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.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R3 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.837(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 :: 122.82(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.P4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.18 W 0.16 E 0.12 K 0.1 I 0.1 H 0.09 R 0.08 Q 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 178.03(D) CA :: 59.55(D) CB :: 29.43(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>> HA :: 3.932(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) 1.S6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.41(D) CA :: 61.98(D) CB :: 61.98(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.184(D) HA :: 3.790(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 :: 116.62(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 H 0.1 Q 0.1 R 0.09 I 0.06 M 0.02 V 0.01 HN Overlap>> 1.L27 1.E118 1.L27 1.E118 C Shift Assignments>> C :: 178.90(D) CA :: 58.93(D) CB :: 29.47(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 :: 7.963(D) HA :: 4.163(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 :: 121.44(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 F 0.2 Y 0.15 L 0.15 D 0.08 C 0.08 R 0.04 I 0.03 C Shift Assignments>> C :: 181.98(D) CA :: 57.62(D) CB :: 41.50(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.481(D) HA :: 4.191(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 :: 118.28(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 C 0.23 V 0.07 Y 0.04 F 0.03 C Shift Assignments>> C :: 177.20(D) CA :: 64.04(D) CB :: 36.89(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 :: 7.768(D) HA :: 3.412(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 :: 121.69(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.18 W 0.14 P 0.09 I 0.07 E 0.06 R 0.06 H 0.04 K 0.03 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.00(D) CA :: 61.19(D) CB :: 30.72(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 :: 8.329(D) HA :: 3.878(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 :: 118.98(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.Q11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 I 0.13 K 0.12 E 0.1 Q 0.1 H 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 178.83(D) CA :: 59.10(D) CB :: 28.49(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.682(D) HA :: 4.145(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 :: 116.65(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.77(D) CA :: 60.82(D) CB :: 64.21(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.841(D) HA :: 4.516(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 :: 113.35(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.13 R 0.12 K 0.11 E 0.1 H 0.1 M 0.09 V 0.06 Q 0.05 C Shift Assignments>> C :: 177.75(D) CA :: 58.69(D) CB :: 31.50(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.051(D) HA :: 4.830(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 :: 123.43(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.17 E 0.12 R 0.1 H 0.09 Q 0.07 I 0.06 K 0.06 V 0.04 M 0.02 C Shift Assignments>> C :: 178.37(D) CA :: 59.64(D) CB :: 30.10(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 :: 7.857(D) HA :: 3.910(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 :: 118.03(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.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 P 0.26 C 0.09 I 0.01 C Shift Assignments>> C :: 178.58(D) CA :: 66.18(D) CB :: 32.02(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 :: 7.048(D) HA :: 3.572(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 :: 116.76(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 V 0.4 C 0.1 I 0.02 W 0.01 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 178.01(D) CA :: 64.65(D) CB :: 31.49(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 :: 6.843(D) HA :: 2.790(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 :: 120.38(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.42(D) CA :: 60.52(D) CB :: 62.72(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.065(D) HA :: 3.388(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 :: 111.74(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 E 0.13 R 0.13 H 0.12 Q 0.08 K 0.07 M 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 177.74(D) CA :: 58.30(D) CB :: 30.79(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.946(D) HA :: 4.186(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 :: 119.65(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.S19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.24(D) CB :: 62.85(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.541(D) HA :: 4.849(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 :: 110.11(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.2 I 0.17 W 0.16 E 0.09 K 0.09 H 0.07 Q 0.06 R 0.06 V 0.02 M 0.01 C Shift Assignments>> C :: 180.02(D) CA :: 60.17(D) CB :: 29.08(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>> HA :: 4.055(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) 1.H23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.17 I 0.11 E 0.09 V 0.08 R 0.08 H 0.07 Q 0.05 K 0.05 P 0.01 M 0.01 C Shift Assignments>> C :: 178.32(D) CA :: 60.55(D) CB :: 30.06(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 :: 7.670(D) HA :: 4.597(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 :: 117.85(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.54 A 0.15 G 0.13 N 0.05 C 0.05 D 0.01 C Shift Assignments>> C :: 176.60(D) CA :: 48.53(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.191(D) HA2 :: 4.600(D) HA3 :: 4.293(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.17(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S134 1.S134 C Shift Assignments>> C :: 176.26(D) CA :: 67.90(D) CB :: 69.32(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 :: 8.702(D) HA :: 4.575(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 :: 115.77(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.7 P 0.17 C 0.09 I 0.02 C Shift Assignments>> C :: 178.76(D) CA :: 66.88(D) CB :: 31.70(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 :: 7.498(D) HA :: 3.972(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 :: 123.52(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 F 0.19 C 0.15 Y 0.13 K 0.09 I 0.08 G 0.06 L 0.05 HN Overlap>> 1.E7 1.E7 1.E118 1.E118 C Shift Assignments>> C :: 179.65(D) CA :: 60.60(D) CB :: 42.96(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.916(D) HA :: 4.156(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.39(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 C 0.13 F 0.07 Y 0.06 C Shift Assignments>> C :: 177.09(D) CA :: 64.53(D) CB :: 40.17(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 :: 8.946(D) HA :: 4.643(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 :: 116.97(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.29 I 0.06 C 0.03 C Shift Assignments>> C :: 181.59(D) CA :: 55.77(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 :: 9.128(D) HA :: 4.431(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.59(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 H 0.13 Q 0.13 R 0.12 C 0.12 K 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 177.07(D) CA :: 57.14(D) CB :: 29.72(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 :: 8.085(D) HA :: 4.077(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 :: 119.58(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.L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.27 F 0.16 K 0.13 L 0.11 Y 0.11 C 0.1 G 0.03 I 0.03 D 0.01 C Shift Assignments>> C :: 178.89(D) CA :: 59.15(D) CB :: 42.92(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 :: 8.540(D) HA :: 3.912(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 :: 123.07(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.23 C 0.2 I 0.11 E 0.05 D 0.03 N 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 177.93(D) CA :: 57.73(D) CB :: 38.36(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 :: 8.224(D) HA :: 4.718(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 :: 113.33(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.6 M 0.34 C 0.02 I 0.01 C Shift Assignments>> C :: 180.33(D) CA :: 54.40(D) CB :: 18.61(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.698(D) HA :: 4.326(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.49(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.26 F 0.08 C 0.06 G 0.06 K 0.05 D 0.05 Y 0.05 HN Overlap>> 1.K119 1.K119 C Shift Assignments>> C :: 178.70(D) CA :: 56.91(D) CB :: 43.48(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 :: 8.173(D) HA :: 4.122(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 :: 118.37(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 M 0.16 R 0.15 C 0.13 W 0.1 Q 0.09 K 0.09 E 0.07 HN Overlap>> 1.S91 1.S91 C Shift Assignments>> C :: 172.41(D) CA :: 54.13(D) CB :: 31.15(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 :: 8.459(D) HA :: 4.281(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 :: 119.27(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.47 P 0.4 C 0.09 I 0.01 C Shift Assignments>> C :: 179.70(D) CA :: 65.17(D) CB :: 31.83(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.692(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.30(D) CA :: 60.24(D) CB :: 62.27(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.082(D) HA :: 4.141(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 :: 111.87(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.21 K 0.16 D 0.12 F 0.08 Y 0.05 C 0.05 G 0.01 C Shift Assignments>> C :: 178.20(D) CA :: 55.91(D) CB :: 42.61(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 :: 8.081(D) HA :: 4.061(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.47(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.27 I 0.25 C 0.15 L 0.01 HN Overlap>> 1.I72 1.I72 C Shift Assignments>> C :: 176.09(D) CA :: 59.98(D) CB :: 39.81(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.416(D) HA :: 4.113(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 :: 119.24(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.42 P 0.42 C 0.1 I 0.03 W 0.01 C Shift Assignments>> C :: 176.60(D) CA :: 65.00(D) CB :: 31.46(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.322(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.21 D 0.14 F 0.14 Y 0.1 C 0.06 R 0.06 N 0.01 I 0.01 C Shift Assignments>> C :: 177.20(D) CA :: 56.41(D) CB :: 41.71(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.239(D) HA :: 3.679(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.44(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.16 I 0.11 D 0.04 L 0.04 N 0.02 E 0.01 C Shift Assignments>> C :: 173.98(D) CA :: 57.82(D) CB :: 39.04(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 :: 7.452(D) HA :: 4.136(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 :: 117.15(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 C 0.13 Q 0.12 W 0.12 M 0.11 E 0.1 K 0.06 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 174.95(D) CA :: 54.51(D) CB :: 30.52(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 :: 7.594(D) HA :: 4.409(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 :: 120.80(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 D 0.12 L 0.11 C 0.11 I 0.05 K 0.04 N 0.02 C Shift Assignments>> C :: 176.32(D) CA :: 57.24(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 :: 7.792(D) HA :: 4.566(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 :: 120.71(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> N 0.41 C 0.15 Y 0.11 F 0.09 D 0.08 E 0.05 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.38(D) CA :: 54.19(D) CB :: 37.85(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>> HA :: 4.346(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) 1.G46 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 :: 173.92(D) CA :: 45.74(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.565(D) HA2 :: 3.992(D) HA3 :: 3.592(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.44(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.17 C 0.15 R 0.11 H 0.11 Q 0.09 W 0.07 E 0.05 HN Overlap>> 1.S58 1.S58 C Shift Assignments>> C :: 175.16(D) CA :: 55.25(D) CB :: 32.44(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 :: 7.610(D) HA :: 4.646(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 :: 119.88(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.Q48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 C 0.13 M 0.12 W 0.11 Q 0.11 E 0.09 K 0.07 C Shift Assignments>> C :: 176.48(D) CA :: 54.29(D) CB :: 30.76(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 :: 8.338(D) HA :: 4.315(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 :: 121.72(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 176.62(D) CA :: 57.53(D) CB :: 39.82(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 :: 9.414(D) HA :: 4.818(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 :: 122.95(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.22(D) CA :: 59.87(D) CB :: 64.09(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.615(D) HA :: 4.407(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.06(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.21(D) CA :: 56.33(D) CB :: 64.22(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.776(D) HA :: 4.869(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 :: 114.08(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.52 P 0.36 C 0.09 C Shift Assignments>> C :: 178.77(D) CA :: 65.28(D) CB :: 32.24(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.057(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 C 0.21 W 0.13 K 0.07 E 0.06 Q 0.04 H 0.04 R 0.04 P 0.03 V 0.01 C Shift Assignments>> C :: 178.87(D) CA :: 60.78(D) CB :: 28.54(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 :: 9.066(D) HA :: 3.971(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.33(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.19 F 0.15 Y 0.11 D 0.11 R 0.07 C 0.06 I 0.01 C Shift Assignments>> C :: 178.63(D) CA :: 56.95(D) CB :: 41.78(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) H Shift Assignments>> H :: 7.753(D) HA :: 4.397(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.76(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.76(D) CA :: 61.80(D) CB :: 62.50(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.232(D) HA :: 2.591(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.55(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.19 L 0.18 K 0.17 Y 0.15 D 0.14 C 0.08 I 0.02 N 0.02 R 0.01 C Shift Assignments>> C :: 176.58(D) CA :: 56.78(D) CB :: 41.15(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.341(D) HA :: 4.330(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 :: 118.41(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.53(D) CA :: 57.59(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 :: 7.348(D) HA :: 4.704(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 :: 110.07(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 173.58(D) CA :: 55.32(D) CB :: 64.41(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.569(D) HA :: 5.043(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.80(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.51 P 0.37 C 0.09 I 0.01 C Shift Assignments>> C :: 179.58(D) CA :: 65.34(D) CB :: 32.05(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.256(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 C 0.21 W 0.13 K 0.08 E 0.07 Q 0.06 R 0.05 H 0.05 P 0.02 V 0.01 C Shift Assignments>> C :: 179.38(D) CA :: 60.40(D) CB :: 28.46(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 :: 8.812(D) HA :: 3.913(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 :: 117.98(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F61 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 :: 178.24(D) CA :: 61.12(D) CB :: 39.64(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 :: 8.072(D) HA :: 4.540(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.03(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 C 0.12 I 0.1 K 0.07 L 0.07 D 0.04 C Shift Assignments>> C :: 179.68(D) CA :: 58.75(D) CB :: 40.68(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 :: 8.625(D) HA :: 4.105(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 :: 119.93(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.2 L 0.14 K 0.11 D 0.11 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 178.08(D) CA :: 57.39(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 :: 7.668(D) HA :: 4.331(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.35(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 I 0.22 W 0.15 E 0.07 K 0.06 R 0.05 V 0.05 H 0.05 Q 0.04 P 0.01 C Shift Assignments>> C :: 176.60(D) CA :: 60.93(D) CB :: 29.37(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 :: 7.387(D) HA :: 3.489(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 :: 120.35(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.15 V 0.04 C Shift Assignments>> C :: 178.33(D) CA :: 67.06(D) CB :: 37.68(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 :: 8.437(D) HA :: 3.777(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 :: 118.89(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 E 0.11 I 0.09 R 0.08 H 0.07 V 0.06 Q 0.06 K 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 178.82(D) CA :: 60.22(D) CB :: 30.01(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 :: 7.831(D) HA :: 3.675(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.82(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.K67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.14 V 0.11 R 0.1 E 0.09 K 0.08 H 0.08 M 0.06 Q 0.04 I 0.01 P 0.01 C Shift Assignments>> C :: 178.80(D) CA :: 59.59(D) CB :: 31.41(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 :: 7.210(D) HA :: 3.304(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.81(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> V 0.79 P 0.09 C 0.09 I 0.01 C Shift Assignments>> C :: 178.48(D) CA :: 67.52(D) CB :: 31.79(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 :: 7.448(D) HA :: 1.516(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.96(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 H 0.14 W 0.14 R 0.14 C 0.13 Q 0.12 K 0.07 M 0.06 I 0.01 C Shift Assignments>> C :: 179.97(D) CA :: 57.08(D) CB :: 30.24(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 :: 8.351(D) HA :: 4.577(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 :: 115.90(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.17 L 0.16 Y 0.13 R 0.08 D 0.07 C 0.07 I 0.02 HN Overlap>> 1.Q43 1.Q43 C Shift Assignments>> C :: 180.13(D) CA :: 57.60(D) CB :: 41.84(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.594(D) HA :: 4.151(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.91(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 I 0.17 P 0.15 C 0.14 C Shift Assignments>> C :: 177.62(D) CA :: 66.56(D) CB :: 30.35(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 :: 7.196(D) HA :: 3.411(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 :: 122.91(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 V 0.35 C 0.23 Y 0.01 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 177.35(D) CA :: 65.37(D) CB :: 35.84(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 :: 7.514(D) HA :: 3.243(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 :: 119.28(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.19 F 0.1 G 0.09 C 0.08 Y 0.06 K 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 178.14(D) CA :: 58.12(D) CB :: 43.59(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 :: 8.287(D) HA :: 3.995(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.57(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.27 I 0.04 C 0.01 C Shift Assignments>> C :: 180.25(D) CA :: 55.19(D) CB :: 17.33(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.764(D) HA :: 3.973(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.59(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.75 A 0.18 I 0.03 C 0.01 HN Overlap>> 1.R135 1.R135 C Shift Assignments>> C :: 177.48(D) CA :: 55.24(D) CB :: 16.44(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.995(D) HA :: 3.619(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.70(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.63 P 0.17 C 0.11 I 0.06 C Shift Assignments>> C :: 180.02(D) CA :: 66.82(D) CB :: 31.01(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 :: 7.903(D) HA :: 2.912(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 :: 116.35(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.29(D) CA :: 66.55(D) CB :: 68.94(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 :: 8.511(D) HA :: 3.785(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 :: 116.84(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.23 F 0.09 Y 0.09 C 0.08 L 0.07 C Shift Assignments>> C :: 175.10(D) CA :: 53.76(D) CB :: 39.26(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 :: 7.400(D) HA :: 4.800(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 :: 117.66(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.35 C 0.11 I 0.05 W 0.01 HN Overlap>> 1.V16 1.V16 C Shift Assignments>> C :: 174.91(D) CA :: 65.46(D) CB :: 31.06(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 :: 6.907(D) HA :: 3.609(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 :: 120.46(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.14 Q 0.12 H 0.11 K 0.11 R 0.11 I 0.03 M 0.03 V 0.01 C Shift Assignments>> C :: 177.15(D) CA :: 58.14(D) CB :: 29.56(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 :: 8.116(D) HA :: 4.124(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 :: 117.41(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 N 0.22 L 0.15 F 0.11 Y 0.09 C 0.07 K 0.02 C Shift Assignments>> C :: 176.08(D) CA :: 54.16(D) CB :: 40.22(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 :: 7.933(D) HA :: 4.663(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 :: 116.80(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.21 F 0.12 D 0.11 R 0.11 Y 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 179.55(D) CA :: 56.64(D) CB :: 42.08(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.930(D) HA :: 4.045(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 :: 127.53(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.44(D) CA :: 62.35(D) CB :: 62.35(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.481(D) HA :: 4.197(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.39(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.42(D) CA :: 60.86(D) CB :: 63.09(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.933(D) HA :: 4.313(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.60(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.24 G 0.16 D 0.11 C 0.04 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 176.97(D) CA :: 54.10(D) CB :: 43.84(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.854(D) HA :: 4.688(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.81(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.17 I 0.14 W 0.13 P 0.11 E 0.04 R 0.04 H 0.03 Q 0.02 K 0.02 C Shift Assignments>> C :: 178.48(D) CA :: 61.75(D) CB :: 30.29(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.546(D) HA :: 3.823(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 :: 121.29(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 I 0.2 W 0.15 K 0.09 E 0.09 H 0.06 Q 0.06 R 0.06 V 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 179.42(D) CA :: 60.39(D) CB :: 29.05(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 :: 8.924(D) HA :: 4.194(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 :: 120.69(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 C 0.19 Y 0.17 F 0.13 E 0.01 C Shift Assignments>> C :: 178.61(D) CA :: 61.53(D) CB :: 38.24(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 :: 8.566(D) HA :: 4.362(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 :: 122.20(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.19 Y 0.14 L 0.14 C 0.08 R 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 180.16(D) CA :: 58.17(D) CB :: 41.89(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.009(D) HA :: 4.136(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 :: 119.21(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.46(D) CA :: 68.40(D) CB :: 68.70(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 :: 9.058(D) HA :: 4.539(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 :: 119.46(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 178.22(D) CA :: 62.84(D) CB :: 62.84(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.372(D) HA :: 4.606(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.23(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 L 0.14 F 0.13 C 0.1 G 0.08 Y 0.08 K 0.06 D 0.01 I 0.01 C Shift Assignments>> C :: 184.66(S) CA :: 58.80(D) CB :: 43.47(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 :: 9.144(D) HA :: 5.545(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 :: 125.47(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G93 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Duplicate PRTL>> P 0.7 A 0.13 N 0.07 D 0.02 C 0.01 L 0.01 C Shift Assignments>> C :: 176.14(D) CA :: 50.42(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.410(D) HA2 :: 6.247(S) HA3 :: 6.118(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.16(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 W 0.15 V 0.14 I 0.12 E 0.06 P 0.06 R 0.06 H 0.05 Q 0.03 K 0.02 M 0.01 C Shift Assignments>> C :: 180.52(D) CA :: 61.24(D) CB :: 30.26(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 :: 9.412(D) HA :: 4.591(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 :: 124.44(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.K95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 V 0.31 K 0.08 Q 0.06 M 0.04 W 0.04 P 0.03 R 0.02 H 0.02 I 0.01 E 0.01 C Shift Assignments>> C :: 180.67(D) CA :: 60.71(D) CB :: 33.54(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.121(D) HA :: 5.094(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 :: 120.69(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H96 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.8 C 0.16 V 0.02 C Shift Assignments>> C :: 178.16(D) CA :: 70.19(A) CB :: 27.04(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 :: 10.859(S) HA :: 6.896(S) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.75(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 I 0.17 W 0.15 K 0.1 E 0.09 Q 0.07 H 0.07 R 0.06 V 0.02 M 0.01 C Shift Assignments>> C :: 180.67(D) CA :: 60.07(D) CB :: 28.99(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 :: 9.215(D) HA :: 4.068(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 :: 124.16(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.A98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.45 A 0.44 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 179.61(D) CA :: 55.38(D) CB :: 18.77(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.392(D) HA :: 4.395(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.07(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 P 0.25 C 0.21 W 0.06 R 0.02 K 0.02 I 0.02 E 0.02 H 0.01 M 0.01 C Shift Assignments>> C :: 175.70(D) CA :: 61.91(D) CB :: 31.75(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 :: 7.830(D) HA :: 4.481(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 :: 111.53(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.70(D) CA :: 45.32(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.604(D) HA2 :: 4.108(D) HA3 :: 3.624(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.84(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.33 V 0.28 C 0.18 I 0.08 W 0.05 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 174.96(D) CA :: 62.94(D) CB :: 30.80(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 :: 7.325(D) HA :: 2.773(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 :: 120.75(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 M 0.15 C 0.13 W 0.1 Q 0.09 K 0.08 E 0.08 C Shift Assignments>> C :: 176.75(D) CA :: 54.27(D) CB :: 31.10(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 :: 8.769(D) HA :: 4.412(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 :: 127.83(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.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.18 F 0.16 Y 0.11 D 0.09 R 0.08 C 0.07 I 0.01 C Shift Assignments>> C :: 180.22(D) CA :: 57.20(D) CB :: 41.86(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 :: 8.233(D) HA :: 3.206(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.90(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.76(D) CA :: 60.35(D) CB :: 61.99(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.936(D) HA :: 3.932(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.29(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.88(D) CA :: 60.79(D) CB :: 62.10(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.305(D) HA :: 4.258(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.28(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.58 C 0.2 Y 0.1 F 0.07 V 0.01 E 0.01 C Shift Assignments>> C :: 180.77(D) CA :: 62.69(D) CB :: 37.67(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 :: 7.478(D) HA :: 3.291(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.52(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.14(D) CA :: 61.91(D) CB :: 61.91(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.911(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) 1.T108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 178.12(D) CA :: 65.06(D) CB :: 67.65(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 :: 7.040(D) HA :: 3.805(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 :: 119.12(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.6 I 0.14 C 0.13 P 0.1 C Shift Assignments>> C :: 177.20(D) CA :: 67.19(D) CB :: 30.50(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 :: 7.168(D) HA :: 3.349(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 :: 122.78(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.42 P 0.27 A 0.11 C 0.09 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 175.57(D) CA :: 48.11(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.422(D) HA2 :: 3.463(D) HA3 :: 2.429(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.51(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.12 K 0.11 I 0.09 H 0.09 Q 0.09 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 180.29(D) CA :: 59.41(D) CB :: 29.34(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 :: 7.858(D) HA :: 3.952(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 :: 119.67(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.24(D) CA :: 63.02(D) CB :: 63.02(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.813(D) HA :: 4.128(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.31(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.2 Y 0.14 L 0.11 R 0.1 C 0.09 I 0.04 D 0.03 C Shift Assignments>> C :: 177.96(D) CA :: 58.73(D) CB :: 42.06(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 :: 8.578(D) HA :: 4.039(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 :: 125.42(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.24 C 0.11 K 0.1 L 0.09 I 0.08 D 0.05 C Shift Assignments>> C :: 178.90(D) CA :: 58.50(D) CB :: 40.85(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.006(D) HA :: 3.881(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.28(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 Y 0.16 C 0.16 F 0.15 C Shift Assignments>> C :: 176.63(D) CA :: 61.80(D) CB :: 38.81(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 :: 8.143(D) HA :: 4.123(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 :: 121.18(D) Ave N Shift Values>> N :: 120.52(4.2) 1.M116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.12 V 0.12 K 0.11 R 0.1 E 0.08 H 0.08 M 0.07 Q 0.03 C Shift Assignments>> C :: 179.05(D) CA :: 59.40(D) CB :: 31.88(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 :: 8.309(D) HA :: 3.792(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 :: 119.82(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.16 L 0.16 R 0.12 Y 0.12 C 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 177.53(D) CA :: 57.88(D) CB :: 42.13(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.963(D) HA :: 3.460(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.66(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 I 0.13 E 0.11 K 0.09 H 0.08 R 0.07 Q 0.07 V 0.02 M 0.01 HN Overlap>> 1.E7 1.L27 1.E7 1.L27 C Shift Assignments>> C :: 179.83(D) CA :: 59.92(D) CB :: 29.32(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 :: 7.955(D) HA :: 3.253(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 :: 121.35(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 W 0.12 H 0.12 K 0.11 M 0.11 E 0.11 Q 0.06 V 0.02 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> C :: 178.82(D) CA :: 57.61(D) CB :: 31.46(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.095(D) HA :: 3.885(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.35(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.27(D) CA :: 60.52(D) CB :: 63.56(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.729(D) HA :: 4.238(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.47(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 G 0.25 R 0.22 C 0.06 D 0.05 F 0.04 Y 0.02 C Shift Assignments>> C :: 179.32(D) CA :: 55.71(D) CB :: 44.31(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 :: 8.126(D) HA :: 4.415(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 :: 118.80(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G122 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 :: 174.95(D) CA :: 45.62(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.197(D) HA2 :: 4.196(D) HA3 :: 3.786(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.97(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.44 V 0.41 C 0.1 I 0.01 W 0.01 C Shift Assignments>> C :: 177.28(D) CA :: 64.29(D) CB :: 32.03(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.461(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.17 F 0.17 Y 0.14 N 0.08 C 0.08 K 0.05 I 0.01 C Shift Assignments>> C :: 176.87(D) CA :: 55.60(D) CB :: 40.49(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 :: 7.617(D) HA :: 4.796(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 :: 116.28(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 C 0.23 Y 0.16 F 0.1 M 0.07 N 0.06 I 0.04 K 0.02 D 0.01 C Shift Assignments>> C :: 173.80(D) CA :: 56.41(D) CB :: 36.97(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 :: 8.482(D) HA :: 4.816(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 :: 125.68(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.12(D) CA :: 60.23(D) CB :: 68.81(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 :: 7.257(D) HA :: 4.618(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 :: 114.29(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.6 P 0.26 C 0.09 I 0.02 C Shift Assignments>> C :: 179.07(D) CA :: 66.28(D) CB :: 31.58(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.137(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.46 A 0.45 C 0.03 I 0.03 HN Overlap>> 1.W133 1.W133 C Shift Assignments>> C :: 180.77(D) CA :: 55.22(D) CB :: 18.61(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.283(D) HA :: 4.109(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.32(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.49(D) CA :: 68.00(D) CB :: 68.00(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 :: 7.821(D) HA :: 3.793(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 :: 119.26(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.17 I 0.11 E 0.1 R 0.08 H 0.07 K 0.07 Q 0.06 V 0.05 M 0.01 HN Overlap>> 1.R135 1.R135 C Shift Assignments>> C :: 178.72(D) CA :: 60.20(D) CB :: 29.74(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 :: 8.089(D) HA :: 3.695(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.77(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.T131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.21(D) CA :: 66.92(D) CB :: 68.84(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 :: 8.527(D) HA :: 3.841(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 :: 117.61(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.27 I 0.07 C 0.03 C Shift Assignments>> C :: 179.92(D) CA :: 55.87(D) CB :: 18.15(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.925(D) HA :: 4.016(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.39(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 C 0.25 W 0.11 V 0.1 P 0.05 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 HN Overlap>> 1.A128 1.A128 C Shift Assignments>> C :: 178.95(D) CA :: 62.24(D) CB :: 29.44(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 :: 8.362(D) HA :: 4.038(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 :: 118.35(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.T25 1.T25 C Shift Assignments>> C :: 177.70(D) CA :: 62.78(D) CB :: 62.78(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.684(D) HA :: 4.335(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.87(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.12 R 0.09 H 0.09 I 0.08 K 0.08 Q 0.07 V 0.03 M 0.02 HN Overlap>> 1.R130 1.R130 1.A75 1.A75 C Shift Assignments>> C :: 178.91(D) CA :: 59.72(D) CB :: 29.76(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.077(D) HA :: 4.086(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.71(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.L136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 K 0.22 Y 0.18 L 0.11 C 0.09 I 0.05 D 0.05 R 0.04 C Shift Assignments>> C :: 178.13(D) CA :: 58.44(D) CB :: 41.53(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 :: 8.081(D) HA :: 3.984(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 :: 122.34(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.17 Y 0.09 F 0.08 C Shift Assignments>> C :: 177.00(D) CA :: 62.99(D) CB :: 38.21(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 :: 9.114(D) HA :: 3.823(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.58(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.97(D) CA :: 47.28(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.204(D) HA2 :: 3.768(D) HA3 :: 3.464(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.64(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.37 I 0.04 C 0.02 C Shift Assignments>> C :: 180.84(D) CA :: 55.28(D) CB :: 18.20(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.731(D) HA :: 3.994(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.35(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.63 P 0.19 C 0.11 I 0.05 C Shift Assignments>> C :: 177.80(D) CA :: 66.71(D) CB :: 31.15(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 :: 7.826(D) HA :: 3.384(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 :: 121.84(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.21 C 0.12 I 0.08 C Shift Assignments>> C :: 179.18(D) CA :: 66.49(D) CB :: 30.87 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 :: 8.237(D) HA :: 2.641(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 :: 119.64(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 I 0.17 W 0.13 K 0.1 R 0.09 Q 0.09 E 0.08 H 0.07 L 0.02 C Shift Assignments>> C :: 178.50(D) CA :: 59.47(D) CB :: 28.24(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 :: 8.203(D) HA :: 3.726(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 :: 121.58(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.54 M 0.28 C 0.07 L 0.03 V 0.02 I 0.02 C Shift Assignments>> C :: 180.47(D) CA :: 55.38(D) CB :: 19.63(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.334(D) HA :: 4.222(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.17(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 V 0.17 K 0.08 E 0.08 Q 0.07 M 0.06 I 0.05 Y 0.03 W 0.01 R 0.01 H 0.01 F 0.01 C Shift Assignments>> C :: 180.68(D) CA :: 60.15(D) CB :: 34.66(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 :: 8.607(D) HA :: 4.735(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 :: 116.32(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.60(D) CA :: 62.69(D) CB :: 62.69(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.927(D) HA :: 4.620(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 :: 114.15(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.17 E 0.14 R 0.12 H 0.11 Q 0.09 K 0.06 M 0.04 I 0.03 V 0.03 C Shift Assignments>> C :: 179.46(D) CA :: 58.91(D) CB :: 30.23(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 :: 7.688(D) HA :: 4.506(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.57(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.G147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 173.71(D) CA :: 47.00(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.191(D) HA2 :: 4.495(D) HA3 :: 4.327(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.99(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.16 V 0.12 E 0.09 R 0.09 H 0.07 K 0.05 Q 0.04 I 0.04 M 0.03 P 0.02 C Shift Assignments>> C :: 176.28(D) CA :: 60.22(D) CB :: 30.94(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 :: 8.436(D) HA :: 4.699(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 :: 122.00(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 D 0.24 K 0.18 F 0.1 Y 0.07 C 0.05 R 0.04 N 0.04 C Shift Assignments>> C :: 176.85(D) CA :: 55.12(D) CB :: 41.60(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 :: 7.886(D) HA :: 4.868(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 :: 120.20(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G150 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 :: 173.59(D) CA :: 45.61(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.446(D) HA2 :: 4.196(D) HA3 :: 4.405(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.42(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 R 0.13 E 0.12 H 0.11 K 0.09 M 0.08 Q 0.06 V 0.04 C Shift Assignments>> C :: 181.68(D) CA :: 58.45(D) CB :: 31.26(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 :: 8.172(D) HA :: 4.221(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 :: 126.03(D) Ave N Shift Values>> N :: 120.67(3.48) 2.CYN1 Overall Status: Residue type CYN not supported. ########################################################################### Overall Results: #Consistent: 5 #Clerical: 140 #Suspicious: 4 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 143 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 421 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 0 #Duplicate: 283 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 136 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R3 H = 8.837(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.2773e-01 1.R3 N = 122.82(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.8307e-01 1.E5 C = 178.03(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.5193e-01 1.E5 CA = 59.55(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8598e-01 1.E5 CB = 29.43(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3596e-01 1.E5 HA = 3.932(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.3798e-01 1.S6 C = 176.41(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.9802e-01 1.S6 CA = 61.98(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.1528e-01 1.S6 CB = 61.98(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.1880e-01 1.S6 H = 8.184(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7075e-01 1.S6 HA = 3.790(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.4528e-02 1.S6 N = 116.62(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2305e-01 1.E7 C = 178.90(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.9786e-01 1.E7 CA = 58.93(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4110e-01 1.E7 CB = 29.47(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.5356e-01 1.E7 H = 7.963(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.3392e-01 1.E7 HA = 4.163(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.3195e-01 1.E7 N = 121.44(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2489e-01 1.L8 C = 181.98(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1729e-02 1.L8 CA = 57.62(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4775e-01 1.L8 CB = 41.50(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6658e-01 1.L8 H = 7.481(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4919e-01 1.L8 HA = 4.191(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.8372e-01 1.L8 N = 118.28(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5865e-01 1.I9 C = 177.20(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8198e-01 1.I9 CA = 64.04(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6456e-01 1.I9 CB = 36.89(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.8903e-01 1.I9 H = 7.768(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.5149e-01 1.I9 HA = 3.412(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.7024e-01 1.I9 N = 121.69(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5714e-01 1.R10 C = 180.00(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.6982e-02 1.R10 CA = 61.19(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.5694e-02 1.R10 CB = 30.72(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9128e-01 1.R10 H = 8.329(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8400e-01 1.R10 HA = 3.878(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.5894e-01 1.R10 N = 118.98(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.2091e-01 1.Q11 C = 178.83(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.9625e-01 1.Q11 CA = 59.10(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3711e-01 1.Q11 CB = 28.49(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0052e-01 1.Q11 H = 8.682(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.3360e-01 1.Q11 HA = 4.145(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.7634e-01 1.Q11 N = 116.65(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.6812e-01 1.S12 C = 176.77(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.1130e-01 1.S12 CA = 60.82(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1035e-01 1.S12 CB = 64.21(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8176e-01 1.S12 H = 7.841(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.5684e-01 1.S12 HA = 4.516(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.2829e-01 1.S12 N = 113.35(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.0519e-01 1.W13 C = 177.75(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.1740e-01 1.W13 CA = 58.69(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.8973e-01 1.W13 CB = 31.50(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.5852e-01 1.W13 H = 9.051(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.3540e-01 1.W13 HA = 4.830(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.7716e-01 1.W13 N = 123.43(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.7546e-01 1.R14 C = 178.37(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.3429e-01 1.R14 CA = 59.64(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1408e-01 1.R14 CB = 30.10(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.4301e-01 1.R14 H = 7.857(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.3009e-01 1.R14 HA = 3.910(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.9654e-01 1.R14 N = 118.03(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.5162e-01 1.V15 C = 178.58(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.1926e-01 1.V15 CA = 66.18(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9698e-01 1.V15 CB = 32.02(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.9163e-01 1.V15 H = 7.048(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3778e-02 1.V15 HA = 3.572(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.8664e-01 1.V15 N = 116.76(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3467e-01 1.V16 C = 178.01(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.0843e-01 1.V16 CA = 64.65(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.5010e-01 1.V16 CB = 31.49(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.8847e-01 1.V16 H = 6.843(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.0796e-02 1.V16 HA = 2.790(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.5787e-02 1.V16 N = 120.38(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6705e-01 1.S17 C = 174.42(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0743e-01 1.S17 CA = 60.52(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.8454e-01 1.S17 CB = 62.72(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.6556e-01 1.S17 H = 8.065(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1555e-01 1.S17 HA = 3.388(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.3334e-03 1.S17 N = 111.74(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9713e-01 1.R18 C = 177.74(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.1236e-01 1.R18 CA = 58.30(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.0775e-01 1.R18 CB = 30.79(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6078e-01 1.R18 H = 6.946(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.3896e-02 1.R18 HA = 4.186(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.0427e-01 1.R18 N = 119.65(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.5466e-01 1.S19 CA = 55.24(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2732e-02 1.S19 CB = 62.85(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2094e-01 1.S19 H = 7.541(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.1037e-01 1.S19 HA = 4.849(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.5627e-01 1.S19 N = 110.11(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.9629e-02 1.E22 C = 180.02(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0623e-01 1.E22 CA = 60.17(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.7268e-01 1.E22 CB = 29.08(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.8872e-01 1.E22 HA = 4.055(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.3435e-01 1.H23 C = 178.32(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.1914e-01 1.H23 CA = 60.55(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.1057e-02 1.H23 CB = 30.06(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.3071e-01 1.H23 H = 7.670(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.0190e-01 1.H23 HA = 4.597(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.7588e-01 1.H23 N = 117.85(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.4552e-01 1.G24 C = 176.60(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.4647e-01 1.G24 CA = 48.53(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.7638e-02 1.G24 H = 9.191(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.8530e-01 1.G24 HA2 = 4.600(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.8624e-02 1.G24 HA3 = 4.293(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.8816e-01 1.G24 N = 110.17(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9720e-01 1.T25 C = 176.26(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.2843e-01 1.T25 CA = 67.90(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8304e-02 1.T25 CB = 69.32(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0140e-01 1.T25 H = 8.702(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5617e-01 1.T25 HA = 4.575(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.1065e-01 1.T25 N = 115.77(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.4126e-01 1.V26 C = 178.76(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.8406e-02 1.V26 CA = 66.88(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2479e-01 1.V26 CB = 31.70(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6501e-01 1.V26 H = 7.498(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3717e-01 1.V26 HA = 3.972(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.0702e-01 1.V26 N = 123.52(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0012e-01 1.L27 C = 179.65(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.7913e-01 1.L27 CA = 60.60(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9386e-02 1.L27 CB = 42.96(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2953e-01 1.L27 H = 7.916(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.2904e-01 1.L27 HA = 4.156(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.2714e-01 1.L27 N = 121.39(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0408e-01 1.F28 C = 177.09(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.0136e-01 1.F28 CA = 64.53(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.2082e-02 1.F28 CB = 40.17(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.3137e-01 1.F28 H = 8.946(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1571e-01 1.F28 HA = 4.643(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.8180e-01 1.F28 N = 116.97(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.0511e-01 1.A29 C = 181.59(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0683e-02 1.A29 CA = 55.77(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8408e-01 1.A29 CB = 18.18(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5015e-01 1.A29 H = 9.128(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2194e-01 1.A29 HA = 4.431(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.9754e-01 1.A29 N = 121.59(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4317e-01 1.R30 C = 177.07(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.4509e-01 1.R30 CA = 57.14(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.7274e-01 1.R30 CB = 29.72(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.9229e-01 1.R30 H = 8.085(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.9942e-01 1.R30 HA = 4.077(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.2783e-01 1.R30 N = 119.58(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.4025e-01 1.L31 C = 178.89(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3726e-01 1.L31 CA = 59.15(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7463e-02 1.L31 CB = 42.92(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4558e-01 1.L31 H = 8.540(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3342e-01 1.L31 HA = 3.912(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.8535e-01 1.L31 N = 123.07(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5637e-01 1.F32 C = 177.93(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.0720e-01 1.F32 CA = 57.73(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.9167e-01 1.F32 CB = 38.36(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.3545e-01 1.F32 H = 8.224(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.5018e-01 1.F32 HA = 4.718(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.7731e-01 1.F32 N = 113.33(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8503e-02 1.A33 C = 180.33(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.2400e-01 1.A33 CA = 54.40(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2454e-01 1.A33 CB = 18.61(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2698e-01 1.A33 H = 7.698(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0278e-01 1.A33 HA = 4.326(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.8076e-01 1.A33 N = 121.49(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2305e-01 1.L34 C = 178.70(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.8779e-01 1.L34 CA = 56.91(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4476e-01 1.L34 CB = 43.48(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3372e-01 1.L34 H = 8.173(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3012e-01 1.L34 HA = 4.122(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7355e-01 1.L34 N = 118.37(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7086e-01 1.E35 C = 172.41(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.2185e-02 1.E35 CA = 54.13(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2693e-01 1.E35 CB = 31.15(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.0746e-01 1.E35 H = 8.459(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2693e-01 1.E35 HA = 4.281(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.3973e-01 1.E35 N = 119.27(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8746e-01 1.P36 C = 179.70(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.0744e-02 1.P36 CA = 65.17(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.2608e-01 1.P36 CB = 31.83(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8648e-01 1.P36 HA = 4.692(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.7624e-01 1.S37 C = 175.30(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.9259e-01 1.S37 CA = 60.24(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6277e-01 1.S37 CB = 62.27(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.0124e-01 1.S37 H = 8.082(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3718e-01 1.S37 HA = 4.141(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.9672e-01 1.S37 N = 111.87(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.1026e-01 1.L38 C = 178.20(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.4113e-01 1.L38 CA = 55.91(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9170e-01 1.L38 CB = 42.61(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7322e-01 1.L38 H = 8.081(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1869e-01 1.L38 HA = 4.061(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.8159e-01 1.L38 N = 120.47(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2153e-01 1.L39 C = 176.09(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4944e-01 1.L39 CA = 59.98(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0663e-02 1.L39 CB = 39.81(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.8359e-01 1.L39 H = 7.416(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1046e-01 1.L39 HA = 4.113(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.5963e-01 1.L39 N = 119.24(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0171e-01 1.P40 C = 176.60(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.2087e-01 1.P40 CA = 65.00(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7191e-01 1.P40 CB = 31.46(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.4102e-01 1.P40 HA = 4.322(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.1315e-01 1.L41 C = 177.20(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1553e-01 1.L41 CA = 56.41(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.1072e-01 1.L41 CB = 41.71(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4961e-01 1.L41 H = 7.239(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2735e-01 1.L41 HA = 3.679(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.7262e-01 1.L41 N = 114.44(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7098e-02 1.F42 C = 173.98(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.6930e-01 1.F42 CA = 57.82(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1942e-01 1.F42 CB = 39.04(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.4944e-01 1.F42 H = 7.452(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.0727e-01 1.F42 HA = 4.136(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.8612e-01 1.F42 N = 117.15(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.2984e-01 1.Q43 C = 174.95(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.8553e-01 1.Q43 CA = 54.51(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.3574e-01 1.Q43 CB = 30.52(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.6492e-01 1.Q43 H = 7.594(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.8868e-01 1.Q43 HA = 4.409(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.5207e-01 1.Q43 N = 120.80(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0044e-01 1.Y44 C = 176.32(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.4386e-01 1.Y44 CA = 57.24(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.2290e-01 1.Y44 CB = 40.27(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.6007e-01 1.Y44 H = 7.792(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.6950e-01 1.Y44 HA = 4.566(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.0901e-01 1.Y44 N = 120.71(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6392e-01 1.N45 C = 175.38(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.5100e-01 1.N45 CA = 54.19(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.2953e-01 1.N45 CB = 37.85(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.1916e-01 1.N45 HA = 4.346(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.6812e-01 1.G46 C = 173.92(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7878e-01 1.G46 CA = 45.74(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7102e-01 1.G46 H = 8.565(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1770e-01 1.G46 HA2 = 3.992(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5259e-01 1.G46 HA3 = 3.592(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.0517e-01 1.G46 N = 104.44(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7656e-01 1.R47 C = 175.16(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.3805e-01 1.R47 CA = 55.25(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.1053e-01 1.R47 CB = 32.44(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.4170e-01 1.R47 H = 7.610(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0170e-01 1.R47 HA = 4.646(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.5195e-01 1.R47 N = 119.88(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0259e-01 1.Q48 C = 176.48(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.3053e-01 1.Q48 CA = 54.29(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.8669e-01 1.Q48 CB = 30.76(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.8834e-01 1.Q48 H = 8.338(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4148e-01 1.Q48 HA = 4.315(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.1854e-01 1.Q48 N = 121.72(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1122e-01 1.F49 C = 176.62(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.4650e-01 1.F49 CA = 57.53(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.3054e-01 1.F49 CB = 39.82(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.3517e-01 1.F49 H = 9.414(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.4322e-01 1.F49 HA = 4.818(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.4153e-01 1.F49 N = 122.95(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4978e-01 1.S50 C = 174.22(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.1610e-01 1.S50 CA = 59.87(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.7851e-01 1.S50 CB = 64.09(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4465e-01 1.S50 H = 9.615(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.3653e-02 1.S50 HA = 4.407(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.5519e-01 1.S50 N = 117.06(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2463e-01 1.S51 C = 173.21(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.1235e-01 1.S51 CA = 56.33(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.4826e-01 1.S51 CB = 64.22(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7658e-01 1.S51 H = 7.776(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.9297e-01 1.S51 HA = 4.869(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.3080e-01 1.S51 N = 114.08(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3197e-01 1.P52 C = 178.77(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.8098e-01 1.P52 CA = 65.28(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.9953e-01 1.P52 CB = 32.24(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.4102e-01 1.P52 HA = 4.057(D), Expected = 4.40, Std = 0.3300, ChiSquare = 2.9862e-01 1.E53 C = 178.87(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0506e-01 1.E53 CA = 60.78(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.7823e-02 1.E53 CB = 28.54(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9274e-01 1.E53 H = 9.066(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1223e-01 1.E53 HA = 3.971(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.9620e-01 1.E53 N = 118.33(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.0132e-01 1.D54 C = 178.63(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.0256e-01 1.D54 CA = 56.95(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6558e-01 1.D54 CB = 41.78(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.7851e-01 1.D54 H = 7.753(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.3688e-01 1.D54 HA = 4.397(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.4643e-01 1.D54 N = 119.76(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.1765e-01 1.S55 C = 175.76(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.0746e-01 1.S55 CA = 61.80(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3677e-01 1.S55 CB = 62.50(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.7974e-01 1.S55 H = 7.232(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.5688e-02 1.S55 HA = 2.591(S), Expected = 4.48, Std = 0.4000, ChiSquare = 2.3296e-06 1.S55 N = 115.55(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3571e-01 1.L56 C = 176.58(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3595e-01 1.L56 CA = 56.78(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8603e-01 1.L56 CB = 41.15(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3722e-01 1.L56 H = 7.341(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.7141e-01 1.L56 HA = 4.330(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.8303e-01 1.L56 N = 118.41(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7636e-01 1.S57 C = 174.53(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.5827e-01 1.S57 CA = 57.59(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.8514e-01 1.S57 CB = 64.57(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0288e-01 1.S57 H = 7.348(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.1418e-01 1.S57 HA = 4.704(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.7548e-01 1.S57 N = 110.07(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7698e-02 1.S58 C = 173.58(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.4541e-01 1.S58 CA = 55.32(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0048e-01 1.S58 CB = 64.41(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.8022e-01 1.S58 H = 7.569(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2817e-01 1.S58 HA = 5.043(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.5928e-01 1.S58 N = 119.80(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1731e-01 1.P59 C = 179.58(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.0907e-02 1.P59 CA = 65.34(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.8605e-01 1.P59 CB = 32.05(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6541e-01 1.P59 HA = 4.256(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.6257e-01 1.E60 C = 179.38(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.9803e-01 1.E60 CA = 60.40(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4057e-01 1.E60 CB = 28.46(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.6750e-01 1.E60 H = 8.812(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1396e-01 1.E60 HA = 3.913(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.1110e-01 1.E60 N = 117.98(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3953e-01 1.F61 C = 178.24(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.5646e-01 1.F61 CA = 61.12(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.3686e-01 1.F61 CB = 39.64(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.6701e-01 1.F61 H = 8.072(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.8916e-01 1.F61 HA = 4.540(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.7454e-01 1.F61 N = 123.03(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3709e-01 1.L62 C = 179.68(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.7428e-01 1.L62 CA = 58.75(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4170e-01 1.L62 CB = 40.68(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.8593e-01 1.L62 H = 8.625(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4339e-01 1.L62 HA = 4.105(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.4735e-01 1.L62 N = 119.93(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2069e-01 1.D63 C = 178.08(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.3706e-01 1.D63 CA = 57.39(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8350e-01 1.D63 CB = 40.83(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.7538e-01 1.D63 H = 7.668(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.6834e-01 1.D63 HA = 4.331(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.1830e-01 1.D63 N = 118.35(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5127e-01 1.H64 C = 176.60(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.9317e-01 1.H64 CA = 60.93(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.6250e-02 1.H64 CB = 29.37(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.7427e-01 1.H64 H = 7.387(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.0969e-01 1.H64 HA = 3.489(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.1346e-03 1.H64 N = 120.35(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.6894e-01 1.I65 C = 178.33(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.9647e-01 1.I65 CA = 67.06(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1994e-02 1.I65 CB = 37.68(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.3814e-01 1.I65 H = 8.437(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.1741e-01 1.I65 HA = 3.777(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.7175e-01 1.I65 N = 118.89(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.4819e-01 1.R66 C = 178.82(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.3515e-01 1.R66 CA = 60.22(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.3530e-01 1.R66 CB = 30.01(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.0614e-01 1.R66 H = 7.831(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0254e-01 1.R66 HA = 3.675(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.7424e-01 1.R66 N = 117.82(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.1807e-01 1.K67 C = 178.80(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.8014e-01 1.K67 CA = 59.59(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3014e-01 1.K67 CB = 31.41(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.3817e-01 1.K67 H = 7.210(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0240e-01 1.K67 HA = 3.304(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.8131e-02 1.K67 N = 117.81(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.9011e-01 1.V68 C = 178.48(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.3226e-01 1.V68 CA = 67.52(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.8622e-02 1.V68 CB = 31.79(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.9949e-01 1.V68 H = 7.448(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0886e-01 1.V68 HA = 1.516(S), Expected = 4.19, Std = 0.5800, ChiSquare = 4.0200e-06 1.V68 N = 120.96(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6837e-01 1.M69 C = 179.97(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.9771e-02 1.M69 CA = 57.08(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.6358e-01 1.M69 CB = 30.24(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.1957e-01 1.M69 H = 8.351(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.7945e-01 1.M69 HA = 4.577(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.2790e-01 1.M69 N = 115.90(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.4053e-01 1.L70 C = 180.13(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1277e-01 1.L70 CA = 57.60(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5259e-01 1.L70 CB = 41.84(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0259e-01 1.L70 H = 7.594(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2785e-01 1.L70 HA = 4.151(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.1917e-01 1.L70 N = 120.91(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0755e-01 1.V71 C = 177.62(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9251e-01 1.V71 CA = 66.56(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5471e-01 1.V71 CB = 30.35(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.8365e-01 1.V71 H = 7.196(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0250e-01 1.V71 HA = 3.411(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.7924e-01 1.V71 N = 122.91(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9663e-01 1.I72 C = 177.35(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.3466e-01 1.I72 CA = 65.37(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6062e-01 1.I72 CB = 35.84(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.6722e-01 1.I72 H = 7.514(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.5997e-01 1.I72 HA = 3.243(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.4285e-02 1.I72 N = 119.28(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.1051e-01 1.D73 C = 178.14(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.2008e-01 1.D73 CA = 58.12(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.1094e-02 1.D73 CB = 43.59(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4359e-02 1.D73 H = 8.287(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6837e-01 1.D73 HA = 3.995(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.2974e-02 1.D73 N = 118.57(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.8998e-01 1.A74 C = 180.25(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.3864e-01 1.A74 CA = 55.19(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0050e-01 1.A74 CB = 17.33(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5860e-01 1.A74 H = 7.764(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6743e-01 1.A74 HA = 3.973(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.1423e-01 1.A74 N = 122.59(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5653e-01 1.A75 C = 177.48(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0285e-01 1.A75 CA = 55.24(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8887e-01 1.A75 CB = 16.44(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.6021e-01 1.A75 H = 7.995(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3260e-01 1.A75 HA = 3.619(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.4517e-01 1.A75 N = 123.70(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9438e-01 1.V76 C = 180.02(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.0570e-02 1.V76 CA = 66.82(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3003e-01 1.V76 CB = 31.01(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.3661e-01 1.V76 H = 7.903(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6353e-01 1.V76 HA = 2.912(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.7563e-02 1.V76 N = 116.35(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9140e-01 1.T77 C = 175.29(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.7001e-01 1.T77 CA = 66.55(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.4561e-02 1.T77 CB = 68.94(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.2792e-01 1.T77 H = 8.511(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.6204e-01 1.T77 HA = 3.785(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.5965e-01 1.T77 N = 116.84(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6498e-01 1.N78 C = 175.10(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2434e-01 1.N78 CA = 53.76(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0684e-01 1.N78 CB = 39.26(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.3591e-01 1.N78 H = 7.400(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.3568e-01 1.N78 HA = 4.800(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.1802e-01 1.N78 N = 117.66(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.5266e-01 1.V79 C = 174.91(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.0864e-01 1.V79 CA = 65.46(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9906e-01 1.V79 CB = 31.06(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5084e-01 1.V79 H = 6.907(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9001e-02 1.V79 HA = 3.609(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.1648e-01 1.V79 N = 120.46(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.8094e-01 1.E80 C = 177.15(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.8582e-01 1.E80 CA = 58.14(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9480e-01 1.E80 CB = 29.56(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9361e-01 1.E80 H = 8.116(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.1682e-01 1.E80 HA = 4.124(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.5860e-01 1.E80 N = 117.41(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4887e-01 1.D81 C = 176.08(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.5491e-01 1.D81 CA = 54.16(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9403e-01 1.D81 CB = 40.22(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8371e-01 1.D81 H = 7.933(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.1569e-01 1.D81 HA = 4.663(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.1955e-01 1.D81 N = 116.80(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.1857e-01 1.L82 C = 179.55(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9604e-01 1.L82 CA = 56.64(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3203e-01 1.L82 CB = 42.08(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0263e-01 1.L82 H = 8.930(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8151e-01 1.L82 HA = 4.045(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5848e-01 1.L82 N = 127.53(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4599e-01 1.S83 C = 177.44(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.0110e-01 1.S83 CA = 62.35(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.9495e-02 1.S83 CB = 62.35(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.2722e-01 1.S83 H = 8.481(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3335e-01 1.S83 HA = 4.197(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.7926e-01 1.S83 N = 117.39(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5250e-01 1.S84 C = 175.42(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.4185e-01 1.S84 CA = 60.86(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.0122e-01 1.S84 CB = 63.09(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.3142e-01 1.S84 H = 7.933(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.5644e-01 1.S84 HA = 4.313(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.7631e-01 1.S84 N = 117.60(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0766e-01 1.L85 C = 176.97(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9194e-01 1.L85 CA = 54.10(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7547e-01 1.L85 CB = 43.84(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1574e-01 1.L85 H = 7.854(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6295e-01 1.L85 HA = 4.688(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.3364e-01 1.L85 N = 120.81(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8775e-01 1.E86 C = 178.48(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0901e-01 1.E86 CA = 61.75(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.4038e-02 1.E86 CB = 30.29(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7068e-01 1.E86 H = 7.546(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.8391e-01 1.E86 HA = 3.823(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.9766e-01 1.E86 N = 121.29(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5860e-01 1.E87 C = 179.42(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.9098e-01 1.E87 CA = 60.39(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4186e-01 1.E87 CB = 29.05(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.7675e-01 1.E87 H = 8.924(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.1404e-01 1.E87 HA = 4.194(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.9136e-01 1.E87 N = 120.69(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9541e-01 1.Y88 C = 178.61(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.0673e-01 1.Y88 CA = 61.53(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.7555e-01 1.Y88 CB = 38.24(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.1707e-01 1.Y88 H = 8.566(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.3613e-01 1.Y88 HA = 4.362(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.3224e-01 1.Y88 N = 122.20(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.8916e-01 1.L89 C = 180.16(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0937e-01 1.L89 CA = 58.17(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3124e-01 1.L89 CB = 41.89(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2322e-01 1.L89 H = 9.009(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3074e-01 1.L89 HA = 4.136(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.9544e-01 1.L89 N = 119.21(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9683e-01 1.T90 C = 177.46(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.7097e-02 1.T90 CA = 68.40(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.7028e-02 1.T90 CB = 68.70(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.2745e-01 1.T90 H = 9.058(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.8705e-01 1.T90 HA = 4.539(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.6927e-01 1.T90 N = 119.46(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.9503e-01 1.S91 C = 178.22(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.6347e-02 1.S91 CA = 62.84(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6554e-02 1.S91 CB = 62.84(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.1657e-01 1.S91 H = 8.372(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7609e-01 1.S91 HA = 4.606(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.5276e-01 1.S91 N = 119.23(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.0199e-01 1.L92 C = 184.66(S), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0718e-04 1.L92 CA = 58.80(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3545e-01 1.L92 CB = 43.47(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3722e-01 1.L92 H = 9.144(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5968e-01 1.L92 HA = 5.545(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.1504e-03 1.L92 N = 125.47(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5463e-01 1.G93 Typing: Mistyped 1.G93 C = 176.14(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.2726e-01 1.G93 CA = 50.42(S), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5459e-04 1.G93 H = 10.410(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.3743e-03 1.G93 HA2 = 6.247(S), Expected = 3.97, Std = 0.3700, ChiSquare = 7.5527e-10 1.G93 HA3 = 6.118(S), Expected = 3.90, Std = 0.3700, ChiSquare = 2.0399e-09 1.G93 N = 116.16(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3542e-02 1.R94 C = 180.52(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.2905e-02 1.R94 CA = 61.24(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.2982e-02 1.R94 CB = 30.26(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.0999e-01 1.R94 H = 9.412(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.4693e-02 1.R94 HA = 4.591(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.2699e-01 1.R94 N = 124.44(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.2260e-01 1.K95 C = 180.67(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.3905e-02 1.K95 CA = 60.71(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7434e-02 1.K95 CB = 33.54(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7350e-01 1.K95 H = 9.121(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2074e-01 1.K95 HA = 5.094(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1106e-02 1.K95 N = 120.69(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2393e-01 1.H96 Typing: Mistyped 1.H96 C = 178.16(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.3963e-01 1.H96 CA = 70.19(A), Expected = 56.52, Std = 2.3100, ChiSquare = 3.2638e-09 1.H96 CB = 27.04(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.2213e-01 1.H96 H = 10.859(S), Expected = 8.24, Std = 0.6800, ChiSquare = 1.1741e-04 1.H96 HA = 6.896(S), Expected = 4.61, Std = 0.4300, ChiSquare = 1.0591e-07 1.H96 N = 119.75(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.8803e-01 1.R97 C = 180.67(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.5859e-02 1.R97 CA = 60.07(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.5313e-01 1.R97 CB = 28.99(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.5008e-01 1.R97 H = 9.215(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0996e-01 1.R97 HA = 4.068(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.1402e-01 1.R97 N = 124.16(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.6122e-01 1.A98 C = 179.61(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.7998e-01 1.A98 CA = 55.38(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5792e-01 1.A98 CB = 18.77(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9566e-01 1.A98 H = 8.392(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4897e-01 1.A98 HA = 4.395(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.5898e-01 1.A98 N = 121.07(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4175e-01 1.V99 C = 175.70(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.6641e-01 1.V99 CA = 61.91(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.3929e-01 1.V99 CB = 31.75(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.8404e-01 1.V99 H = 7.830(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9236e-01 1.V99 HA = 4.481(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.1586e-01 1.V99 N = 111.53(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4282e-02 1.G100 C = 174.70(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.5886e-01 1.G100 CA = 45.32(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8214e-01 1.G100 H = 7.604(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6403e-01 1.G100 HA2 = 4.108(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.0917e-01 1.G100 HA3 = 3.624(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.5570e-01 1.G100 N = 105.84(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2234e-01 1.V101 C = 174.96(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.2831e-01 1.V101 CA = 62.94(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7497e-01 1.V101 CB = 30.80(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8094e-01 1.V101 H = 7.325(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4978e-01 1.V101 HA = 2.773(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.4562e-02 1.V101 N = 120.75(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3154e-01 1.R102 C = 176.75(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.6699e-01 1.R102 CA = 54.27(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7914e-01 1.R102 CB = 31.10(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.2698e-01 1.R102 H = 8.769(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8583e-01 1.R102 HA = 4.412(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.0763e-01 1.R102 N = 127.83(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6091e-02 1.L103 C = 180.22(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0282e-01 1.L103 CA = 57.20(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5822e-01 1.L103 CB = 41.86(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1083e-01 1.L103 H = 8.233(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9632e-01 1.L103 HA = 3.206(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.7778e-02 1.L103 N = 121.90(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9182e-01 1.S104 C = 176.76(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.1343e-01 1.S104 CA = 60.35(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3102e-01 1.S104 CB = 61.99(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.2134e-01 1.S104 H = 7.936(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.5986e-01 1.S104 HA = 3.932(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.7069e-01 1.S104 N = 112.29(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5699e-01 1.S105 C = 174.88(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.7985e-01 1.S105 CA = 60.79(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1731e-01 1.S105 CB = 62.10(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.5070e-01 1.S105 H = 7.305(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8424e-02 1.S105 HA = 4.258(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.7889e-01 1.S105 N = 117.28(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7634e-01 1.F106 C = 180.77(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.1786e-03 1.F106 CA = 62.69(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.2849e-02 1.F106 CB = 37.67(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.6698e-01 1.F106 H = 7.478(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.2058e-01 1.F106 HA = 3.291(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.8818e-02 1.F106 N = 118.52(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.4428e-01 1.S107 C = 176.14(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.7685e-01 1.S107 CA = 61.91(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2330e-01 1.S107 CB = 61.91(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.0159e-01 1.S107 HA = 3.911(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.5488e-01 1.T108 C = 178.12(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.1942e-02 1.T108 CA = 65.06(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.7285e-01 1.T108 CB = 67.65(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.0193e-01 1.T108 H = 7.040(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.2931e-02 1.T108 HA = 3.805(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.7238e-01 1.T108 N = 119.12(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3601e-01 1.V109 C = 177.20(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0565e-01 1.V109 CA = 67.19(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0031e-01 1.V109 CB = 30.50(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.1283e-01 1.V109 H = 7.168(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4007e-02 1.V109 HA = 3.349(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.4706e-01 1.V109 N = 122.78(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1792e-01 1.G110 C = 175.57(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.6586e-01 1.G110 CA = 48.11(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9427e-02 1.G110 H = 7.422(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6244e-01 1.G110 HA2 = 3.463(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.7060e-01 1.G110 HA3 = 2.429(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.0180e-05 1.G110 N = 107.51(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7675e-01 1.E111 C = 180.29(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.9457e-02 1.E111 CA = 59.41(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1731e-01 1.E111 CB = 29.34(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9688e-01 1.E111 H = 7.858(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2371e-01 1.E111 HA = 3.952(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.6733e-01 1.E111 N = 119.67(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7384e-01 1.S112 C = 175.24(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1850e-01 1.S112 CA = 63.02(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.7774e-02 1.S112 CB = 63.02(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.9817e-01 1.S112 H = 7.813(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.2864e-01 1.S112 HA = 4.128(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.7886e-01 1.S112 N = 118.31(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.6414e-01 1.L113 C = 177.96(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2421e-01 1.L113 CA = 58.73(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4426e-01 1.L113 CB = 42.06(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9421e-01 1.L113 H = 8.578(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9238e-01 1.L113 HA = 4.039(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.4993e-01 1.L113 N = 125.42(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6134e-01 1.L114 C = 178.90(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3472e-01 1.L114 CA = 58.50(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7634e-01 1.L114 CB = 40.85(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.3740e-01 1.L114 H = 8.006(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3038e-01 1.L114 HA = 3.881(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.5028e-01 1.L114 N = 117.28(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4025e-01 1.Y115 C = 176.63(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.3652e-01 1.Y115 CA = 61.80(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.4370e-01 1.Y115 CB = 38.81(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.1335e-01 1.Y115 H = 8.143(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.0842e-01 1.Y115 HA = 4.123(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.6528e-01 1.Y115 N = 121.18(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.7513e-01 1.M116 C = 179.05(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.6969e-01 1.M116 CA = 59.40(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.4012e-01 1.M116 CB = 31.88(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.2022e-01 1.M116 H = 8.309(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.3491e-01 1.M116 HA = 3.792(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.9792e-01 1.M116 N = 119.82(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.3971e-01 1.L117 C = 177.53(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8506e-01 1.L117 CA = 57.88(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8868e-01 1.L117 CB = 42.13(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2372e-01 1.L117 H = 7.963(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8124e-01 1.L117 HA = 3.460(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7282e-02 1.L117 N = 121.66(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5910e-01 1.E118 C = 179.83(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.2903e-01 1.E118 CA = 59.92(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1349e-01 1.E118 CB = 29.32(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8830e-01 1.E118 H = 7.955(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.2504e-01 1.E118 HA = 3.253(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.5028e-02 1.E118 N = 121.35(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4508e-01 1.K119 C = 178.82(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.7571e-01 1.K119 CA = 57.61(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6418e-01 1.K119 CB = 31.46(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.5495e-01 1.K119 H = 8.095(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7419e-01 1.K119 HA = 3.885(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.8157e-01 1.K119 N = 118.35(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.7388e-01 1.S120 C = 176.27(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.3741e-01 1.S120 CA = 60.52(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.8454e-01 1.S120 CB = 63.56(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7118e-01 1.S120 H = 7.729(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.5036e-01 1.S120 HA = 4.238(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.4518e-01 1.S120 N = 112.47(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.7908e-01 1.L121 C = 179.32(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.3929e-01 1.L121 CA = 55.71(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6630e-01 1.L121 CB = 44.31(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.8741e-01 1.L121 H = 8.126(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7288e-01 1.L121 HA = 4.415(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.3982e-01 1.L121 N = 118.80(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3268e-01 1.G122 C = 174.95(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6565e-01 1.G122 CA = 45.62(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4031e-01 1.G122 H = 8.197(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3787e-01 1.G122 HA2 = 4.196(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.4132e-01 1.G122 HA3 = 3.786(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.5800e-01 1.G122 N = 111.97(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5230e-01 1.P123 C = 177.28(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.2559e-01 1.P123 CA = 64.29(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.2766e-01 1.P123 CB = 32.03(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.7876e-01 1.P123 HA = 4.461(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.5335e-01 1.D124 C = 176.87(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.8826e-01 1.D124 CA = 55.60(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5395e-01 1.D124 CB = 40.49(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.0976e-01 1.D124 H = 7.617(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3215e-01 1.D124 HA = 4.796(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.1974e-01 1.D124 N = 116.28(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.5758e-01 1.F125 C = 173.80(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.1560e-01 1.F125 CA = 56.41(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.1582e-01 1.F125 CB = 36.97(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.4846e-01 1.F125 H = 8.482(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.6545e-01 1.F125 HA = 4.816(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.4419e-01 1.F125 N = 125.68(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.1086e-01 1.T126 C = 173.12(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.1977e-01 1.T126 CA = 60.23(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.4229e-01 1.T126 CB = 68.81(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.7247e-01 1.T126 H = 7.257(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.1286e-01 1.T126 HA = 4.618(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.4203e-01 1.T126 N = 114.29(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1196e-01 1.P127 C = 179.07(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.2443e-01 1.P127 CA = 66.28(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.2284e-02 1.P127 CB = 31.58(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.1901e-01 1.P127 HA = 4.137(D), Expected = 4.40, Std = 0.3300, ChiSquare = 4.2547e-01 1.A128 C = 180.77(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.5487e-01 1.A128 CA = 55.22(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9349e-01 1.A128 CB = 18.61(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2698e-01 1.A128 H = 8.283(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8998e-01 1.A128 HA = 4.109(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.3146e-01 1.A128 N = 118.32(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6544e-01 1.T129 C = 175.49(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.8935e-01 1.T129 CA = 68.00(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5637e-02 1.T129 CB = 68.00(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.8853e-01 1.T129 H = 7.821(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.9916e-01 1.T129 HA = 3.793(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.6466e-01 1.T129 N = 119.26(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.1885e-01 1.R130 C = 178.72(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.5515e-01 1.R130 CA = 60.20(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.3758e-01 1.R130 CB = 29.74(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.9987e-01 1.R130 H = 8.089(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.0449e-01 1.R130 HA = 3.695(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.8844e-01 1.R130 N = 123.77(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.1963e-01 1.T131 C = 176.21(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.4269e-01 1.T131 CA = 66.92(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.9575e-02 1.T131 CB = 68.84(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.8506e-01 1.T131 H = 8.527(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4343e-01 1.T131 HA = 3.841(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9720e-01 1.T131 N = 117.61(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4476e-01 1.A132 C = 179.92(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.0608e-01 1.A132 CA = 55.87(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6796e-01 1.A132 CB = 18.15(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.3839e-01 1.A132 H = 7.925(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4671e-01 1.A132 HA = 4.016(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.7921e-01 1.A132 N = 124.39(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4315e-01 1.W133 C = 178.95(D), Expected = 176.12, Std = 2.0100, ChiSquare = 1.5914e-01 1.W133 CA = 62.24(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.5866e-02 1.W133 CB = 29.44(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.7673e-01 1.W133 H = 8.362(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.2738e-01 1.W133 HA = 4.038(D), Expected = 4.68, Std = 0.5300, ChiSquare = 2.2577e-01 1.W133 N = 118.35(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.2565e-01 1.S134 C = 177.70(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3342e-02 1.S134 CA = 62.78(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9838e-02 1.S134 CB = 62.78(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.9070e-01 1.S134 H = 8.684(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9350e-01 1.S134 HA = 4.335(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.1698e-01 1.S134 N = 115.87(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0727e-01 1.R135 C = 178.91(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1813e-01 1.R135 CA = 59.72(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.0158e-01 1.R135 CB = 29.76(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.0749e-01 1.R135 H = 8.077(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.8930e-01 1.R135 HA = 4.086(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.4178e-01 1.R135 N = 123.71(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2908e-01 1.L136 C = 178.13(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.6478e-01 1.L136 CA = 58.44(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8552e-01 1.L136 CB = 41.53(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7822e-01 1.L136 H = 8.081(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1869e-01 1.L136 HA = 3.984(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.7467e-01 1.L136 N = 122.34(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0205e-01 1.Y137 C = 177.00(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.2139e-01 1.Y137 CA = 62.99(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.2837e-02 1.Y137 CB = 38.21(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.0733e-01 1.Y137 H = 9.114(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.7674e-01 1.Y137 HA = 3.823(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.4956e-01 1.Y137 N = 118.58(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.4415e-01 1.G138 C = 175.97(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.6399e-01 1.G138 CA = 47.28(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4978e-01 1.G138 H = 8.204(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4630e-01 1.G138 HA2 = 3.768(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.8510e-01 1.G138 HA3 = 3.464(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.3865e-01 1.G138 N = 104.64(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.9369e-01 1.A139 C = 180.84(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.4556e-01 1.A139 CA = 55.28(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7978e-01 1.A139 CB = 18.20(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5804e-01 1.A139 H = 7.731(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3441e-01 1.A139 HA = 3.994(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.4548e-01 1.A139 N = 125.35(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4926e-01 1.V140 C = 177.80(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5123e-01 1.V140 CA = 66.71(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4007e-01 1.V140 CB = 31.15(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.7741e-01 1.V140 H = 7.826(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8860e-01 1.V140 HA = 3.384(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.6463e-01 1.V140 N = 121.84(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7746e-01 1.V141 C = 179.18(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.0974e-02 1.V141 CA = 66.49(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6193e-01 1.V141 H = 8.237(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3695e-01 1.V141 HA = 2.641(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.5696e-03 1.V141 N = 119.64(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4110e-01 1.Q142 C = 178.50(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.6140e-01 1.Q142 CA = 59.47(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.7537e-01 1.Q142 CB = 28.24(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.0169e-01 1.Q142 H = 8.203(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7701e-01 1.Q142 HA = 3.726(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1632e-01 1.Q142 N = 121.58(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.3875e-01 1.A143 C = 180.47(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.9995e-01 1.A143 CA = 55.38(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5792e-01 1.A143 CB = 19.63(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.3476e-01 1.A143 H = 7.334(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4893e-01 1.A143 HA = 4.222(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3118e-01 1.A143 N = 120.17(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8736e-01 1.M144 C = 180.68(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.1310e-02 1.M144 CA = 60.15(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.0039e-02 1.M144 CB = 34.66(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.5595e-01 1.M144 H = 8.607(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.6304e-01 1.M144 HA = 4.735(D), Expected = 4.41, Std = 0.4800, ChiSquare = 4.9835e-01 1.M144 N = 116.32(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.9096e-01 1.S145 C = 176.60(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.4967e-01 1.S145 CA = 62.69(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.5127e-02 1.S145 CB = 62.69(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.5325e-01 1.S145 H = 8.927(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.7281e-01 1.S145 HA = 4.620(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.2634e-01 1.S145 N = 114.15(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.4510e-01 1.R146 C = 179.46(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.3298e-01 1.R146 CA = 58.91(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.5423e-01 1.R146 CB = 30.23(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.9731e-01 1.R146 H = 7.688(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.6551e-01 1.R146 HA = 4.506(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.5428e-01 1.R146 N = 123.57(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.5162e-01 1.G147 C = 173.71(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3218e-01 1.G147 CA = 47.00(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1819e-01 1.G147 H = 9.191(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.8530e-01 1.G147 HA2 = 4.495(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.5592e-01 1.G147 HA3 = 4.327(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.4848e-01 1.G147 N = 106.99(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8862e-01 1.W148 C = 176.28(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.3655e-01 1.W148 CA = 60.22(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.2108e-01 1.W148 CB = 30.94(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.4359e-01 1.W148 H = 8.436(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.5338e-01 1.W148 HA = 4.699(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.7140e-01 1.W148 N = 122.00(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.3898e-01 1.D149 C = 176.85(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.9707e-01 1.D149 CA = 55.12(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3225e-01 1.D149 CB = 41.60(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.5672e-01 1.D149 H = 7.886(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.6476e-01 1.D149 HA = 4.868(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.8498e-01 1.D149 N = 120.20(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0719e-01 1.G150 C = 173.59(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8160e-01 1.G150 CA = 45.61(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4615e-01 1.G150 H = 8.446(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5836e-01 1.G150 HA2 = 4.196(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.4132e-01 1.G150 HA3 = 4.405(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.7230e-01 1.G150 N = 109.42(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4849e-01 1.E151 C = 181.68(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.3638e-02 1.E151 CA = 58.45(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8874e-01 1.E151 CB = 31.26(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6738e-01 1.E151 H = 8.172(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.8886e-01 1.E151 HA = 4.221(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.4361e-01 1.E151 N = 126.03(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2350e-01