94(D) CB :: 39.70(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 :: 9.42(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 :: 125.17(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.21 R 0.16 K 0.13 F 0.06 C 0.04 Y 0.03 N 0.02 G 0.01 HN Overlap>> 1.V129 1.V129 C Shift Assignments>> C :: 175.26(D) CA :: 54.39(D) CB :: 42.51(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 :: 8.89(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.L53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.3 R 0.14 D 0.08 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 53.38(D) CB :: 44.27(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 :: 9.73(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 :: 126.27(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.22 C 0.17 K 0.16 H 0.05 R 0.05 W 0.03 E 0.01 C Shift Assignments>> C :: 175.32(D) CA :: 54.64(D) CB :: 33.74(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 :: 9.08(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 :: 122.07(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.45 V 0.35 C 0.12 I 0.03 W 0.02 C Shift Assignments>> C :: 175.88(D) CA :: 64.02(D) CB :: 31.32(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 :: 9.09(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 :: 127.28(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 Q 0.18 K 0.18 C 0.16 R 0.07 H 0.07 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 177.10(D) CA :: 55.51(D) CB :: 33.22(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 :: 8.96(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 :: 130.23(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.22 M 0.22 K 0.18 C 0.17 R 0.05 H 0.05 W 0.03 E 0.01 V 0.01 HN Overlap>> 1.D108 1.D108 C Shift Assignments>> C :: 176.24(D) CA :: 55.81(D) CB :: 33.73(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 :: 8.03(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 :: 117.22(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 175.00(D) CA :: 45.35(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.90(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.97(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.45(D) CA :: 43.69(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.61(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.08(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.33 V 0.31 K 0.07 Q 0.06 M 0.04 W 0.03 I 0.03 P 0.02 E 0.02 R 0.02 H 0.01 Y 0.01 C Shift Assignments>> C :: 177.04(D) CA :: 60.86(D) CB :: 33.95(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.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 177.34(D) CA :: 53.06(D) CB :: 40.00(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 :: 9.60(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 :: 126.34(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.25 V 0.24 C 0.21 I 0.14 W 0.07 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 172.63(D) CA :: 62.83(D) CB :: 30.38(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.F63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.29 D 0.27 R 0.11 K 0.11 F 0.05 N 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 173.57(D) CA :: 53.39(D) CB :: 42.38(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 :: 5.80(S) 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 :: 110.98(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 L 0.09 C 0.05 M 0.02 C Shift Assignments>> C :: 175.83(D) CA :: 52.68(D) CB :: 20.85(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.96(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.61(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 F 0.22 Y 0.21 C 0.15 C Shift Assignments>> C :: 177.25(D) CA :: 61.28(D) CB :: 39.99(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 :: 7.60(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 :: 128.94(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.17 L 0.15 Y 0.12 R 0.11 C 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 178.98(D) CA :: 57.91(D) CB :: 42.04(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 :: 7.94(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 :: 111.00(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 C 0.14 V 0.03 Y 0.01 C Shift Assignments>> C :: 177.17(D) CA :: 66.91(D) CB :: 37.85 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 :: 7.19(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 :: 109.52(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 G 0.28 R 0.19 D 0.06 C 0.05 F 0.03 Y 0.01 HN Overlap>> 1.Y216 1.Q49 1.Y216 1.Q49 C Shift Assignments>> C :: 181.16(D) CA :: 54.87(D) CB :: 44.33 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 :: 7.92(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 :: 116.61(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.4 T 0.23 I 0.15 S 0.11 P 0.05 C 0.03 C Shift Assignments>> C :: 177.40(D) CA :: 66.93(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 :: 7.42(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 :: 105.94(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.39(D) CA :: 63.16(D) CB :: 68.35(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 :: 7.71(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 :: 109.03(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 175.02(D) CA :: 52.84(D) CB :: 18.64 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.77(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.88(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 175.79(D) CA :: 58.35(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 :: 6.18(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 :: 112.14(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.72 A 0.13 N 0.06 D 0.01 C 0.01 G 0.01 C Shift Assignments>> C :: 174.54(D) CA :: 49.11(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.N76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.36 D 0.23 F 0.1 Y 0.1 C 0.09 L 0.08 C Shift Assignments>> C :: 174.57(D) CA :: 53.97(D) CB :: 39.30 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.67(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 :: 116.53(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> A 0.33 N 0.24 D 0.11 L 0.05 M 0.04 C 0.03 H 0.03 P 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 C Shift Assignments>> C :: 173.81(D) CA :: 52.19(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 :: 7.28(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 :: 133.13(S) 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.V78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 P 0.41 C 0.11 W 0.01 C Shift Assignments>> C :: 175.20(D) CA :: 64.10(D) CB :: 32.36 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 :: 6.98(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 :: 116.73(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 C 0.24 Y 0.18 F 0.11 I 0.06 M 0.05 N 0.02 K 0.02 C Shift Assignments>> C :: 174.72(D) CA :: 57.36(D) CB :: 36.99(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 :: 7.06(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 :: 117.19(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 C 0.25 Y 0.16 F 0.1 E 0.06 V 0.01 C Shift Assignments>> C :: 173.18(D) CA :: 61.00(D) CB :: 37.27(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 :: 7.72(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.03(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.18 C 0.16 Q 0.14 R 0.09 H 0.08 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 174.31(D) CA :: 56.10(D) CB :: 32.87 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 :: 7.83(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 :: 125.19(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> F 0.22 Y 0.19 D 0.18 L 0.15 C 0.1 N 0.05 K 0.05 I 0.02 C Shift Assignments>> C :: 175.46(D) CA :: 56.41(D) CB :: 40.38 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 :: 9.09(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 :: 134.99(S) Ave N Shift Values>> N :: 120.52(4.2) 1.P83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.22 I 0.22 V 0.21 P 0.09 C 0.06 S 0.05 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 176.64(D) CA :: 61.94(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.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.2 D 0.19 L 0.17 Y 0.17 C 0.09 K 0.08 N 0.04 I 0.02 C Shift Assignments>> C :: 176.59(D) CA :: 56.29(D) CB :: 40.66(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 :: 8.52(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 :: 117.16(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 C 0.15 Y 0.05 D 0.05 E 0.04 F 0.04 M 0.04 L 0.01 C Shift Assignments>> C :: 174.48(D) CA :: 52.76(D) CB :: 37.36(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 :: 7.93(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 :: 112.44(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 I 0.19 Y 0.18 C 0.15 K 0.13 R 0.04 L 0.02 C Shift Assignments>> C :: 173.82(D) CA :: 60.93(D) CB :: 41.81(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 :: 7.36(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 :: 120.75(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.14 C 0.12 R 0.11 H 0.11 W 0.11 E 0.1 L 0.06 I 0.02 M 0.02 C Shift Assignments>> C :: 173.40(D) CA :: 56.48(D) CB :: 28.31(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 :: 8.07(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 :: 126.98(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.54 D 0.25 C 0.07 L 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.74(D) CA :: 51.09(D) CB :: 39.75(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 :: 7.87(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 :: 126.07(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 I 0.14 K 0.13 C 0.13 L 0.05 R 0.01 D 0.01 C Shift Assignments>> C :: 174.72(D) CA :: 59.90(D) CB :: 41.32(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 :: 8.44(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 :: 124.72(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.31 Y 0.24 C 0.2 F 0.19 E 0.02 C Shift Assignments>> C :: 179.14(D) CA :: 60.15(D) CB :: 38.26(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 :: 6.67(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 :: 111.55(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 C 0.24 P 0.13 W 0.1 R 0.05 K 0.04 E 0.04 H 0.03 I 0.02 M 0.02 Q 0.01 HN Overlap>> 1.I21 1.I21 C Shift Assignments>> C :: 178.75(D) CA :: 61.23(D) CB :: 31.59(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 :: 8.14(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 :: 119.54(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.15 W 0.13 E 0.12 C 0.12 H 0.12 R 0.09 I 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 176.29(D) CA :: 57.23(D) CB :: 28.86(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 :: 6.93(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 :: 113.76(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 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 :: 172.71(D) CA :: 60.92(D) CB :: 63.30(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.11(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 :: 114.01(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 I 0.18 C 0.17 L 0.02 D 0.01 E 0.01 C Shift Assignments>> C :: 173.43(D) CA :: 58.90(D) CB :: 39.05(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 :: 7.04(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 :: 120.12(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P95 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.63 C 0.21 V 0.08 Y 0.03 F 0.02 C Shift Assignments>> C :: 176.75(D) CA :: 64.57(D) CB :: 36.88(S) 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.K96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 C 0.26 P 0.1 W 0.07 K 0.06 R 0.04 H 0.03 M 0.03 E 0.02 Q 0.01 HN Overlap>> 1.A171 1.A171 C Shift Assignments>> C :: 178.25(D) CA :: 61.05(D) CB :: 32.39(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 :: 9.49(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 :: 123.22(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.99(D) CA :: 44.09(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.44(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.64(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.23 F 0.19 Y 0.16 L 0.16 C 0.09 N 0.09 K 0.03 I 0.01 C Shift Assignments>> C :: 170.35(D) CA :: 55.78(D) CB :: 40.27(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 :: 7.91(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 :: 113.07(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.52 S 0.47 C Shift Assignments>> C :: 173.18(D) CA :: 56.48(D) CB :: 67.41(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.67(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 :: 113.16(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.23 Q 0.14 E 0.13 K 0.1 N 0.05 Y 0.02 H 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 175.09(D) CA :: 54.37(D) CB :: 35.14(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 :: 8.65(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 :: 116.53(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 Q 0.2 K 0.18 C 0.16 R 0.06 H 0.06 W 0.04 E 0.02 V 0.01 HN Overlap>> 1.R115 1.R115 C Shift Assignments>> C :: 174.51(D) CA :: 55.74(D) CB :: 33.42(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 :: 8.52(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 :: 119.69(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R102 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.15 C 0.11 Y 0.11 F 0.1 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 174.51(D) CA :: 54.04(D) CB :: 38.54(S) 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 :: 9.83(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 :: 126.21(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.S103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.16(D) CA :: 56.49(D) CB :: 65.36(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.90(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 :: 120.44(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.24 K 0.13 D 0.13 F 0.07 C 0.04 Y 0.04 G 0.01 C Shift Assignments>> C :: 175.01(D) CA :: 55.61(D) CB :: 42.80(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 :: 8.64(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 :: 124.91(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.48(D) CA :: 61.47(D) CB :: 69.70(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 :: 8.46(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 :: 119.02(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 K 0.15 C 0.11 L 0.09 I 0.07 D 0.04 R 0.01 C Shift Assignments>> C :: 179.66(D) CA :: 58.60(D) CB :: 41.11(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 :: 9.19(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 :: 127.11(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.13 R 0.12 H 0.11 Q 0.08 K 0.05 M 0.04 V 0.04 I 0.03 C Shift Assignments>> C :: 175.37(D) CA :: 59.02(D) CB :: 30.53(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 :: 8.10(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 :: 117.83(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.22 L 0.18 F 0.05 C 0.05 K 0.04 Y 0.03 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> C :: 176.61(D) CA :: 52.41(D) CB :: 41.03(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 :: 8.08(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 :: 117.19(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.73(D) CA :: 45.16(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.82(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.89(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 172.39(D) CA :: 45.94(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.94(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.25(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 K 0.2 Y 0.15 R 0.13 C 0.11 L 0.08 I 0.06 D 0.01 C Shift Assignments>> C :: 176.13(D) CA :: 59.45(D) CB :: 42.27(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 :: 8.27(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 :: 122.96(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.16 C 0.15 R 0.11 H 0.11 Q 0.09 W 0.07 E 0.04 HN Overlap>> 1.V203 1.V203 C Shift Assignments>> C :: 173.15(D) CA :: 55.00(D) CB :: 32.45(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.18(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.78(D) Ave N Shift Values>> N :: 120.17(4.64) 1.N113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.25 R 0.16 K 0.07 G 0.04 C 0.04 F 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 172.71(D) CA :: 52.76(D) CB :: 42.81(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.39(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 :: 121.15(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.4 L 0.33 C 0.2 G 0.02 K 0.02 P 0.01 C Shift Assignments>> C :: 174.44(D) CA :: 49.66(D) CB :: 23.00(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.97(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.17(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.22 C 0.17 K 0.16 H 0.05 R 0.05 W 0.02 E 0.02 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 172.74(D) CA :: 54.64(D) CB :: 33.76(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 :: 8.51(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 :: 119.70(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.N116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.48 D 0.29 L 0.08 C 0.07 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.73(D) CA :: 50.72(D) CB :: 40.17(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 :: 7.25(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 :: 117.90(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.23 G 0.18 D 0.1 C 0.04 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.12(D) CA :: 54.36(D) CB :: 43.95(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 :: 7.96(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 :: 127.23(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 Y 0.18 F 0.17 C 0.15 C Shift Assignments>> C :: 176.25(D) CA :: 61.65(D) CB :: 39.23(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 :: 8.22(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.10(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.77(D) CA :: 59.91(D) CB :: 72.54(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 :: 9.08(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 :: 118.33(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 Y 0.19 F 0.16 C 0.15 D 0.12 L 0.04 E 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 174.85(D) CA :: 55.34(D) CB :: 38.53(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 :: 9.22(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 :: 120.77(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 K 0.18 C 0.16 R 0.11 H 0.1 Q 0.1 W 0.07 E 0.05 V 0.01 HN Overlap>> 1.L174 1.L174 C Shift Assignments>> C :: 176.83(D) CA :: 56.42(D) CB :: 32.53(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 :: 8.80(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 :: 125.08(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.61 P 0.12 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 173.86(D) CA :: 47.85(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.D123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 N 0.21 L 0.18 F 0.07 C 0.05 Y 0.05 K 0.04 C Shift Assignments>> C :: 174.61(D) CA :: 53.19(D) CB :: 40.84(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 :: 8.38(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 :: 126.39(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.46(D) CA :: 61.74(D) CB :: 71.99(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 :: 7.85(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 :: 114.77(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 F 0.2 L 0.16 Y 0.15 D 0.1 C 0.08 R 0.03 I 0.03 C Shift Assignments>> C :: 174.30(D) CA :: 57.43(D) CB :: 41.41 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 :: 8.71(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 :: 122.27(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.3 C 0.15 I 0.14 L 0.04 D 0.03 HN Overlap>> 1.I207 1.I207 C Shift Assignments>> C :: 175.03(D) CA :: 58.54(D) CB :: 39.64 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 :: 9.22(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 :: 123.23(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.28 K 0.12 R 0.09 N 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 174.29(D) CA :: 53.24(D) CB :: 42.19(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 :: 8.14(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 :: 118.17(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 Q 0.21 K 0.18 C 0.17 R 0.06 H 0.06 W 0.03 E 0.02 V 0.01 HN Overlap>> 1.R160 1.R160 C Shift Assignments>> C :: 174.05(D) CA :: 55.94(D) CB :: 33.53(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 :: 8.31(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.47(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 V 0.25 K 0.08 Q 0.07 M 0.05 E 0.04 I 0.03 W 0.02 R 0.01 Y 0.01 H 0.01 P 0.01 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 176.15(D) CA :: 60.51(D) CB :: 34.23(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 :: 8.81(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 :: 125.74(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.18 C 0.17 K 0.16 H 0.07 R 0.07 W 0.04 E 0.01 C Shift Assignments>> C :: 174.99(D) CA :: 54.09(D) CB :: 33.27(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 :: 8.83(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 :: 128.30(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.F131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.47 L 0.2 R 0.12 C 0.08 F 0.05 Y 0.02 D 0.01 C Shift Assignments>> C :: 172.49(D) CA :: 57.48(D) CB :: 44.77(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 :: 8.11(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.76(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.22 D 0.16 F 0.12 Y 0.08 R 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 174.58(D) CA :: 56.00(D) CB :: 41.85(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 :: 8.77(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 :: 130.47(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.27(D) CA :: 46.52(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.14(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.69(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.V203 1.V203 C Shift Assignments>> C :: 171.18(D) CA :: 60.68(D) CB :: 70.26(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 :: 9.13(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 :: 118.64(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 C 0.18 Y 0.1 E 0.09 F 0.07 M 0.05 D 0.05 L 0.01 C Shift Assignments>> C :: 175.07(D) CA :: 54.09(D) CB :: 37.35(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 :: 8.33(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 :: 115.29(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 C Shift Assignments>> C :: 175.26(D) CA :: 58.48(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 :: 8.34(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 :: 117.70(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.54 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 177.59(D) CA :: 55.51(D) CB :: 18.34(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.N139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.66 C 0.11 D 0.07 Y 0.04 F 0.03 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 175.58(D) CA :: 52.04(D) CB :: 37.88(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 :: 8.15(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 :: 110.68(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 171.22(D) CA :: 45.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.34(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.16(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.48 P 0.36 C 0.12 C Shift Assignments>> C :: 177.49(D) CA :: 64.24(D) CB :: 32.75(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.V142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.51 P 0.32 C 0.1 I 0.04 C Shift Assignments>> C :: 178.54(D) CA :: 65.84(D) CB :: 31.30(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 :: 6.63(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 :: 116.88(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 W 0.11 R 0.1 E 0.09 L 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 178.01(D) CA :: 55.25(D) CB :: 28.50(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 :: 8.87(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 :: 119.58(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.12 W 0.11 R 0.09 E 0.09 L 0.06 M 0.03 C Shift Assignments>> C :: 174.63(D) CA :: 54.89(D) CB :: 28.56(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 :: 7.58(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 :: 111.70(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 Q 0.15 E 0.14 H 0.11 R 0.09 I 0.08 L 0.02 M 0.02 K 0.01 C Shift Assignments>> C :: 176.29(D) CA :: 58.30(D) CB :: 28.62(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 :: 7.25(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 :: 115.57(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.19 C 0.17 K 0.16 H 0.07 R 0.07 W 0.03 E 0.01 C Shift Assignments>> C :: 176.08(D) CA :: 54.23(D) CB :: 33.35(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 :: 8.35(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 :: 115.97(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.38(D) CA :: 61.78(D) CB :: 68.43(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 :: 7.76(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 :: 110.07(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.27 G 0.18 C 0.06 F 0.05 D 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 177.65(D) CA :: 56.28(D) CB :: 44.12(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 :: 9.26(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 :: 119.70(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 K 0.17 C 0.15 R 0.11 H 0.1 Q 0.09 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 174.91(D) CA :: 56.22(D) CB :: 32.48(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 :: 7.06(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 :: 111.84(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.13 Q 0.12 K 0.08 M 0.05 I 0.01 V 0.01 C Shift Assignments>> C :: 177.50(D) CA :: 57.32(D) CB :: 30.15(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 :: 8.76(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 :: 121.14(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.12 W 0.11 R 0.09 E 0.09 L 0.05 M 0.03 C Shift Assignments>> C :: 176.38(D) CA :: 54.96(D) CB :: 28.64(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 :: 8.90(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 :: 121.90(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 P 0.19 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 176.69(D) CA :: 64.27(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.S153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 174.80(D) CA :: 57.59(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.82(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 :: 114.31(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.53(D) CA :: 62.52(D) CB :: 71.70(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 :: 8.39(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 :: 115.78(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.15 K 0.14 R 0.13 H 0.13 W 0.08 Q 0.06 E 0.05 C Shift Assignments>> C :: 174.56(D) CA :: 54.54(D) CB :: 32.11(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 :: 10.11(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 :: 130.55(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.19 C 0.17 Q 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.02 HN Overlap>> 1.A225 1.A225 C Shift Assignments>> C :: 174.52(D) CA :: 56.44(D) CB :: 33.13(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 :: 9.18(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 :: 130.46(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.19 H 0.13 R 0.12 K 0.11 W 0.07 Q 0.05 P 0.03 E 0.03 C Shift Assignments>> C :: 176.04(D) CA :: 52.78(D) CB :: 32.13(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 :: 8.27(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 :: 124.55(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Y158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.2 C 0.18 N 0.13 D 0.08 E 0.04 I 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 171.86(D) CA :: 56.19(D) CB :: 38.40(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 :: 9.55(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 :: 121.32(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 P 0.3 C 0.19 W 0.04 K 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 175.17(D) CA :: 62.33(D) CB :: 32.27(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 :: 8.79(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 :: 120.48(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 HN Overlap>> 1.K128 1.K128 C Shift Assignments>> C :: 176.02(D) CA :: 55.56(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 :: 8.33(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 :: 129.48(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.D161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.26 N 0.21 F 0.14 Y 0.13 L 0.12 C 0.09 I 0.01 C Shift Assignments>> C :: 175.56(D) CA :: 54.77(D) CB :: 39.78(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.G162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.12(D) CA :: 45.62(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.09(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.45(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.17 I 0.11 E 0.1 K 0.05 Y 0.05 M 0.04 Q 0.03 F 0.02 W 0.01 C Shift Assignments>> C :: 176.07(D) CA :: 60.65(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 :: 7.62(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 :: 119.40(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.19 L 0.18 D 0.16 Y 0.15 K 0.15 C 0.08 N 0.02 I 0.02 R 0.01 C Shift Assignments>> C :: 173.18(D) CA :: 56.64(D) CB :: 41.04(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 :: 8.96(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 :: 132.02(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> C :: 171.21(D) CA :: 61.59(D) CB :: 71.96(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 :: 9.38(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 :: 127.37(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 175.44(D) CA :: 45.22(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.51(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.86(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.3 R 0.14 D 0.09 C 0.04 F 0.02 Y 0.01 HN Overlap>> 1.D204 1.D204 C Shift Assignments>> C :: 176.50(D) CA :: 53.11(D) CB :: 44.15(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 :: 9.32 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 :: 131.16 Ave N Shift Values>> N :: 120.65(3.86) 1.I168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 I 0.23 Y 0.17 C 0.16 K 0.1 R 0.04 L 0.01 G 0.01 C Shift Assignments>> C :: 175.38(D) CA :: 61.54(D) CB :: 41.98(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 :: 8.83(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 :: 118.61(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.16 H 0.13 W 0.12 C 0.12 E 0.11 R 0.09 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 175.30(D) CA :: 56.48(D) CB :: 28.73(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 :: 9.09(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 :: 130.10(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 C 0.19 E 0.1 M 0.07 Y 0.06 F 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 176.46(D) CA :: 53.34(D) CB :: 36.89(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 :: 8.36(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 :: 123.09(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 L 0.32 C 0.09 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> C :: 175.09(D) CA :: 52.54(D) CB :: 21.91(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.48(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.24(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.24 D 0.16 G 0.07 C 0.04 K 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 176.42(D) CA :: 53.87(D) CB :: 43.33(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 :: 9.33(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 :: 125.49(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.28 D 0.13 K 0.06 F 0.05 G 0.04 C 0.04 Y 0.03 C Shift Assignments>> C :: 175.13(D) CA :: 54.90(D) CB :: 43.27(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 :: 9.04(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 :: 125.97(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.14 R 0.03 D 0.03 C 0.02 HN Overlap>> 1.E121 1.E121 C Shift Assignments>> C :: 177.16(D) CA :: 52.34(D) CB :: 44.79(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 :: 8.74(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 :: 125.07(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.15 E 0.15 R 0.12 H 0.12 Q 0.1 K 0.07 M 0.04 I 0.02 V 0.02 C Shift Assignments>> C :: 177.15(D) CA :: 58.34(D) CB :: 30.19(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 :: 8.02(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 :: 119.23(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.96(D) CA :: 45.78(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.02(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.23(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 C 0.22 E 0.2 M 0.1 Y 0.1 F 0.06 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 173.32(D) CA :: 54.69(D) CB :: 36.76(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 :: 8.67(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 :: 114.64(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 L 0.07 C 0.04 C Shift Assignments>> C :: 175.24(D) CA :: 51.13(D) CB :: 21.18(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.74(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.12(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 C 0.2 M 0.19 K 0.17 E 0.06 R 0.03 H 0.03 W 0.02 V 0.02 Y 0.01 C Shift Assignments>> C :: 174.57(D) CA :: 56.72(D) CB :: 34.20(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 :: 8.55(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 :: 115.49(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.24 K 0.16 F 0.1 Y 0.08 C 0.05 N 0.05 R 0.03 C Shift Assignments>> C :: 174.52(D) CA :: 55.01(D) CB :: 41.43(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 :: 9.10(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 :: 126.08(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 K 0.15 M 0.14 R 0.13 H 0.11 W 0.1 E 0.09 Q 0.05 V 0.03 HN Overlap>> 1.M25 1.M25 C Shift Assignments>> C :: 175.10(D) CA :: 57.43(D) CB :: 31.93(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 :: 9.77(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 :: 128.35(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.C182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 C 0.15 K 0.15 R 0.13 H 0.12 W 0.1 E 0.08 Q 0.05 V 0.02 C Shift Assignments>> C :: 172.57(D) CA :: 56.83(D) CB :: 31.93(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.11(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.67(D) Ave N Shift Values>> N :: 120.17(4.64) 1.D183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.2 R 0.18 K 0.11 F 0.05 C 0.04 Y 0.03 N 0.02 G 0.01 C Shift Assignments>> C :: 175.96(D) CA :: 54.17(D) CB :: 42.70(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 :: 8.52(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 :: 127.84(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.21 K 0.17 R 0.11 F 0.07 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 176.17(D) CA :: 54.81(D) CB :: 42.17(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 :: 9.38(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 :: 126.97(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 C 0.16 M 0.16 R 0.11 H 0.1 Q 0.09 W 0.08 E 0.06 V 0.02 C Shift Assignments>> C :: 175.27(D) CA :: 56.97(D) CB :: 32.47(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 :: 7.97(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 :: 120.91(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.T186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.M51 1.M51 C Shift Assignments>> C :: 173.05(D) CA :: 60.48(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 :: 9.42(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 :: 125.14(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.53(D) CA :: 60.21(D) CB :: 70.44(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 :: 9.31(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 :: 117.30(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.2 R 0.14 F 0.13 Y 0.09 D 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 174.87(D) CA :: 57.07(D) CB :: 42.23(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 :: 8.89(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 :: 122.84(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.31 C 0.24 M 0.12 Y 0.09 F 0.05 K 0.05 N 0.03 Q 0.03 I 0.02 C Shift Assignments>> C :: 176.07(D) CA :: 56.45(D) CB :: 36.20(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 :: 9.27(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 :: 120.31(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.7 M 0.27 C 0.01 C Shift Assignments>> C :: 177.46(D) CA :: 53.03(D) CB :: 17.96(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.67(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.69(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 K 0.17 M 0.12 Q 0.11 V 0.08 R 0.08 W 0.07 H 0.06 E 0.04 C Shift Assignments>> C :: 177.71(D) CA :: 58.49(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 :: 8.28(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 :: 121.65(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 C 0.12 W 0.12 Q 0.12 E 0.11 M 0.1 K 0.07 C Shift Assignments>> C :: 175.91(D) CA :: 55.29(D) CB :: 30.62(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 :: 8.65(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 :: 120.30(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K193 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.52(D) CA :: 45.66(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.V195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.4 V 0.31 C 0.15 I 0.06 W 0.03 C Shift Assignments>> C :: 176.55(D) CA :: 63.61(D) CB :: 30.94(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 :: 7.09(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 :: 121.27(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 C 0.17 M 0.16 Q 0.11 R 0.1 H 0.09 W 0.07 E 0.05 V 0.03 C Shift Assignments>> C :: 176.16(D) CA :: 57.12(D) CB :: 32.68(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 :: 8.36(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 :: 130.23(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.19 N 0.18 K 0.06 F 0.06 C 0.05 Y 0.04 C Shift Assignments>> C :: 175.32(D) CA :: 52.94(D) CB :: 41.09(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 :: 8.26(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 :: 124.21(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.23 I 0.21 V 0.21 P 0.09 C 0.06 S 0.05 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 176.54(D) CA :: 62.02(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.G199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 G 0.27 R 0.26 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.30(D) CA :: 44.04(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.98(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.92(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 M 0.25 C 0.01 C Shift Assignments>> C :: 178.32(D) CA :: 53.10(D) CB :: 18.18(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.38(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.84(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.12 C 0.12 R 0.11 W 0.11 E 0.1 L 0.06 M 0.02 I 0.02 C Shift Assignments>> C :: 170.59(D) CA :: 56.04(D) CB :: 28.37(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 :: 8.40(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 :: 117.14(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.19 K 0.18 D 0.13 F 0.09 Y 0.06 C 0.05 C Shift Assignments>> C :: 175.10(D) CA :: 55.99(D) CB :: 42.51(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 :: 8.67(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 :: 117.30(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.21 I 0.16 E 0.07 Y 0.04 K 0.03 M 0.02 F 0.02 Q 0.02 HN Overlap>> 1.T134 1.C112 1.T134 1.C112 C Shift Assignments>> C :: 175.14(D) CA :: 61.37(D) CB :: 35.28(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 :: 9.16(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 :: 118.71(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.19 L 0.18 F 0.08 Y 0.06 C 0.05 K 0.05 HN Overlap>> 1.D167 1.D167 C Shift Assignments>> C :: 175.68(D) CA :: 53.56(D) CB :: 40.77(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 :: 9.26(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 :: 131.10(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.18 Q 0.17 C 0.16 R 0.08 H 0.07 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 172.22(D) CA :: 55.51(D) CB :: 33.17 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 :: 8.78(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 :: 123.53(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.23 D 0.1 P 0.08 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 175.21(D) CA :: 51.81(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.87(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.11(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 HN Overlap>> 1.Y126 1.Y126 C Shift Assignments>> C :: 174.86(D) CA :: 58.64(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.12(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 :: 123.24(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 M 0.24 Q 0.15 K 0.13 Y 0.04 N 0.02 F 0.02 H 0.02 R 0.01 I 0.01 W 0.01 C Shift Assignments>> C :: 175.08(D) CA :: 55.81(D) CB :: 35.31(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 :: 9.93(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 :: 128.00(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.61 C 0.2 Y 0.08 F 0.06 V 0.01 C Shift Assignments>> C :: 176.68(D) CA :: 63.08(D) CB :: 37.62(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.58(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 :: 125.07(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 L 0.27 K 0.11 D 0.09 F 0.08 C 0.05 Y 0.05 G 0.02 C Shift Assignments>> C :: 177.65(D) CA :: 56.30(D) CB :: 43.01 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 :: 9.16(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 :: 130.78(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.96(D) CA :: 57.22(D) CB :: 64.57(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.62(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 :: 109.34(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 H 0.15 R 0.15 C 0.13 K 0.1 W 0.1 Q 0.08 E 0.07 HN Overlap>> 1.I15 1.I15 C Shift Assignments>> C :: 173.48(D) CA :: 54.34(D) CB :: 31.34(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 :: 8.00(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 :: 115.85(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.26 L 0.16 F 0.05 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 179.38(D) CA :: 52.38(D) CB :: 40.83(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 :: 8.38(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 :: 120.17(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.26 V 0.21 W 0.1 K 0.09 R 0.07 H 0.05 E 0.05 M 0.05 P 0.03 Q 0.02 C Shift Assignments>> C :: 177.01(D) CA :: 60.26(D) CB :: 32.10(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) 1.D215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.25 K 0.17 F 0.07 R 0.07 Y 0.05 C 0.04 N 0.04 C Shift Assignments>> C :: 175.47(D) CA :: 54.50(D) CB :: 41.92(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 :: 7.83(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 :: 113.92(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 C 0.28 P 0.09 K 0.05 W 0.04 Q 0.03 M 0.02 R 0.02 H 0.01 E 0.01 I 0.01 HN Overlap>> 1.L68 1.L68 C Shift Assignments>> C :: 173.45(D) CA :: 61.30(D) CB :: 33.15(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 :: 7.88(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 :: 116.69(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.21 N 0.21 F 0.16 Y 0.16 C 0.11 L 0.09 I 0.01 C Shift Assignments>> C :: 176.58(D) CA :: 55.16(D) CB :: 39.40(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.05(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 :: 114.62(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 M 0.21 Q 0.16 E 0.15 K 0.12 Y 0.02 H 0.02 R 0.01 N 0.01 F 0.01 W 0.01 C Shift Assignments>> C :: 175.67(D) CA :: 55.57(D) CB :: 34.99(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 :: 8.02(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 :: 120.02(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.41 C 0.2 Y 0.19 F 0.15 E 0.02 C Shift Assignments>> C :: 172.89(D) CA :: 61.03(D) CB :: 38.12(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 :: 8.00(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.87(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 Q 0.23 C 0.18 K 0.16 H 0.04 E 0.04 R 0.04 W 0.02 V 0.01 C Shift Assignments>> C :: 174.44(D) CA :: 55.46(D) CB :: 34.09 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 :: 8.67(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 :: 128.44(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L221 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.9 G 0.07 L 0.02 C Shift Assignments>> C :: 174.21(D) CA :: 53.91(D) CB :: 50.02(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 :: 9.52(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 :: 132.40(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.28 G 0.18 C 0.07 F 0.06 D 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 171.81(D) CA :: 56.65(D) CB :: 44.12(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 :: 9.39(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 :: 129.67(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.21 K 0.17 C 0.17 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 173.51(D) CA :: 55.02(D) CB :: 33.53(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 :: 7.75(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 :: 127.08(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.24 Q 0.17 K 0.11 N 0.04 E 0.04 H 0.03 R 0.02 W 0.01 C Shift Assignments>> C :: 174.57(D) CA :: 52.93(D) CB :: 34.52(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 :: 7.90(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 :: 123.73(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 A 0.25 C 0.14 K 0.05 HN Overlap>> 1.K156 1.K156 C Shift Assignments>> C :: 176.17(D) CA :: 51.53(D) CB :: 23.05 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.16(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.42(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 I 0.29 Y 0.11 E 0.11 F 0.06 V 0.05 M 0.01 K 0.01 C Shift Assignments>> C :: 173.03(D) CA :: 61.00(D) CB :: 36.47(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 :: 8.07(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 :: 118.45(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 C 0.03 L 0.02 C Shift Assignments>> C :: 175.75(D) CA :: 49.95(D) CB :: 20.88(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.06(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.47(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 Q 0.17 C 0.16 R 0.08 H 0.07 W 0.04 E 0.03 V 0.01 C Shift Assignments>> C :: 173.93(D) CA :: 55.74(D) CB :: 33.14(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 :: 8.97(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 :: 114.71(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S229 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G230 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L231 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.41 V 0.37 C 0.14 W 0.02 I 0.01 C Shift Assignments>> C :: 176.73(D) CA :: 63.20(D) CB :: 31.97(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.D233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.08 A 0.07 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.39(D) CA :: 54.64(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 :: 8.32(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 :: 120.03(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N234 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.41(D) CA :: 52.74(D) CB :: 19.07(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.R236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 W 0.13 E 0.13 C 0.12 Q 0.11 M 0.09 K 0.07 C Shift Assignments>> C :: 175.29(D) CA :: 56.07(D) CB :: 30.61(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 :: 8.05(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 :: 120.20(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.R237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.1 K 0.08 F 0.08 C 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 180.88(D) CA :: 57.44(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 :: 7.86(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 :: 127.67(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) ########################################################################### Overall Results: #Consistent: 21 #Clerical: 210 #Suspicious: 4 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 214 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 21 Shift Relative Order (SRO) Results: #Consistent: 237 #Suspicious: 0 C Shift Results: #Consistent: 20 #Duplicate: 590 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 1 #Duplicate: 196 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 195 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.A14 C = 176.86(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.7950e-01 1.A14 CA = 53.33(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.2355e-01 1.A14 CB = 19.42(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2272e-01 1.I15 C = 175.71(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4187e-01 1.I15 CA = 60.03(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.5549e-01 1.I15 CB = 36.45(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.8050e-01 1.I15 H = 7.99(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.6976e-01 1.I15 N = 115.91(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.9472e-01 1.K16 C = 174.44(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.7133e-01 1.K16 CA = 54.65(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.9581e-01 1.K16 H = 7.78(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9440e-01 1.K16 N = 130.91(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9127e-03 1.P17 C = 176.15(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.9111e-01 1.P17 CA = 64.82(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.2696e-01 1.P17 CB = 32.06(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.5875e-01 1.D18 C = 175.08(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.5068e-01 1.D18 CA = 53.79(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5751e-01 1.D18 CB = 43.61(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.1953e-02 1.D18 H = 7.01(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.5002e-02 1.D18 N = 113.21(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.3922e-02 1.M19 C = 175.19(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.3572e-01 1.M19 CA = 53.07(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.7281e-01 1.M19 H = 8.76(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.0466e-01 1.M19 N = 119.53(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.7535e-01 1.R20 C = 175.74(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.4136e-01 1.R20 CA = 55.47(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.7359e-01 1.R20 CB = 32.15(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.2816e-01 1.R20 H = 9.08(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.6850e-01 1.R20 N = 121.07(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.4151e-01 1.I21 C = 174.75(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.6670e-01 1.I21 CA = 61.84(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.3161e-01 1.I21 CB = 43.62(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.3500e-02 1.I21 H = 8.22(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2969e-01 1.I21 N = 119.52(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.5035e-01 1.K22 C = 176.33(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.7682e-01 1.K22 CA = 54.61(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8749e-01 1.K22 CB = 35.66(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.0688e-01 1.K22 H = 9.14(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.1335e-01 1.K22 N = 126.93(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1883e-01 1.L23 C = 174.27(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6952e-01 1.L23 CA = 55.27(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6948e-01 1.L23 H = 8.82(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6404e-01 1.L23 N = 127.62(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3970e-01 1.R24 C = 173.72(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.8513e-01 1.R24 CA = 57.00(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.2069e-01 1.R24 H = 8.22(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7384e-01 1.R24 N = 127.24(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0118e-02 1.M25 C = 174.09(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.1731e-01 1.M25 CA = 53.37(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.1918e-01 1.M25 CB = 37.82(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.1064e-02 1.M25 H = 9.84(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.4551e-03 1.M25 N = 128.38(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.0226e-02 1.E26 C = 175.07(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5597e-01 1.E26 CA = 54.72(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1349e-01 1.E26 CB = 32.21(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.0087e-01 1.E26 H = 8.19(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1243e-01 1.E26 N = 126.53(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2199e-02 1.G27 C = 171.51(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.0936e-01 1.G27 CA = 45.40(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G27 H = 8.00(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.1167e-01 1.G27 N = 110.46(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3825e-01 1.N28 C = 175.31(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.8217e-01 1.N28 CA = 53.39(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.3641e-01 1.N28 CB = 41.65(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.9863e-02 1.N28 H = 7.86(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.4612e-01 1.N28 N = 115.71(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.2429e-01 1.V29 C = 175.28(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.5798e-01 1.V29 CA = 60.82(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.5928e-01 1.V29 CB = 34.85(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.3627e-01 1.V29 H = 8.49(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6532e-01 1.V29 N = 124.13(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1016e-01 1.N30 C = 174.90(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.3624e-01 1.N30 CA = 54.21(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.2155e-01 1.N30 CB = 37.30(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.1080e-01 1.N30 H = 9.03(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.7341e-01 1.N30 N = 129.13(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.1373e-02 1.G31 C = 173.79(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6606e-01 1.G31 CA = 46.04(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.0661e-01 1.G31 H = 8.34(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G31 N = 103.41(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0575e-01 1.H32 C = 174.91(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.6297e-01 1.H32 CA = 56.71(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.3445e-01 1.H32 CB = 32.07(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.7667e-01 1.H32 H = 8.17(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.1801e-01 1.H32 N = 123.12(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.9117e-01 1.H33 C = 175.24(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.9595e-01 1.H33 CA = 56.65(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.5512e-01 1.H33 CB = 31.93(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.1426e-01 1.H33 H = 8.31(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.1801e-01 1.H33 N = 128.42(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.9073e-02 1.F34 C = 173.03(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.2975e-01 1.F34 CA = 56.35(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.0085e-01 1.F34 CB = 41.95(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.4835e-01 1.F34 H = 7.79(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2856e-01 1.F34 N = 117.76(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.1987e-01 1.V35 C = 175.95(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.6211e-01 1.V35 CA = 61.62(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.6098e-01 1.V35 CB = 36.68(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.7335e-02 1.V35 H = 8.28(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8809e-01 1.V35 N = 118.53(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.6537e-01 1.I36 C = 173.32(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.8760e-01 1.I36 CA = 60.72(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3982e-01 1.I36 CB = 43.53(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.5277e-02 1.I36 H = 9.38(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0574e-01 1.I36 N = 127.36(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.6805e-01 1.D37 C = 175.78(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.2312e-01 1.D37 CA = 53.15(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.4808e-01 1.D37 H = 8.60(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1707e-01 1.D37 N = 127.30(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4925e-02 1.G38 C = 172.35(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.1880e-01 1.G38 CA = 45.21(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1679e-01 1.G38 H = 9.33(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2394e-01 1.G38 N = 106.85(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6620e-01 1.D39 C = 175.55(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.2717e-01 1.D39 CA = 53.73(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.3628e-01 1.D39 CB = 45.16(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2424e-03 1.D39 H = 8.62(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.9301e-01 1.D39 N = 124.47(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.2235e-01 1.G40 C = 173.11(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8602e-01 1.G40 CA = 46.00(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2762e-01 1.G40 H = 9.69(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6411e-02 1.G40 N = 113.11(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7406e-01 1.T41 C = 172.63(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7782e-01 1.T41 CA = 60.17(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.2865e-01 1.T41 CB = 72.55(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.3619e-02 1.T41 H = 8.83(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.4129e-01 1.T41 N = 113.00(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1042e-01 1.G42 C = 171.96(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.0965e-01 1.G42 CA = 46.55(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.7051e-01 1.G42 H = 8.89(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8894e-01 1.G42 N = 106.31(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.8528e-01 1.K43 C = 176.24(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.4148e-01 1.K43 CA = 52.80(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.9246e-02 1.K43 H = 9.11(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2519e-01 1.K43 N = 121.46(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.1340e-01 1.P44 C = 176.74(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.9472e-01 1.P44 CA = 66.10(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.8399e-02 1.Y45 C = 177.45(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.0294e-01 1.Y45 CA = 59.60(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.5811e-01 1.Y45 CB = 36.71(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.2692e-01 1.Y45 H = 8.47(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.3720e-01 1.Y45 N = 109.58(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.1938e-03 1.E46 C = 176.56(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7369e-01 1.E46 CA = 55.59(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0781e-01 1.E46 H = 7.25(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7174e-02 1.E46 N = 114.77(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9999e-02 1.G47 C = 172.95(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2459e-01 1.G47 CA = 46.67(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2459e-01 1.G47 H = 7.65(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9549e-01 1.G47 N = 106.19(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6853e-01 1.K48 C = 174.71(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.3454e-01 1.K48 CA = 54.95(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.6330e-01 1.K48 CB = 38.35(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.7866e-03 1.K48 H = 7.02(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1176e-02 1.K48 N = 115.18(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1946e-01 1.Q49 C = 172.50(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.0719e-02 1.Q49 CA = 55.53(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.2698e-01 1.Q49 CB = 29.26(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.6932e-01 1.Q49 H = 8.00(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0924e-01 1.Q49 N = 116.53(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.5065e-01 1.T50 C = 173.87(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.0344e-01 1.T50 CA = 60.81(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8617e-01 1.T50 H = 8.73(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.2934e-01 1.T50 N = 113.85(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4100e-01 1.M51 C = 172.64(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.0307e-02 1.M51 CA = 55.94(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.3923e-01 1.M51 CB = 39.70(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.7396e-03 1.M51 H = 9.42(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.3195e-02 1.M51 N = 125.17(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.5474e-01 1.D52 C = 175.26(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.1477e-01 1.D52 CA = 54.39(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8251e-01 1.D52 CB = 42.51(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.1433e-01 1.D52 H = 8.89(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.1731e-01 1.D52 N = 125.75(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.8642e-01 1.L53 C = 176.88(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5570e-01 1.L53 CA = 53.38(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9296e-01 1.L53 CB = 44.27(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.9716e-01 1.L53 H = 9.73(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1016e-02 1.L53 N = 126.27(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5815e-01 1.E54 C = 175.32(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.2669e-01 1.E54 CA = 54.64(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9974e-01 1.E54 CB = 33.74(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.0113e-02 1.E54 H = 9.08(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.0366e-01 1.E54 N = 122.07(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8746e-01 1.V55 C = 175.88(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9116e-01 1.V55 CA = 64.02(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9267e-01 1.V55 CB = 31.32(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.3087e-01 1.V55 H = 9.09(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3247e-01 1.V55 N = 127.28(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.7624e-01 1.K56 C = 177.10(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.1809e-01 1.K56 CA = 55.51(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.1276e-01 1.K56 CB = 33.22(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0911e-01 1.K56 H = 8.96(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9938e-01 1.K56 N = 130.23(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4891e-02 1.E57 C = 176.24(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.4664e-01 1.E57 CA = 55.81(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6999e-01 1.E57 CB = 33.73(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.0557e-02 1.E57 H = 8.03(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1112e-01 1.E57 N = 117.22(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2150e-01 1.G58 C = 175.00(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.4780e-01 1.G58 CA = 45.35(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0000e+00 1.G58 H = 8.90(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8053e-01 1.G58 N = 108.97(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5646e-01 1.G59 C = 172.45(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.5006e-01 1.G59 CA = 43.69(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1542e-01 1.G59 H = 8.61(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6664e-01 1.G59 N = 108.08(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8118e-01 1.P60 C = 177.04(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.4770e-01 1.P60 CA = 60.86(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.0416e-01 1.P60 CB = 33.95(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.5132e-02 1.L61 C = 177.34(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5969e-01 1.L61 CA = 53.06(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2941e-01 1.L61 CB = 40.00(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.1918e-01 1.L61 H = 9.60(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.5058e-02 1.L61 N = 126.34(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5067e-01 1.P62 C = 172.63(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.3628e-03 1.P62 CA = 62.83(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.4220e-01 1.P62 CB = 30.38(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.1285e-01 1.F63 C = 173.57(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.5255e-01 1.F63 CA = 53.39(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.8016e-02 1.F63 CB = 42.38(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.5281e-01 1.F63 H = 5.80(S), Expected = 8.36, Std = 0.7200, ChiSquare = 3.7718e-04 1.F63 N = 110.98(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.3479e-02 1.A64 C = 175.83(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.6987e-01 1.A64 CA = 52.68(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1629e-01 1.A64 CB = 20.85(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.1467e-01 1.A64 H = 7.96(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8916e-01 1.A64 N = 120.61(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5923e-01 1.F65 C = 177.25(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.5778e-01 1.F65 CA = 61.28(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.1308e-01 1.F65 CB = 39.99(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.0000e+00 1.F65 H = 7.60(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.9117e-01 1.F65 N = 128.94(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.2245e-02 1.D66 C = 178.98(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.4040e-01 1.D66 CA = 57.91(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.1269e-01 1.D66 CB = 42.04(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.7396e-01 1.D66 H = 7.94(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2352e-01 1.D66 N = 111.00(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.2419e-02 1.I67 C = 177.17(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.9177e-01 1.I67 CA = 66.91(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.7973e-02 1.I67 H = 7.19(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0895e-01 1.I67 N = 109.52(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2754e-03 1.L68 C = 181.16(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.5199e-02 1.L68 CA = 54.87(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.2475e-01 1.L68 H = 7.92(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3342e-01 1.L68 N = 116.61(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7825e-01 1.T69 C = 177.40(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.0416e-01 1.T69 CA = 66.93(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.8983e-02 1.T69 H = 7.42(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.8597e-01 1.T69 N = 105.94(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5957e-02 1.T70 C = 175.39(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.2913e-01 1.T70 CA = 63.16(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.1665e-01 1.T70 CB = 68.35(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.9720e-01 1.T70 H = 7.71(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.9264e-01 1.T70 N = 109.03(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7854e-01 1.A71 C = 175.02(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.0160e-01 1.A71 CA = 52.84(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7957e-01 1.A71 H = 7.77(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7358e-01 1.A71 N = 124.88(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4114e-01 1.F72 C = 175.79(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.5250e-01 1.F72 CA = 58.35(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1633e-01 1.F72 H = 6.18(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4636e-03 1.F72 N = 112.14(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.6807e-02 1.G75 C = 174.54(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2155e-01 1.G75 CA = 49.11(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0165e-03 1.N76 C = 174.57(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.9575e-01 1.N76 CA = 53.97(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1908e-01 1.N76 H = 9.67(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.4763e-02 1.N76 N = 116.53(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5149e-01 1.R77 C = 173.81(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.0027e-01 1.R77 CA = 52.19(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.7403e-02 1.R77 H = 7.28(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.1554e-01 1.R77 N = 133.13(S), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0653e-04 1.V78 C = 175.20(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.2505e-01 1.V78 CA = 64.10(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.7348e-01 1.V78 H = 6.98(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0557e-02 1.V78 N = 116.73(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3137e-01 1.F79 C = 174.72(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.2502e-01 1.F79 CA = 57.36(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.7936e-01 1.F79 CB = 36.99(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.5117e-01 1.F79 H = 7.06(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.0988e-02 1.F79 N = 117.19(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.3545e-01 1.V80 C = 173.18(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.9907e-01 1.V80 CA = 61.00(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.0238e-01 1.V80 CB = 37.27(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1203e-02 1.V80 H = 7.72(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9491e-01 1.V80 N = 122.03(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4458e-01 1.K81 C = 174.31(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.4402e-01 1.K81 CA = 56.10(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9923e-01 1.K81 H = 7.83(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4851e-01 1.K81 N = 125.19(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7214e-01 1.Y82 C = 175.46(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.7595e-01 1.Y82 CA = 56.41(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.9318e-01 1.Y82 H = 9.09(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.9152e-01 1.Y82 N = 134.99(S), Expected = 120.52, Std = 4.2000, ChiSquare = 5.7056e-04 1.P83 C = 176.64(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.4193e-01 1.P83 CA = 61.94(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.6047e-01 1.D84 C = 176.59(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.1354e-01 1.D84 CA = 56.29(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3059e-01 1.D84 CB = 40.66(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.9198e-01 1.D84 H = 8.52(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1730e-01 1.D84 N = 117.16(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.6592e-01 1.N85 C = 174.48(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.5897e-01 1.N85 CA = 52.76(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.7822e-01 1.N85 CB = 37.36(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.3129e-01 1.N85 H = 7.93(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.1518e-01 1.N85 N = 112.44(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.0731e-01 1.I86 C = 173.82(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9038e-01 1.I86 CA = 60.93(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.9970e-01 1.I86 CB = 41.81(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.1543e-01 1.I86 H = 7.36(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.7607e-01 1.I86 N = 120.75(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6825e-01 1.Q87 C = 173.40(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.3562e-01 1.Q87 CA = 56.48(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.6645e-01 1.Q87 CB = 28.31(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.2873e-01 1.Q87 H = 8.07(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9931e-01 1.Q87 N = 126.98(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8902e-02 1.D88 C = 174.74(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.4284e-01 1.D88 CA = 51.09(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.6163e-02 1.D88 CB = 39.75(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.8547e-01 1.D88 H = 7.87(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4808e-01 1.D88 N = 126.07(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6028e-01 1.Y89 C = 174.72(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.3257e-01 1.Y89 CA = 59.90(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.8070e-01 1.Y89 CB = 41.32(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.5448e-01 1.Y89 H = 8.44(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.6943e-01 1.Y89 N = 124.72(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.1731e-01 1.F90 C = 179.14(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.1575e-02 1.F90 CA = 60.15(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.2056e-01 1.F90 CB = 38.26(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0781e-01 1.F90 H = 6.67(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.8914e-02 1.F90 N = 111.55(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.3239e-02 1.K91 C = 178.75(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.9143e-01 1.K91 CA = 61.23(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.1720e-02 1.K91 CB = 31.59(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.0021e-01 1.K91 H = 8.14(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3359e-01 1.K91 N = 119.54(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.8877e-01 1.Q92 C = 176.29(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.9182e-01 1.Q92 CA = 57.23(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.5777e-01 1.Q92 CB = 28.86(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5612e-01 1.Q92 H = 6.93(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.8783e-02 1.Q92 N = 113.76(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.8610e-02 1.S93 C = 172.71(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.6680e-01 1.S93 CA = 60.92(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8787e-01 1.S93 CB = 63.30(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.3549e-01 1.S93 H = 7.11(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7362e-02 1.S93 N = 114.01(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1900e-01 1.F94 C = 173.43(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.1731e-01 1.F94 CA = 58.90(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4968e-01 1.F94 CB = 39.05(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.5288e-01 1.F94 H = 7.04(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6753e-02 1.F94 N = 120.12(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.3707e-01 1.P95 Typing: Mistyped 1.P95 C = 176.75(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.0000e+00 1.P95 CA = 64.57(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.1462e-01 1.P95 CB = 36.88(S), Expected = 31.85, Std = 1.1800, ChiSquare = 2.0196e-05 1.K96 C = 178.25(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.2082e-01 1.K96 CA = 61.05(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.2373e-02 1.K96 CB = 32.39(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2220e-01 1.K96 H = 9.49(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0260e-02 1.K96 N = 123.22(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6489e-01 1.G97 C = 172.99(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.3972e-01 1.G97 CA = 44.09(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4706e-01 1.G97 H = 8.44(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6562e-01 1.G97 N = 103.64(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1920e-01 1.Y98 C = 170.35(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.1159e-02 1.Y98 CA = 55.78(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.4914e-01 1.Y98 CB = 40.27(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.6007e-01 1.Y98 H = 7.91(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.7436e-01 1.Y98 N = 113.07(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.6095e-02 1.S99 C = 173.18(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.0248e-01 1.S99 CA = 56.48(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7920e-01 1.S99 CB = 67.41(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.4720e-02 1.S99 H = 8.67(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.0860e-01 1.S99 N = 113.16(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7542e-01 1.W100 C = 175.09(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.0834e-01 1.W100 CA = 54.37(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.0224e-01 1.W100 CB = 35.14(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.0703e-02 1.W100 H = 8.65(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.4861e-01 1.W100 N = 116.53(D), Expected = 121.68, Std = 4.1800, ChiSquare = 2.1793e-01 1.E101 C = 174.51(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.2618e-01 1.E101 CA = 55.74(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4966e-01 1.E101 CB = 33.42(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.7417e-02 1.E101 H = 8.52(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4743e-01 1.E101 N = 119.69(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7824e-01 1.R102 Typing: Mistyped 1.R102 C = 174.51(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.4929e-01 1.R102 CA = 54.04(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3728e-01 1.R102 CB = 38.54(S), Expected = 30.70, Std = 1.8300, ChiSquare = 1.8344e-05 1.R102 H = 9.83(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.1458e-03 1.R102 N = 126.21(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.4153e-01 1.S103 C = 173.16(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.9597e-01 1.S103 CA = 56.49(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8135e-01 1.S103 CB = 65.36(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.9186e-01 1.S103 H = 8.90(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.9333e-01 1.S103 N = 120.44(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3728e-01 1.L104 C = 175.01(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.1731e-01 1.L104 CA = 55.61(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9625e-01 1.L104 CB = 42.80(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.9437e-01 1.L104 H = 8.64(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2819e-01 1.L104 N = 124.91(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3418e-01 1.T105 C = 174.48(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.7280e-01 1.T105 CA = 61.47(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.7214e-01 1.T105 CB = 69.70(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.8532e-01 1.T105 H = 8.46(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2271e-01 1.T105 N = 119.02(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.4851e-01 1.F106 C = 179.66(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.3118e-02 1.F106 CA = 58.60(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.3966e-01 1.F106 CB = 41.11(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.9204e-01 1.F106 H = 9.19(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4900e-01 1.F106 N = 127.11(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1109e-01 1.E107 C = 175.37(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.4176e-01 1.E107 CA = 59.02(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.1599e-01 1.E107 CB = 30.53(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.6240e-01 1.E107 H = 8.10(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9666e-01 1.E107 N = 117.83(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.1445e-01 1.D108 C = 176.61(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.0448e-01 1.D108 CA = 52.41(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6137e-01 1.D108 CB = 41.03(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.2623e-01 1.D108 H = 8.08(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9170e-01 1.D108 N = 117.19(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7005e-01 1.G109 C = 174.73(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4735e-01 1.G109 CA = 45.16(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8725e-01 1.G109 H = 7.82(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3268e-01 1.G109 N = 106.89(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7254e-01 1.G110 C = 172.39(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.3115e-01 1.G110 CA = 45.94(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5972e-01 1.G110 H = 6.94(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2479e-02 1.G110 N = 104.25(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6136e-01 1.I111 C = 176.13(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.8405e-01 1.I111 CA = 59.45(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.2026e-01 1.I111 CB = 42.27(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.1549e-02 1.I111 H = 8.27(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8827e-01 1.I111 N = 122.96(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2599e-01 1.C112 C = 173.15(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.8454e-01 1.C112 CA = 55.00(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.2169e-01 1.C112 CB = 32.45(D), Expected = 32.49, Std = 6.0100, ChiSquare = 9.9469e-01 1.C112 H = 9.18(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.3836e-01 1.C112 N = 118.78(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.6451e-01 1.N113 C = 172.71(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.5267e-01 1.N113 CA = 52.76(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.7822e-01 1.N113 CB = 42.81(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.4774e-02 1.N113 H = 9.39(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.5581e-02 1.N113 N = 121.15(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.8172e-01 1.A114 C = 174.44(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.2131e-01 1.A114 CA = 49.66(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8820e-02 1.A114 CB = 23.00(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.9233e-02 1.A114 H = 8.97(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9938e-01 1.A114 N = 124.17(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9060e-01 1.R115 C = 172.74(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.0625e-02 1.R115 CA = 54.64(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.5649e-01 1.R115 CB = 33.76(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.4498e-02 1.R115 H = 8.51(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5804e-01 1.R115 N = 119.70(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.6501e-01 1.N116 C = 173.73(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.8960e-01 1.N116 CA = 50.72(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3361e-01 1.N116 CB = 40.17(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.8117e-01 1.N116 H = 7.25(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.3602e-02 1.N116 N = 117.90(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.9827e-01 1.D117 C = 174.12(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.9262e-01 1.D117 CA = 54.36(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.7086e-01 1.D117 CB = 43.95(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.8084e-02 1.D117 H = 7.96(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.4621e-01 1.D117 N = 127.23(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8257e-02 1.I118 C = 176.25(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.3497e-01 1.I118 CA = 61.65(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.8809e-01 1.I118 CB = 39.23(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.6644e-01 1.I118 H = 8.22(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2969e-01 1.I118 N = 126.10(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7832e-01 1.T119 C = 173.77(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.6175e-01 1.T119 CA = 59.91(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.7245e-01 1.T119 CB = 72.54(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.4721e-02 1.T119 H = 9.08(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.7547e-01 1.T119 N = 118.33(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.4012e-01 1.M120 C = 174.85(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.2454e-01 1.M120 CA = 55.34(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.2988e-01 1.M120 CB = 38.53(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.3390e-02 1.M120 H = 9.22(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.0960e-01 1.M120 N = 120.77(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.4894e-01 1.E121 C = 176.83(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.8363e-01 1.E121 CA = 56.42(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.6674e-01 1.E121 CB = 32.53(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.4289e-01 1.E121 H = 8.80(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2568e-01 1.E121 N = 125.08(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.0507e-01 1.G122 C = 173.86(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9576e-01 1.G122 CA = 47.85(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2088e-02 1.D123 C = 174.61(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.0638e-01 1.D123 CA = 53.19(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5996e-01 1.D123 CB = 40.84(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.8030e-01 1.D123 H = 8.38(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0394e-01 1.D123 N = 126.39(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.3700e-01 1.T124 C = 173.46(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.3946e-01 1.T124 CA = 61.74(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5297e-01 1.T124 CB = 71.99(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.6559e-01 1.T124 H = 7.85(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.2933e-01 1.T124 N = 114.77(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9116e-01 1.F125 C = 174.30(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.7356e-01 1.F125 CA = 57.43(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.0033e-01 1.F125 H = 8.71(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2689e-01 1.F125 N = 122.27(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.6327e-01 1.Y126 C = 175.03(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.5250e-01 1.Y126 CA = 58.54(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.7025e-01 1.Y126 H = 9.22(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.1762e-01 1.Y126 N = 123.23(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.1877e-01 1.N127 C = 174.29(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.8404e-01 1.N127 CA = 53.24(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.7322e-01 1.N127 CB = 42.19(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.8358e-02 1.N127 H = 8.14(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5089e-01 1.N127 N = 118.17(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.5042e-01 1.K128 C = 174.05(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9532e-01 1.K128 CA = 55.94(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4617e-01 1.K128 CB = 33.53(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7761e-01 1.K128 H = 8.31(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4148e-01 1.K128 N = 129.47(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5521e-02 1.V129 C = 176.15(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.8029e-01 1.V129 CA = 60.51(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8874e-01 1.V129 CB = 34.23(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.0204e-01 1.V129 H = 8.81(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3768e-01 1.V129 N = 125.74(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1096e-01 1.R130 C = 174.99(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.8424e-01 1.R130 CA = 54.09(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.4598e-01 1.R130 CB = 33.27(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.6021e-01 1.R130 H = 8.83(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.3344e-01 1.R130 N = 128.30(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.1546e-02 1.F131 C = 172.49(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.4092e-01 1.F131 CA = 57.48(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.1540e-01 1.F131 CB = 44.77(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.2191e-02 1.F131 H = 8.11(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.2842e-01 1.F131 N = 124.76(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.0249e-01 1.Y132 C = 174.58(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.8029e-01 1.Y132 CA = 56.00(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.9610e-01 1.Y132 CB = 41.85(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.4148e-01 1.Y132 H = 8.77(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.3761e-01 1.Y132 N = 130.47(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7834e-02 1.G133 C = 172.27(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.9473e-01 1.G133 CA = 46.52(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.8259e-01 1.G133 H = 9.14(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.1271e-01 1.G133 N = 111.69(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.0170e-01 1.T134 C = 171.18(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6250e-02 1.T134 CA = 60.68(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.5211e-01 1.T134 CB = 70.26(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.4506e-01 1.T134 H = 9.13(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.5115e-01 1.T134 N = 118.64(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.9784e-01 1.N135 C = 175.07(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.1104e-01 1.N135 CA = 54.09(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.6986e-01 1.N135 CB = 37.35(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.2784e-01 1.N135 H = 8.33(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8734e-01 1.N135 N = 115.29(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.6641e-01 1.F136 C = 175.26(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.3592e-01 1.F136 CA = 58.48(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.7632e-01 1.F136 H = 8.34(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.7784e-01 1.F136 N = 117.70(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.1061e-01 1.A138 C = 177.59(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4386e-01 1.A138 CA = 55.51(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3132e-01 1.A138 CB = 18.34(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1428e-01 1.N139 C = 175.58(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.6251e-01 1.N139 CA = 52.04(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.2494e-01 1.N139 CB = 37.88(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.3173e-01 1.N139 H = 8.15(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.6297e-01 1.N139 N = 110.68(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.0644e-02 1.G140 C = 171.22(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.5867e-01 1.G140 CA = 45.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4051e-01 1.G140 H = 7.34(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2774e-01 1.G140 N = 106.16(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6442e-01 1.P141 C = 177.49(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.2409e-01 1.P141 CA = 64.24(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.4938e-01 1.P141 CB = 32.75(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.4564e-01 1.V142 C = 178.54(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.2433e-01 1.V142 CA = 65.84(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4147e-01 1.V142 CB = 31.30(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.2436e-01 1.V142 H = 6.63(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3226e-02 1.V142 N = 116.88(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4808e-01 1.M143 C = 178.01(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.8125e-01 1.M143 CA = 55.25(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.9976e-01 1.M143 CB = 28.50(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.5020e-02 1.M143 H = 8.87(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.0931e-01 1.M143 N = 119.58(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.8640e-01 1.Q144 C = 174.63(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.8894e-01 1.Q144 CA = 54.89(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.3243e-01 1.Q144 CB = 28.56(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.2923e-01 1.Q144 H = 7.58(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.7803e-01 1.Q144 N = 111.70(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.2906e-02 1.K145 C = 176.29(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.6108e-01 1.K145 CA = 58.30(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.3946e-01 1.K145 CB = 28.62(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.9145e-02 1.K145 H = 7.25(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.1719e-01 1.K145 N = 115.57(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4606e-01 1.K146 C = 176.08(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.7948e-01 1.K146 CA = 54.23(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1632e-01 1.K146 CB = 33.35(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5306e-01 1.K146 H = 8.35(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8973e-01 1.K146 N = 115.97(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.7783e-01 1.T147 C = 174.38(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.2757e-01 1.T147 CA = 61.78(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.6510e-01 1.T147 CB = 68.43(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.2513e-01 1.T147 H = 7.76(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.3882e-01 1.T147 N = 110.07(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.6003e-01 1.L148 C = 177.65(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.3888e-01 1.L148 CA = 56.28(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5667e-01 1.L148 CB = 44.12(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.3567e-01 1.L148 H = 9.26(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1305e-01 1.L148 N = 119.70(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7968e-01 1.K149 C = 174.91(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.8704e-01 1.K149 CA = 56.22(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.4003e-01 1.K149 CB = 32.48(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6174e-01 1.K149 H = 7.06(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9655e-02 1.K149 N = 111.84(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4567e-02 1.W150 C = 177.50(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.9236e-01 1.W150 CA = 57.32(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.9516e-01 1.W150 CB = 30.15(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.4447e-01 1.W150 H = 8.76(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.5189e-01 1.W150 N = 121.14(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.9721e-01 1.E151 C = 176.38(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.0160e-01 1.E151 CA = 54.96(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5882e-01 1.E151 CB = 28.64(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.2573e-01 1.E151 H = 8.90(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3399e-01 1.E151 N = 121.90(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2375e-01 1.P152 C = 176.69(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.6830e-01 1.P152 CA = 64.27(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.3630e-01 1.S153 C = 174.80(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.1665e-01 1.S153 CA = 57.59(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.8514e-01 1.S153 H = 7.82(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.3559e-01 1.S153 N = 114.31(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7571e-01 1.T154 C = 172.53(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.5344e-01 1.T154 CA = 62.52(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0779e-01 1.T154 CB = 71.70(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.2682e-01 1.T154 H = 8.39(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0883e-01 1.T154 N = 115.78(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.3959e-01 1.E155 C = 174.56(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.3617e-01 1.E155 CA = 54.54(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.8347e-01 1.E155 CB = 32.11(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.2211e-01 1.E155 H = 10.11(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5533e-03 1.E155 N = 130.55(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5244e-03 1.K156 C = 174.52(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.8914e-01 1.K156 CA = 56.44(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.1668e-01 1.K156 CB = 33.13(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.4852e-01 1.K156 H = 9.18(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8943e-02 1.K156 N = 130.46(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2560e-02 1.M157 C = 176.04(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.4659e-01 1.M157 CA = 52.78(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.3537e-01 1.M157 CB = 32.13(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.0103e-01 1.M157 H = 8.27(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8670e-01 1.M157 N = 124.55(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.1156e-01 1.Y158 C = 171.86(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.5257e-02 1.Y158 CA = 56.19(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.3958e-01 1.Y158 CB = 38.40(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.7016e-01 1.Y158 H = 9.55(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.2002e-02 1.Y158 N = 121.32(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.4894e-01 1.V159 C = 175.17(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.1278e-01 1.V159 CA = 62.33(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5539e-01 1.V159 CB = 32.27(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.9719e-01 1.V159 H = 8.79(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.5551e-01 1.V159 N = 120.48(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.8442e-01 1.R160 C = 176.02(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.4765e-01 1.R160 CA = 55.56(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.0041e-01 1.R160 H = 8.33(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8271e-01 1.R160 N = 129.48(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8339e-02 1.D161 C = 175.56(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.3123e-01 1.D161 CA = 54.77(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.6856e-01 1.D161 CB = 39.78(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.9713e-01 1.G162 C = 173.12(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8994e-01 1.G162 CA = 45.62(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4031e-01 1.G162 H = 8.09(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1196e-01 1.G162 N = 101.45(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3668e-02 1.V163 C = 176.07(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.1278e-01 1.V163 CA = 60.65(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.1999e-01 1.V163 CB = 35.17(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7284e-01 1.V163 H = 7.62(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1731e-01 1.V163 N = 119.40(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0153e-01 1.L164 C = 173.18(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.4324e-02 1.L164 CA = 56.64(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3203e-01 1.L164 CB = 41.04(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9934e-01 1.L164 H = 8.96(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6140e-01 1.L164 N = 132.02(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1840e-03 1.T165 C = 171.21(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.8485e-02 1.T165 CA = 61.59(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.0782e-01 1.T165 CB = 71.96(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.7128e-01 1.T165 H = 9.38(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5958e-02 1.T165 N = 127.37(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.1877e-02 1.G166 C = 175.44(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.0366e-01 1.G166 CA = 45.22(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2271e-01 1.G166 H = 9.51(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9465e-02 1.G166 N = 109.86(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6084e-01 1.D167 C = 176.50(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.5443e-01 1.D167 CA = 53.11(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3638e-01 1.D167 CB = 44.15(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.3537e-02 1.I168 C = 175.38(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.0662e-01 1.I168 CA = 61.54(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.7916e-01 1.I168 CB = 41.98(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7234e-02 1.I168 H = 8.83(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1862e-01 1.I168 N = 118.61(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0548e-01 1.E169 C = 175.30(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.2075e-01 1.E169 CA = 56.48(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8775e-01 1.E169 CB = 28.73(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5676e-01 1.E169 H = 9.09(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.9770e-01 1.E169 N = 130.10(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7330e-03 1.M170 C = 176.46(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.9343e-01 1.M170 CA = 53.34(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.1418e-01 1.M170 CB = 36.89(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.1671e-02 1.M170 H = 8.36(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.6763e-01 1.M170 N = 123.09(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.0072e-01 1.A171 C = 175.09(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.1345e-01 1.A171 CA = 52.54(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6187e-01 1.A171 CB = 21.91(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.1303e-01 1.A171 H = 9.48(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2897e-02 1.A171 N = 123.24(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9775e-01 1.L172 C = 176.42(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.7344e-01 1.L172 CA = 53.87(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1131e-01 1.L172 CB = 43.33(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8744e-01 1.L172 H = 9.33(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0587e-02 1.L172 N = 125.49(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5197e-01 1.L173 C = 175.13(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4753e-01 1.L173 CA = 54.90(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3534e-01 1.L173 CB = 43.27(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0960e-01 1.L173 H = 9.04(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1271e-01 1.L173 N = 125.97(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9195e-01 1.L174 C = 177.16(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3158e-01 1.L174 CA = 52.34(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2358e-01 1.L174 CB = 44.79(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.8712e-01 1.L174 H = 8.74(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3268e-01 1.L174 N = 125.07(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.1046e-01 1.E175 C = 177.15(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.8582e-01 1.E175 CA = 58.34(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2552e-01 1.E175 CB = 30.19(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1665e-01 1.E175 H = 8.02(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9929e-01 1.E175 N = 119.23(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7903e-01 1.G176 C = 174.96(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6206e-01 1.G176 CA = 45.78(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4829e-01 1.G176 H = 7.02(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3864e-02 1.G176 N = 116.23(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0058e-02 1.N177 C = 173.32(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.7598e-01 1.N177 CA = 54.69(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.4073e-01 1.N177 CB = 36.76(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.5345e-01 1.N177 H = 8.67(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.0041e-01 1.N177 N = 114.64(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.8709e-01 1.A178 C = 175.24(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.4051e-01 1.A178 CA = 51.13(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1003e-01 1.A178 CB = 21.18(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3570e-01 1.A178 H = 6.74(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4961e-02 1.A178 N = 120.12(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7966e-01 1.H179 C = 174.57(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.2996e-01 1.H179 CA = 56.72(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.3101e-01 1.H179 CB = 34.20(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.5743e-02 1.H179 H = 8.55(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.4847e-01 1.H179 N = 115.49(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.9372e-01 1.Y180 C = 174.52(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.5834e-01 1.Y180 CA = 55.01(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.1386e-01 1.Y180 CB = 41.43(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.2864e-01 1.Y180 H = 9.10(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.8530e-01 1.Y180 N = 126.08(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.8557e-01 1.R181 C = 175.10(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.1872e-01 1.R181 CA = 57.43(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7510e-01 1.R181 CB = 31.93(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.0150e-01 1.R181 H = 9.77(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.2135e-02 1.R181 N = 128.35(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0206e-02 1.C182 C = 172.57(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.5024e-01 1.C182 CA = 56.83(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.5889e-01 1.C182 CB = 31.93(D), Expected = 32.49, Std = 6.0100, ChiSquare = 9.2576e-01 1.C182 H = 8.11(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.7601e-01 1.C182 N = 118.67(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.4649e-01 1.D183 C = 175.96(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.0148e-01 1.D183 CA = 54.17(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9783e-01 1.D183 CB = 42.70(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.6124e-01 1.D183 H = 8.52(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1730e-01 1.D183 N = 127.84(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2505e-02 1.F184 C = 176.17(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.0626e-01 1.F184 CA = 54.81(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.0324e-01 1.F184 CB = 42.17(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.9692e-01 1.F184 H = 9.38(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.5658e-01 1.F184 N = 126.97(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1880e-01 1.R185 C = 175.27(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.7440e-01 1.R185 CA = 56.97(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.3101e-01 1.R185 CB = 32.47(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.3344e-01 1.R185 H = 7.97(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5804e-01 1.R185 N = 120.91(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.7615e-01 1.T186 C = 173.05(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.9722e-01 1.T186 CA = 60.48(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.0170e-01 1.T186 CB = 70.08(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.2998e-01 1.T186 H = 9.42(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.7011e-02 1.T186 N = 125.14(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.0725e-02 1.T187 C = 173.53(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6606e-01 1.T187 CA = 60.21(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.3771e-01 1.T187 CB = 70.44(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.6314e-01 1.T187 H = 9.31(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4382e-02 1.T187 N = 117.30(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.9226e-01 1.Y188 C = 174.87(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.8998e-01 1.Y188 CA = 57.07(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.7280e-01 1.Y188 CB = 42.23(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.7791e-01 1.Y188 H = 8.89(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.3491e-01 1.Y188 N = 122.84(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.8069e-01 1.K189 C = 176.07(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.7564e-01 1.K189 CA = 56.45(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2021e-01 1.K189 CB = 36.20(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.5400e-02 1.K189 H = 9.27(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1861e-02 1.K189 N = 120.31(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4439e-01 1.A190 C = 177.46(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.9542e-01 1.A190 CA = 53.03(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.5570e-01 1.A190 CB = 17.96(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6612e-01 1.A190 H = 8.67(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3343e-01 1.A190 N = 130.69(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5088e-02 1.K191 C = 177.71(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.9265e-01 1.K191 CA = 58.49(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8393e-01 1.K191 CB = 32.93(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3731e-01 1.K191 H = 8.28(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8076e-01 1.K191 N = 121.65(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7355e-01 1.E192 C = 175.91(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.2250e-01 1.E192 CA = 55.29(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3140e-01 1.E192 CB = 30.62(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.2285e-01 1.E192 H = 8.65(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.8756e-01 1.E192 N = 120.30(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1533e-01 1.G194 C = 174.52(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2953e-01 1.G194 CA = 45.66(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1705e-01 1.V195 C = 176.55(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.2451e-01 1.V195 CA = 63.61(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9535e-01 1.V195 CB = 30.94(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.1731e-01 1.V195 H = 7.09(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3286e-02 1.V195 N = 121.27(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7716e-01 1.K196 C = 176.16(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.1033e-01 1.K196 CA = 57.12(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.3841e-01 1.K196 CB = 32.68(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5072e-01 1.K196 H = 8.36(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7692e-01 1.K196 N = 130.23(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4891e-02 1.L197 C = 175.32(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.9899e-01 1.L197 CA = 52.94(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0831e-01 1.L197 CB = 41.09(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.1638e-01 1.L197 H = 8.26(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6319e-01 1.L197 N = 124.21(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4680e-01 1.P198 C = 176.54(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.8939e-01 1.P198 CA = 62.02(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.8877e-01 1.G199 C = 173.30(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.6174e-01 1.G199 CA = 44.04(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2827e-01 1.G199 H = 7.98(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9026e-01 1.G199 N = 103.92(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3733e-01 1.A200 C = 178.32(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.8539e-01 1.A200 CA = 53.10(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.8388e-01 1.A200 CB = 18.18(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5015e-01 1.A200 H = 8.38(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6418e-01 1.A200 N = 123.84(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6319e-01 1.H201 C = 170.59(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.8007e-02 1.H201 CA = 56.04(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.3539e-01 1.H201 CB = 28.37(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.6632e-01 1.H201 H = 8.40(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1398e-01 1.H201 N = 117.14(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.2380e-01 1.F202 C = 175.10(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.7225e-01 1.F202 CA = 55.99(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.1609e-01 1.F202 CB = 42.51(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.2792e-01 1.F202 H = 8.67(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6679e-01 1.F202 N = 117.30(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5110e-01 1.V203 C = 175.14(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0055e-01 1.V203 CA = 61.37(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9535e-01 1.V203 CB = 35.28(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.5428e-01 1.V203 H = 9.16(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9411e-01 1.V203 N = 118.71(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9248e-01 1.D204 C = 175.68(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.8076e-01 1.D204 CA = 53.56(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7777e-01 1.D204 CB = 40.77(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4586e-01 1.D204 H = 9.26(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.0144e-01 1.D204 N = 131.10(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.7842e-03 1.H205 C = 172.22(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.2403e-01 1.H205 CA = 55.51(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.6194e-01 1.H205 H = 8.78(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.2713e-01 1.H205 N = 123.53(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.3706e-01 1.A206 C = 175.21(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.3491e-01 1.A206 CA = 51.81(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0176e-01 1.A206 H = 7.87(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8232e-01 1.A206 N = 122.11(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5171e-01 1.I207 C = 174.86(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.0612e-01 1.I207 CA = 58.64(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6777e-01 1.I207 H = 9.12(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1672e-01 1.I207 N = 123.24(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7749e-01 1.E208 C = 175.08(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5865e-01 1.E208 CA = 55.81(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6999e-01 1.E208 CB = 35.31(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.0603e-03 1.E208 H = 9.93(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6906e-03 1.E208 N = 128.00(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5176e-02 1.I209 C = 176.68(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.6553e-01 1.I209 CA = 63.08(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.8334e-01 1.I209 CB = 37.62(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.1707e-01 1.I209 H = 9.58(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.5906e-02 1.I209 N = 125.07(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.9897e-01 1.L210 C = 177.65(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.3888e-01 1.L210 CA = 56.30(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.4954e-01 1.L210 H = 9.16(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5250e-01 1.L210 N = 130.78(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2185e-02 1.S211 C = 171.96(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.2198e-01 1.S211 CA = 57.22(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6867e-01 1.S211 CB = 64.57(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0288e-01 1.S211 H = 7.62(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.6329e-01 1.S211 N = 109.34(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8656e-02 1.H212 C = 173.48(D), Expected = 175.25, Std = 1.9700, ChiSquare = 3.6893e-01 1.H212 CA = 54.34(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.4531e-01 1.H212 CB = 31.34(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.9514e-01 1.H212 H = 8.00(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.2413e-01 1.H212 N = 115.85(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.3706e-01 1.D213 C = 179.38(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.8595e-02 1.D213 CA = 52.38(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.5515e-01 1.D213 CB = 40.83(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.7538e-01 1.D213 H = 8.38(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0394e-01 1.D213 N = 120.17(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0104e-01 1.K214 C = 177.01(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.5323e-01 1.K214 CA = 60.26(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3244e-01 1.K214 CB = 32.10(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.9828e-01 1.D215 C = 175.47(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.9512e-01 1.D215 CA = 54.50(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2543e-01 1.D215 CB = 41.92(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.2089e-01 1.D215 H = 7.83(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.0791e-01 1.D215 N = 113.92(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.1242e-02 1.Y216 C = 173.45(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.2714e-01 1.Y216 CA = 61.30(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.0661e-01 1.Y216 CB = 33.15(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.2836e-03 1.Y216 H = 7.88(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.4668e-01 1.Y216 N = 116.69(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.6182e-01 1.N217 C = 176.58(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.6426e-01 1.N217 CA = 55.16(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.8885e-01 1.N217 CB = 39.40(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.7440e-01 1.N217 H = 9.05(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.5975e-01 1.N217 N = 114.62(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.8485e-01 1.K218 C = 175.67(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.2768e-01 1.K218 CA = 55.57(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.3048e-01 1.K218 CB = 34.99(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.1648e-01 1.K218 H = 8.02(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7692e-01 1.K218 N = 120.02(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.8469e-01 1.V219 C = 172.89(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.5076e-01 1.V219 CA = 61.03(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.0971e-01 1.V219 CB = 38.12(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.6024e-03 1.V219 H = 8.00(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6513e-01 1.V219 N = 122.87(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0316e-01 1.K220 C = 174.44(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.7133e-01 1.K220 CA = 55.46(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.9823e-01 1.K220 H = 8.67(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.2371e-01 1.K220 N = 128.44(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9971e-02 1.L221 C = 174.21(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6031e-01 1.L221 CA = 53.91(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2208e-01 1.L221 CB = 50.02(S), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1126e-05 1.L221 H = 9.52(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7187e-02 1.L221 N = 132.40(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8807e-03 1.Y222 C = 171.81(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.1228e-02 1.Y222 CA = 56.65(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.5543e-01 1.Y222 CB = 44.12(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.6268e-02 1.Y222 H = 9.39(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.4272e-01 1.Y222 N = 129.67(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.9364e-02 1.E223 C = 173.51(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4875e-02 1.E223 CA = 55.02(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.7112e-01 1.E223 CB = 33.53(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.0706e-02 1.E223 H = 7.75(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2558e-01 1.E223 N = 127.08(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5482e-02 1.H224 C = 174.57(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.2996e-01 1.H224 CA = 52.93(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.2016e-01 1.H224 CB = 34.52(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.8675e-02 1.H224 H = 7.90(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.1707e-01 1.H224 N = 123.73(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.1250e-01 1.A225 C = 176.17(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.6107e-01 1.A225 CA = 51.53(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.1614e-01 1.A225 H = 9.16(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0960e-01 1.A225 N = 130.42(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2248e-02 1.V226 C = 173.03(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.7283e-01 1.V226 CA = 61.00(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.0238e-01 1.V226 CB = 36.47(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6673e-02 1.V226 H = 8.07(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4264e-01 1.V226 N = 118.45(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5351e-01 1.A227 C = 175.75(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.5016e-01 1.A227 CA = 49.95(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.0716e-01 1.A227 CB = 20.88(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.0685e-01 1.A227 H = 8.06(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1550e-01 1.A227 N = 128.47(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.3881e-01 1.H228 C = 173.93(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.0283e-01 1.H228 CA = 55.74(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.3562e-01 1.H228 CB = 33.14(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.6122e-01 1.H228 H = 8.97(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.8303e-01 1.H228 N = 114.71(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.1313e-01 1.P232 C = 176.73(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8943e-01 1.P232 CA = 63.20(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.3184e-01 1.P232 CB = 31.97(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.1900e-01 1.D233 C = 176.39(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.9544e-01 1.D233 CA = 54.64(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.8035e-01 1.D233 H = 8.32(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D233 N = 120.03(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7239e-01 1.A235 C = 177.41(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.7688e-01 1.A235 CA = 52.74(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.3990e-01 1.A235 CB = 19.07(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.7384e-01 1.R236 C = 175.29(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.8114e-01 1.R236 CA = 56.07(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.6187e-01 1.R236 CB = 30.61(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6078e-01 1.R236 H = 8.05(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5544e-01 1.R236 N = 120.20(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7048e-01 1.R237 C = 180.88(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.7667e-02 1.R237 CA = 57.44(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7178e-01 1.R237 H = 7.86(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.3332e-01 1.R237 N = 127.67(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.1923e-02