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: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.18 H 0.17 M 0.14 W 0.13 E 0.13 Q 0.11 K 0.1 C Shift Assignments>> C :: 177.12(D) CA :: 55.91(D) CB :: 31.05(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>> HA :: 4.384(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.R3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 L 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 E 0.06 W 0.06 D 0.06 F 0.05 Y 0.05 S 0.02 N 0.02 A 0.01 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> CA :: 56.01(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 :: 8.865(D) HA :: 4.377(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 :: 123.05(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: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.501(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.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 E 0.15 I 0.12 K 0.12 H 0.11 R 0.1 Q 0.1 V 0.03 M 0.02 HN Overlap>> 1.R3 1.R3 C Shift Assignments>> C :: 178.04(D) CA :: 59.66(D) CB :: 29.51(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 :: 8.918(D) HA :: 4.375(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 :: 123.04(D) Ave N Shift Values>> N :: 120.67(3.48) 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 :: 176.44(D) CA :: 62.01(D) CB :: 62.01(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.203(D) HA :: 3.817(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 :: 115.92(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>> W 0.21 I 0.15 E 0.14 K 0.11 R 0.1 H 0.1 Q 0.09 V 0.04 M 0.02 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 178.87(D) CA :: 59.93(D) CB :: 29.52(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 :: 7.897(D) HA :: 4.160(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 :: 121.51(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 0.24 F 0.23 Y 0.18 L 0.16 D 0.09 R 0.04 I 0.03 C Shift Assignments>> C :: 181.99(D) CA :: 57.74(D) CB :: 41.45(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 :: 7.507(D) HA :: 4.168(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 :: 118.40(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 0.78 V 0.09 Y 0.06 F 0.04 C Shift Assignments>> C :: 177.25(D) CA :: 63.93(D) CB :: 36.88(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 :: 7.776(D) HA :: 3.373(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 :: 121.62(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>> V 0.24 W 0.19 P 0.11 I 0.1 E 0.08 R 0.08 H 0.06 K 0.04 Q 0.03 M 0.02 HN Overlap>> 1.D73 1.D73 1.S91 1.S91 C Shift Assignments>> C :: 179.97(D) CA :: 61.20(D) CB :: 30.68(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 :: 8.300(D) HA :: 3.862(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 :: 118.94(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>> W 0.17 K 0.15 I 0.15 E 0.12 Q 0.12 H 0.1 R 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 178.72(D) CA :: 59.04(D) CB :: 28.46(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 :: 8.669(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 :: 116.57(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 :: 176.87(D) CA :: 60.77(D) CB :: 64.19(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.773(D) HA :: 4.493(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 :: 113.21(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>> W 0.17 R 0.15 E 0.14 H 0.13 K 0.12 M 0.1 V 0.07 Q 0.07 I 0.01 C Shift Assignments>> C :: 177.88(D) CA :: 58.67(D) CB :: 31.37(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 :: 9.096(D) HA :: 4.782(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 :: 123.58(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>> W 0.22 E 0.16 R 0.13 H 0.12 Q 0.09 K 0.08 I 0.07 V 0.05 M 0.03 C Shift Assignments>> C :: 178.22(D) CA :: 59.55(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 :: 7.841(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 :: 117.90(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 0.67 P 0.3 I 0.01 C Shift Assignments>> C :: 178.59(D) CA :: 66.11(D) CB :: 32.04(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 :: 7.005(D) HA :: 3.554(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 :: 116.74(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 0.5 V 0.43 I 0.03 W 0.01 C Shift Assignments>> C :: 177.77(D) CA :: 64.49(D) CB :: 31.41(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 :: 6.831(D) HA :: 2.791(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 :: 119.63(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 HN Overlap>> 1.G122 1.G122 C Shift Assignments>> C :: 174.32(D) CA :: 60.54(D) CB :: 62.62(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.000(D) HA :: 4.780(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 :: 111.90(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>> W 0.18 R 0.16 E 0.16 H 0.14 Q 0.1 K 0.09 M 0.08 V 0.03 I 0.01 C Shift Assignments>> C :: 177.65(D) CA :: 58.22(D) CB :: 30.81(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 :: 6.940(D) HA :: 4.178(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 :: 119.57(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.S19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.16(D) CB :: 62.81(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.517(D) HA :: 4.012(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 :: 110.32(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.68 P 0.29 I 0.01 C Shift Assignments>> C :: 179.40(D) CA :: 66.06(D) CB :: 32.19(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 :: 4.775(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.L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 K 0.21 L 0.12 I 0.06 D 0.06 R 0.02 C Shift Assignments>> C :: 179.90(D) CA :: 58.38(D) CB :: 41.30(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 :: 8.342(D) HA :: 4.389(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 :: 119.45(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 W 0.2 K 0.12 E 0.11 H 0.08 Q 0.08 R 0.07 V 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 180.01(D) CA :: 60.29(D) CB :: 29.02(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 :: 8.623(D) HA :: 4.184(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.24(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 I 0.15 E 0.12 V 0.11 R 0.1 H 0.09 Q 0.06 K 0.06 P 0.02 M 0.02 C Shift Assignments>> C :: 178.36(D) CA :: 60.61(D) CB :: 30.08(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 :: 7.703(D) HA :: 4.473(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 :: 117.94(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>> G 0.41 P 0.33 A 0.13 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 176.48(D) CA :: 48.16(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.174(D) HA2 :: 4.214(D) HA3 :: 4.214(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.82(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 C Shift Assignments>> C :: 176.33(D) CA :: 68.44(D) CB :: 68.80(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 :: 8.645(D) HA :: 4.439(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.02(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 0.74 P 0.21 I 0.03 C Shift Assignments>> C :: 178.50(D) CA :: 66.74(D) CB :: 31.59(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 :: 7.372(D) HA :: 3.811(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.12(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>> F 0.25 K 0.2 Y 0.18 R 0.14 I 0.1 L 0.07 G 0.01 D 0.01 HN Overlap>> 1.S105 1.S105 C Shift Assignments>> C :: 179.10(D) CA :: 60.15(D) CB :: 42.34(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 :: 7.685(D) HA :: 3.711(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 :: 120.34(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 0.79 Y 0.1 F 0.09 C Shift Assignments>> C :: 176.13(D) CA :: 63.54(D) CB :: 38.99(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.437(D) HA :: 3.525(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 :: 116.30(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 0.64 A 0.29 I 0.05 C Shift Assignments>> C :: 181.37(D) CA :: 55.55(D) CB :: 17.84(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.740(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 :: 122.14(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>> Q 0.16 K 0.15 H 0.15 E 0.15 W 0.15 R 0.13 M 0.04 I 0.02 C Shift Assignments>> C :: 176.84(D) CA :: 56.79(D) CB :: 29.40(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 :: 7.734(D) HA :: 3.825(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 :: 119.63(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>> K 0.27 F 0.2 Y 0.15 L 0.15 R 0.11 D 0.05 I 0.03 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 178.42(D) CA :: 58.29(D) CB :: 42.01(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 :: 7.910(D) HA :: 3.433(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 :: 121.58(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 0.33 F 0.25 E 0.14 I 0.12 N 0.04 M 0.03 D 0.03 L 0.01 C Shift Assignments>> C :: 177.83(D) CA :: 57.45(D) CB :: 37.89(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 :: 7.732(D) HA :: 4.313(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 :: 113.46(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 0.53 M 0.44 I 0.01 C Shift Assignments>> C :: 180.03(D) CA :: 54.40(D) CB :: 18.08(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.373(D) HA :: 4.096(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.55(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 0.29 D 0.08 F 0.08 K 0.07 Y 0.05 G 0.04 C Shift Assignments>> C :: 178.23(D) CA :: 56.39(D) CB :: 43.31(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 :: 7.625(D) HA :: 4.004(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 :: 117.43(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 0.19 R 0.18 M 0.16 W 0.12 Q 0.11 E 0.1 K 0.09 C Shift Assignments>> CA :: 54.33(D) CB :: 30.98(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 :: 8.450(D) HA :: 4.487(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 :: 120.50(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 0.74 P 0.21 I 0.03 C Shift Assignments>> C :: 178.47(D) CA :: 66.77(D) CB :: 31.55(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 :: 4.370(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 :: 174.93(D) CA :: 59.75(D) CB :: 61.96(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.723(D) HA :: 3.971(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 :: 111.24(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>> R 0.33 L 0.32 D 0.1 K 0.07 F 0.07 G 0.04 Y 0.04 HN Overlap>> 1.E86 1.E86 C Shift Assignments>> C :: 177.71(D) CA :: 55.82(D) CB :: 43.32(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.530(D) HA :: 3.570(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 :: 121.06(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>> Y 0.32 F 0.31 I 0.31 L 0.01 D 0.01 C Shift Assignments>> CA :: 59.89(D) CB :: 39.46(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 :: 7.119(D) HA :: 3.775(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 :: 119.10(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>> P 0.49 V 0.44 I 0.03 W 0.01 C Shift Assignments>> C :: 175.91(D) CA :: 64.71(D) CB :: 31.41(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 :: 5.092(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>> D 0.29 N 0.2 F 0.16 L 0.15 Y 0.14 K 0.01 I 0.01 C Shift Assignments>> C :: 176.72(D) CA :: 54.91(D) CB :: 39.95(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.615(D) HA :: 3.278(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.95(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 0.36 F 0.32 I 0.12 D 0.06 L 0.04 N 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 173.82(D) CA :: 57.62(D) CB :: 38.82(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 :: 6.849(D) HA :: 3.587(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 :: 116.44(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 0.19 Q 0.18 R 0.14 K 0.14 W 0.13 E 0.1 M 0.06 L 0.01 C Shift Assignments>> C :: 174.75(D) CA :: 54.18(D) CB :: 29.42(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 :: 7.221(D) HA :: 4.466(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 :: 123.45(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 0.34 Y 0.32 I 0.1 L 0.09 D 0.09 K 0.02 N 0.01 C Shift Assignments>> CA :: 57.81(D) CB :: 39.98(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 :: 7.961(D) HA :: 4.855(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.06(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 0.44 Y 0.15 F 0.13 D 0.1 E 0.06 M 0.03 L 0.03 I 0.01 C Shift Assignments>> C :: 175.36(D) CA :: 54.49(D) CB :: 37.97(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 :: 4.778(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 0.9 L 0.07 C Shift Assignments>> C :: 173.90(D) CA :: 45.86(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.552(D) HA2 :: 4.035(D) HA3 :: 3.600(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.41(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 0.26 K 0.2 Q 0.13 R 0.13 H 0.12 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 174.96(D) CA :: 55.05(D) CB :: 32.62(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 :: 4.532(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.20(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 M 0.19 R 0.18 W 0.12 Q 0.1 K 0.1 E 0.08 C Shift Assignments>> C :: 176.49(D) CA :: 53.98(D) CB :: 31.14(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 :: 8.353(D) HA :: 4.295(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 :: 121.45(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 0.3 Y 0.3 D 0.13 L 0.1 I 0.06 N 0.05 C Shift Assignments>> C :: 176.58(D) CA :: 56.92(D) CB :: 39.61(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 :: 9.428(D) HA :: 4.912(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 :: 123.37(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 :: 174.18(D) CA :: 59.87(D) CB :: 63.96(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.648(D) HA :: 4.366(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 :: 117.53(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>> CA :: 56.27(D) CB :: 64.07(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.716(D) HA :: 4.760(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 :: 114.34(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 0.56 P 0.4 I 0.01 C Shift Assignments>> C :: 178.94(D) CA :: 65.32(D) CB :: 32.11(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 :: 4.760(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 0.36 W 0.17 K 0.1 E 0.08 Q 0.06 H 0.06 R 0.06 P 0.04 V 0.02 C Shift Assignments>> C :: 178.86(D) CA :: 60.58(D) CB :: 28.49(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 :: 8.971(D) HA :: 3.903(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 :: 118.99(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 0.26 L 0.21 F 0.15 D 0.11 Y 0.11 R 0.1 I 0.01 C Shift Assignments>> C :: 178.59(D) CA :: 56.91(D) CB :: 41.93(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.683(D) HA :: 4.385(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 :: 119.96(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 :: 174.98(D) CA :: 61.80(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 :: 7.053(D) HA :: 2.331(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 :: 115.21(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>> L 0.2 F 0.2 D 0.18 K 0.17 Y 0.16 N 0.02 I 0.02 R 0.01 C Shift Assignments>> C :: 177.18(D) CA :: 56.56(D) CB :: 41.13(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 :: 6.849(D) HA :: 4.395(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 :: 117.63(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 :: 174.61(D) CA :: 58.12(D) CB :: 64.53(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.488(D) HA :: 4.829(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 :: 111.00(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 C Shift Assignments>> CA :: 54.71(D) CB :: 64.43(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.756(D) HA :: 5.465(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 :: 119.41(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 0.65 P 0.33 C Shift Assignments>> C :: 180.39(D) CA :: 65.62(D) CB :: 32.48(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 :: 4.655(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 0.51 P 0.2 W 0.09 R 0.04 K 0.03 E 0.03 Q 0.02 H 0.02 V 0.01 C Shift Assignments>> C :: 180.82(D) CA :: 61.65(D) CB :: 28.01(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 :: 9.533(D) HA :: 4.655(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 :: 120.07(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 0.68 F 0.16 Y 0.12 K 0.01 C Shift Assignments>> C :: 181.29(D) CA :: 63.80(D) CB :: 41.38(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.029(D) HA :: 6.345(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.74(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 0.27 K 0.23 Y 0.2 L 0.09 I 0.09 R 0.06 D 0.02 C Shift Assignments>> C :: 180.60(D) CA :: 59.27(D) CB :: 41.72(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 :: 9.547(D) HA :: 5.000(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 :: 122.50(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 0.27 K 0.22 Y 0.21 L 0.11 I 0.07 D 0.04 R 0.03 C Shift Assignments>> C :: 181.08(D) CA :: 58.71(D) CB :: 41.46(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.361(D) HA :: 5.428(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 :: 120.96(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H64 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Duplicate PRTL>> W 0.99 C Shift Assignments>> C :: 179.80(D) CA :: 89.79(A) CB :: 66.17(A) 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 :: 10.610(S) HA :: 7.956(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 :: 122.53(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 0.89 V 0.1 C Shift Assignments>> C :: 178.97(D) CA :: 69.39(D) CB :: 37.55(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 :: 10.366(D) HA :: 5.255(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.63(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>> W 0.22 I 0.15 V 0.13 E 0.11 R 0.09 H 0.08 Q 0.05 K 0.05 P 0.04 M 0.02 C Shift Assignments>> C :: 179.36(D) CA :: 60.77(D) CB :: 30.16(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 :: 8.943(D) HA :: 4.029(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 :: 119.94(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>> W 0.22 E 0.15 R 0.14 H 0.12 V 0.08 Q 0.08 I 0.06 K 0.06 M 0.04 C Shift Assignments>> C :: 177.34(D) CA :: 59.69(D) CB :: 30.46(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 :: 8.722(D) HA :: 2.974(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.10(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.77 I 0.13 P 0.07 HN Overlap>> 1.V141 1.V141 C Shift Assignments>> C :: 177.60(D) CA :: 64.83(D) CB :: 34.63(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.438(D) HA :: 2.804(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 :: 120.08(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>> H 0.16 E 0.16 W 0.15 R 0.15 Q 0.15 K 0.1 M 0.06 I 0.01 C Shift Assignments>> C :: 179.44(D) CA :: 56.73(D) CB :: 29.97(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.963(D) HA :: 4.345(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 :: 114.81(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 0.2 L 0.18 Y 0.15 D 0.1 R 0.05 I 0.02 C Shift Assignments>> C :: 179.98(D) CA :: 57.43(D) CB :: 41.60(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 :: 7.662(D) HA :: 4.000(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 :: 121.29(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 0.53 I 0.25 P 0.18 W 0.01 C Shift Assignments>> C :: 177.51(D) CA :: 66.35(D) CB :: 30.19(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.898(D) HA :: 3.092(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 :: 122.32(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>> V 0.62 I 0.32 P 0.02 Y 0.01 C Shift Assignments>> C :: 177.22(D) CA :: 64.71(D) CB :: 35.33(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 :: 7.432(D) HA :: 3.201(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 :: 118.31(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 0.39 L 0.2 F 0.12 G 0.08 Y 0.07 K 0.06 D 0.03 I 0.01 HN Overlap>> 1.R10 1.S91 1.R10 1.S91 C Shift Assignments>> C :: 178.19(D) CA :: 58.19(D) CB :: 43.48(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.278(D) HA :: 3.956(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 :: 118.96(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 0.67 A 0.28 I 0.03 C Shift Assignments>> C :: 180.24(D) CA :: 55.06(D) CB :: 17.17(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.667(D) HA :: 3.909(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.38(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 0.72 A 0.23 I 0.03 C Shift Assignments>> C :: 177.47(D) CA :: 55.17(D) CB :: 16.87(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.934(D) HA :: 3.609(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.62(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 0.71 P 0.2 I 0.06 C Shift Assignments>> C :: 180.06(D) CA :: 66.78(D) CB :: 31.09(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.007(D) HA :: 2.908(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 :: 116.62(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 HN Overlap>> 1.F106 1.F106 C Shift Assignments>> C :: 175.20(D) CA :: 66.56(D) CB :: 68.90(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 :: 8.456(D) HA :: 3.775(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 :: 117.19(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 0.45 D 0.24 F 0.1 Y 0.1 L 0.08 C Shift Assignments>> C :: 175.03(D) CA :: 53.74(D) CB :: 39.18(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 :: 7.361(D) HA :: 4.789(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 :: 117.88(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 0.5 P 0.41 I 0.06 W 0.01 C Shift Assignments>> C :: 174.96(D) CA :: 65.38(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 :: 6.834(D) HA :: 4.116(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 :: 120.11(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 0.18 E 0.16 K 0.14 Q 0.14 H 0.13 R 0.12 I 0.04 M 0.03 V 0.01 HN Overlap>> 1.S84 1.S84 C Shift Assignments>> C :: 177.22(D) CA :: 58.18(D) CB :: 29.52(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 :: 8.130(D) HA :: 4.130(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 :: 117.45(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 0.34 N 0.22 L 0.17 F 0.12 Y 0.1 K 0.02 C Shift Assignments>> C :: 176.04(D) CA :: 54.26(D) CB :: 40.30(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 :: 7.917(D) HA :: 4.638(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 :: 116.55(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>> L 0.24 K 0.24 R 0.15 F 0.12 D 0.12 Y 0.08 C Shift Assignments>> C :: 179.58(D) CA :: 56.54(D) CB :: 42.23(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 :: 8.950(D) HA :: 4.095(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 :: 127.71(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 HN Overlap>> 1.T131 1.T131 C Shift Assignments>> C :: 177.43(D) CA :: 62.44(D) CB :: 62.44(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.528(D) HA :: 4.778(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 :: 117.29(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 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 175.43(D) CA :: 60.78(D) CB :: 63.03(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.087(D) HA :: 4.296(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 :: 117.45(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 0.37 R 0.26 G 0.14 D 0.12 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 177.05(D) CA :: 54.18(D) CB :: 43.76(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 :: 7.880(D) HA :: 4.625(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 :: 120.56(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>> V 0.25 I 0.19 P 0.19 W 0.15 E 0.05 R 0.05 H 0.03 Q 0.02 K 0.02 M 0.01 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 178.45(D) CA :: 61.98(D) CB :: 30.32(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 :: 7.537(D) HA :: 3.862(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 :: 121.15(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>> I 0.25 W 0.2 K 0.11 E 0.11 H 0.08 Q 0.08 R 0.07 V 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 179.38(D) CA :: 60.32(D) CB :: 29.02(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 :: 8.871(D) HA :: 4.187(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 :: 120.53(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 0.52 Y 0.24 F 0.19 E 0.02 C Shift Assignments>> C :: 178.58(D) CA :: 61.07(D) CB :: 38.13(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 :: 8.517(D) HA :: 4.220(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 :: 122.65(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 0.24 Y 0.18 L 0.14 D 0.06 R 0.05 I 0.05 C Shift Assignments>> C :: 180.17(D) CA :: 58.23(D) CB :: 41.59(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 :: 9.029(D) HA :: 4.126(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 :: 119.54(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 :: 177.37(D) CA :: 68.81(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 :: 9.017(D) HA :: 4.590(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 :: 119.82(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.D73 1.R10 1.D73 1.R10 C Shift Assignments>> C :: 177.61(D) CA :: 62.59(D) CB :: 62.59(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.313(D) HA :: 4.539(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 :: 118.91(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 0.39 L 0.17 F 0.13 Y 0.08 G 0.08 K 0.06 D 0.02 I 0.01 C Shift Assignments>> C :: 184.43(S) CA :: 58.57(D) CB :: 43.45(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 :: 8.901(D) HA :: 5.172(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.43(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G93 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Duplicate PRTL>> P 0.63 A 0.16 N 0.09 D 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 175.64(D) CA :: 50.62(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.280(D) HA2 :: 6.500(A) HA3 :: 6.012(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.30(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>> W 0.21 V 0.19 I 0.13 E 0.1 R 0.09 H 0.07 P 0.07 Q 0.04 K 0.03 M 0.02 C Shift Assignments>> C :: 180.72(D) CA :: 61.03(D) CB :: 30.39(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 :: 9.376(D) HA :: 4.572(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 :: 124.70(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 K 0.16 Q 0.1 M 0.09 W 0.09 R 0.06 H 0.05 E 0.03 P 0.02 I 0.01 C Shift Assignments>> C :: 180.76(D) CA :: 60.13(D) CB :: 33.16(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 :: 9.581(D) HA :: 4.906(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.72(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>> T 0.95 V 0.04 C Shift Assignments>> C :: 177.94(D) CA :: 76.57(A) CB :: 22.79(S) 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 :: 11.614(S) HA :: 7.605(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 :: 119.90(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>> I 0.23 W 0.21 E 0.11 K 0.1 H 0.08 R 0.08 Q 0.07 V 0.05 M 0.01 P 0.01 C Shift Assignments>> C :: 181.08(D) CA :: 60.50(D) CB :: 29.33(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 :: 10.234(D) HA :: 4.875(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 :: 127.13(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 0.52 A 0.42 I 0.04 C Shift Assignments>> C :: 179.96(D) CA :: 55.35(D) CB :: 18.49(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.595(D) HA :: 4.347(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.86(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 0.3 P 0.25 W 0.13 I 0.13 R 0.04 E 0.04 H 0.03 K 0.02 Q 0.01 M 0.01 HN Overlap>> 1.S120 1.S120 C Shift Assignments>> C :: 175.06(D) CA :: 62.04(D) CB :: 30.64(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 :: 7.625(D) HA :: 3.904(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 :: 112.32(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 0.71 L 0.17 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.98(D) CA :: 44.85(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.537(D) HA2 :: 3.989(D) HA3 :: 3.530(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.55(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>> V 0.44 P 0.41 W 0.05 I 0.01 K 0.01 R 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 176.55(D) CA :: 62.48(D) CB :: 31.95(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.836(D) HA :: 3.282(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 :: 120.27(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 0.18 R 0.18 W 0.14 E 0.13 Q 0.13 M 0.11 K 0.08 C Shift Assignments>> C :: 176.61(D) CA :: 55.64(D) CB :: 30.69(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 :: 9.390(D) HA :: 4.695(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 :: 129.51(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>> F 0.31 Y 0.27 L 0.11 K 0.11 I 0.08 D 0.07 C Shift Assignments>> C :: 180.87(D) CA :: 58.18(D) CB :: 40.76(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 :: 8.491(D) HA :: 3.703(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 :: 125.15(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 :: 177.83(D) CA :: 61.56(D) CB :: 61.88(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.582(D) HA :: 4.772(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 :: 114.36(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 HN Overlap>> 1.Y115 1.Y115 1.L27 1.L27 C Shift Assignments>> C :: 176.00(D) CA :: 61.66(D) CB :: 61.66(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.759(D) HA :: 4.507(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.40(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 0.67 Y 0.15 F 0.11 E 0.02 V 0.02 HN Overlap>> 1.T77 1.T77 C Shift Assignments>> C :: 180.63(D) CA :: 62.17(D) CB :: 37.54(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 :: 8.380(D) HA :: 3.989(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 :: 117.11(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: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.72(D) CA :: 61.64(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>> H :: 8.328(D) HA :: 4.766(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 :: 121.98(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 S 0.02 C Shift Assignments>> C :: 178.60(D) CA :: 64.82(D) CB :: 66.56(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 :: 7.221(D) HA :: 3.779(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.18(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 0.61 P 0.21 I 0.15 C Shift Assignments>> C :: 176.62(D) CA :: 66.52(D) CB :: 30.54(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 :: 7.508(D) HA :: 2.772(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 :: 121.63(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>> P 0.53 G 0.19 A 0.16 N 0.06 D 0.01 L 0.01 C Shift Assignments>> C :: 175.25(D) CA :: 48.44(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.191(D) HA2 :: 3.707(D) HA3 :: 2.491(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.74(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>> W 0.2 E 0.15 K 0.13 I 0.11 Q 0.11 H 0.11 R 0.1 M 0.02 V 0.02 C Shift Assignments>> C :: 180.20(D) CA :: 59.34(D) CB :: 29.33(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 :: 7.333(D) HA :: 3.915(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 :: 119.76(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 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 174.92(D) CA :: 62.57(D) CB :: 62.57(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.681(D) HA :: 3.869(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 :: 117.54(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 0.26 F 0.23 Y 0.18 L 0.13 R 0.06 D 0.05 I 0.05 HN Overlap>> 1.F125 1.F125 C Shift Assignments>> C :: 177.68(D) CA :: 58.42(D) CB :: 41.72(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 :: 8.431(D) HA :: 3.707(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 :: 125.67(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 0.33 Y 0.28 I 0.1 L 0.1 K 0.1 D 0.06 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 178.78(D) CA :: 58.44(D) CB :: 40.71(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 :: 7.734(D) HA :: 3.796(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 :: 117.52(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 0.59 Y 0.2 F 0.17 E 0.01 HN Overlap>> 1.S105 1.S105 C Shift Assignments>> C :: 176.37(D) CA :: 61.64(D) CB :: 38.44(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 :: 7.754(D) HA :: 4.018(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 :: 120.50(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>> K 0.16 W 0.16 R 0.14 V 0.13 H 0.11 E 0.11 M 0.1 Q 0.04 C Shift Assignments>> C :: 178.83(D) CA :: 59.13(D) CB :: 31.93(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 :: 8.177(D) HA :: 3.604(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 :: 119.97(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 0.27 F 0.18 L 0.18 Y 0.13 R 0.11 D 0.07 I 0.02 C Shift Assignments>> C :: 177.42(D) CA :: 57.68(D) CB :: 41.98(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 :: 7.988(D) HA :: 3.369(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 :: 121.85(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>> W 0.2 I 0.16 E 0.14 K 0.13 H 0.1 Q 0.1 R 0.09 V 0.03 M 0.01 C Shift Assignments>> C :: 179.74(D) CA :: 59.81(D) CB :: 29.24(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 :: 7.745(D) HA :: 3.228(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 :: 121.21(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>> R 0.16 W 0.14 H 0.14 M 0.14 K 0.14 E 0.13 Q 0.07 V 0.03 C Shift Assignments>> C :: 178.70(D) CA :: 57.53(D) CB :: 31.49(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 :: 7.947(D) HA :: 3.824(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 :: 118.23(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 HN Overlap>> 1.V99 1.V99 C Shift Assignments>> C :: 176.26(D) CA :: 60.46(D) CB :: 63.55(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.681(D) HA :: 4.212(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 :: 112.32(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 0.35 R 0.27 G 0.2 D 0.06 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 179.25(D) CA :: 55.68(D) CB :: 44.12(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.139(D) HA :: 4.380(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 :: 118.61(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 0.88 L 0.08 HN Overlap>> 1.S17 1.S17 C Shift Assignments>> CA :: 45.46(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.101(D) HA2 :: 4.204(D) HA3 :: 3.758(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.87(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 0.5 V 0.46 W 0.01 I 0.01 C Shift Assignments>> C :: 177.26(D) CA :: 64.23(D) CB :: 32.00(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 :: 4.420(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 0.27 L 0.19 F 0.18 Y 0.16 N 0.09 K 0.05 I 0.01 C Shift Assignments>> C :: 176.87(D) CA :: 55.57(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 :: 7.591(D) HA :: 4.777(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 :: 116.32(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 0.33 Y 0.2 F 0.13 M 0.1 N 0.09 I 0.04 K 0.02 D 0.01 HN Overlap>> 1.L113 1.L113 C Shift Assignments>> C :: 173.79(D) CA :: 56.32(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 :: 8.496(D) HA :: 4.801(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 :: 125.72(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>> CA :: 60.24(D) CB :: 68.75(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 :: 7.231(D) HA :: 4.609(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 :: 114.26(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 0.68 P 0.27 I 0.03 C Shift Assignments>> C :: 179.06(D) CA :: 66.41(D) CB :: 31.56(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 :: 4.775(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>> A 0.47 M 0.47 I 0.03 C Shift Assignments>> C :: 180.75(D) CA :: 55.18(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 :: 8.275(D) HA :: 4.119(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.33(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 :: 175.47(D) CA :: 67.82(D) CB :: 68.11(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 :: 7.807(D) HA :: 4.252(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 :: 119.25(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>> W 0.22 I 0.15 E 0.13 R 0.1 H 0.09 K 0.09 Q 0.08 V 0.06 M 0.02 C Shift Assignments>> C :: 178.65(D) CA :: 60.22(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 :: 8.074(D) HA :: 3.676(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 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 176.21(D) CA :: 66.91(D) CB :: 68.83(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 :: 8.521(D) HA :: 3.862(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 :: 117.37(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 0.63 A 0.29 I 0.06 C Shift Assignments>> C :: 179.94(D) CA :: 55.81(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 :: 4.026(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.43(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 0.4 W 0.15 V 0.15 P 0.08 E 0.04 R 0.04 K 0.03 H 0.03 Q 0.02 C Shift Assignments>> C :: 178.95(D) CA :: 62.18(D) CB :: 29.56(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 :: 8.357(D) HA :: 4.044(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 :: 118.64(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 C Shift Assignments>> C :: 177.98(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 :: 8.729(D) HA :: 4.390(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 :: 115.66(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R135 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.35 Y 0.34 I 0.11 L 0.07 D 0.07 N 0.01 K 0.01 C Shift Assignments>> C :: 175.23(D) CA :: 58.01(D) CB :: 39.84(S) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.153(D) HA :: 4.418(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 :: 123.54(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>> K 0.26 F 0.23 Y 0.18 L 0.13 R 0.06 D 0.05 I 0.05 C Shift Assignments>> C :: 178.13(D) CA :: 58.40(D) CB :: 41.69(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 :: 8.189(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 :: 122.56(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 0.79 Y 0.1 F 0.09 C Shift Assignments>> C :: 177.28(D) CA :: 63.37(D) CB :: 38.45(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 :: 9.262(D) HA :: 3.888(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 :: 118.83(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 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 176.26(D) CA :: 47.37(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.302(D) HA2 :: 3.981(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 :: 105.08(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 0.55 A 0.39 I 0.04 C Shift Assignments>> C :: 180.95(D) CA :: 55.35(D) CB :: 18.29(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.807(D) HA :: 4.264(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.54(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 0.71 P 0.22 I 0.05 C Shift Assignments>> C :: 178.25(D) CA :: 66.71(D) CB :: 31.23(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.015(D) HA :: 3.616(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 :: 122.35(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 0.74 P 0.19 I 0.04 HN Overlap>> 1.V68 1.V68 C Shift Assignments>> C :: 178.65(D) CA :: 66.88(D) CB :: 31.30(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.524(D) HA :: 3.728(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 :: 120.03(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>> I 0.24 W 0.17 K 0.13 E 0.11 Q 0.1 R 0.08 H 0.08 L 0.01 V 0.01 M 0.01 P 0.01 C Shift Assignments>> C :: 179.69(D) CA :: 59.73(D) CB :: 28.42(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 :: 8.461(D) HA :: 4.138(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 :: 121.88(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 0.32 L 0.04 V 0.03 I 0.03 T 0.01 C Shift Assignments>> C :: 180.54(D) CA :: 55.60(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 :: 7.646(D) HA :: 4.452(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.80(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>> V 0.25 E 0.16 K 0.11 I 0.11 Q 0.1 M 0.09 Y 0.06 F 0.02 W 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 180.88(D) CA :: 60.21(D) CB :: 34.91(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 :: 8.752(D) HA :: 4.941(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 :: 116.82(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 :: 177.05(D) CA :: 62.84(D) CB :: 63.40(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.423(D) HA :: 4.954(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 :: 114.42(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>> W 0.2 E 0.17 R 0.15 H 0.14 Q 0.1 K 0.06 M 0.05 V 0.04 I 0.03 C Shift Assignments>> C :: 179.57(D) CA :: 58.84(D) CB :: 30.41(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 :: 7.877(D) HA :: 4.702(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 :: 124.14(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 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 173.85(D) CA :: 47.09(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.582(D) HA2 :: 4.423(D) HA3 :: 4.507(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.24(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>> V 0.2 W 0.2 E 0.1 R 0.1 H 0.08 I 0.07 P 0.06 K 0.05 Q 0.04 M 0.03 C Shift Assignments>> C :: 176.10(D) CA :: 60.66(D) CB :: 30.86(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 :: 8.592(D) HA :: 4.904(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.50(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 0.26 D 0.23 K 0.2 F 0.1 Y 0.07 R 0.06 N 0.03 C Shift Assignments>> C :: 176.95(D) CA :: 55.29(D) CB :: 41.74(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 :: 7.901(D) HA :: 4.963(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 :: 120.43(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 0.89 L 0.08 C Shift Assignments>> C :: 173.72(D) CA :: 45.62(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.571(D) HA2 :: 4.255(D) HA3 :: 4.064(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.65(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>> W 0.17 R 0.16 E 0.14 H 0.13 K 0.12 M 0.1 Q 0.07 V 0.06 I 0.01 C Shift Assignments>> CA :: 58.50(D) CB :: 31.29(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.212(D) HA :: 4.256(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 :: 126.23(D) Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 143 #Suspicious: 3 #Anomalous: 0 #Mistyped: 4 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 4 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 420 #Unknown: 0 #Suspicious: 4 #Anomalous: 3 H Shift Results: #Consistent: 0 #Duplicate: 291 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 N Shift Results: #Consistent: 0 #Duplicate: 140 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E2 C = 177.12(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9799e-01 1.E2 CA = 55.91(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9990e-01 1.E2 CB = 31.05(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.4541e-01 1.E2 HA = 4.384(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.4380e-01 1.R3 CA = 56.01(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.4215e-01 1.R3 H = 8.865(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0556e-01 1.R3 HA = 4.377(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.6706e-01 1.R3 N = 123.05(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.4093e-01 1.P4 HA = 4.501(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.5956e-01 1.E5 C = 178.04(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.4851e-01 1.E5 CA = 59.66(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6288e-01 1.E5 CB = 29.51(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7128e-01 1.E5 H = 8.918(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.1895e-01 1.E5 HA = 4.375(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.6046e-01 1.E5 N = 123.04(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9585e-01 1.S6 C = 176.44(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.8999e-01 1.S6 CA = 62.01(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.1198e-01 1.S6 CB = 62.01(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.2649e-01 1.S6 H = 8.203(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9616e-01 1.S6 HA = 3.817(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.7418e-02 1.S6 N = 115.92(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1854e-01 1.E7 C = 178.87(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0506e-01 1.E7 CA = 59.93(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1174e-01 1.E7 CB = 29.52(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7573e-01 1.E7 H = 7.897(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6301e-01 1.E7 HA = 4.160(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.2625e-01 1.E7 N = 121.51(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0926e-01 1.L8 C = 181.99(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1562e-02 1.L8 CA = 57.74(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1959e-01 1.L8 CB = 41.45(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.4735e-01 1.L8 H = 7.507(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6601e-01 1.L8 HA = 4.168(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.4639e-01 1.L8 N = 118.40(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7498e-01 1.I9 C = 177.25(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.6590e-01 1.I9 CA = 63.93(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.8667e-01 1.I9 CB = 36.88(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.8631e-01 1.I9 H = 7.776(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.5859e-01 1.I9 HA = 3.373(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.4956e-01 1.I9 N = 121.62(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.7018e-01 1.R10 C = 179.97(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.9483e-02 1.R10 CA = 61.20(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.5143e-02 1.R10 CB = 30.68(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9128e-01 1.R10 H = 8.300(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2165e-01 1.R10 HA = 3.862(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.4101e-01 1.R10 N = 118.94(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.1325e-01 1.Q11 C = 178.72(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.1650e-01 1.Q11 CA = 59.04(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.4842e-01 1.Q11 CB = 28.46(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.8835e-01 1.Q11 H = 8.669(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.4665e-01 1.Q11 HA = 4.145(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.7634e-01 1.Q11 N = 116.57(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.5641e-01 1.S12 C = 176.87(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.9083e-01 1.S12 CA = 60.77(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.2201e-01 1.S12 CB = 64.19(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.9215e-01 1.S12 H = 7.773(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.9016e-01 1.S12 HA = 4.493(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.7407e-01 1.S12 N = 113.21(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8312e-01 1.W13 C = 177.88(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.8124e-01 1.W13 CA = 58.67(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.9545e-01 1.W13 CB = 31.37(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.9865e-01 1.W13 H = 9.096(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.0761e-01 1.W13 HA = 4.782(D), Expected = 4.68, Std = 0.5300, ChiSquare = 8.4739e-01 1.W13 N = 123.58(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.4944e-01 1.R14 C = 178.22(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.7259e-01 1.R14 CA = 59.55(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.2880e-01 1.R14 CB = 30.10(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.4301e-01 1.R14 H = 7.841(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1305e-01 1.R14 HA = 3.878(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.5894e-01 1.R14 N = 117.90(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.3067e-01 1.V15 C = 178.59(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.1802e-01 1.V15 CA = 66.11(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0561e-01 1.V15 CB = 32.04(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.9989e-01 1.V15 H = 7.005(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5122e-02 1.V15 HA = 3.554(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.7284e-01 1.V15 N = 116.74(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3246e-01 1.V16 C = 177.77(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5781e-01 1.V16 CA = 64.49(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8436e-01 1.V16 CB = 31.41(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.6086e-01 1.V16 H = 6.831(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9435e-02 1.V16 HA = 2.791(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.5862e-02 1.V16 N = 119.63(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3944e-01 1.S17 C = 174.32(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.6154e-01 1.S17 CA = 60.54(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.7928e-01 1.S17 CB = 62.62(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.2528e-01 1.S17 H = 8.000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.3509e-01 1.S17 HA = 4.780(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.5325e-01 1.S17 N = 111.90(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.1338e-01 1.R18 C = 177.65(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.4131e-01 1.R18 CA = 58.22(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.3020e-01 1.R18 CB = 30.81(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.5207e-01 1.R18 H = 6.940(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.3077e-02 1.R18 HA = 4.178(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.9084e-01 1.R18 N = 119.57(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3820e-01 1.S19 CA = 55.16(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5468e-02 1.S19 CB = 62.81(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.0355e-01 1.S19 H = 7.517(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9593e-01 1.S19 HA = 4.012(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.4200e-01 1.S19 N = 110.32(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0421e-02 1.P20 C = 179.40(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.9265e-02 1.P20 CA = 66.06(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.2486e-02 1.P20 CB = 32.19(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7324e-01 1.P20 HA = 4.775(D), Expected = 4.40, Std = 0.3300, ChiSquare = 2.5580e-01 1.L21 C = 179.90(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.4164e-01 1.L21 CA = 58.38(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9505e-01 1.L21 CB = 41.30(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.9111e-01 1.L21 H = 8.342(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6320e-01 1.L21 HA = 4.389(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8328e-01 1.L21 N = 119.45(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3661e-01 1.E22 C = 180.01(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0734e-01 1.E22 CA = 60.29(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5530e-01 1.E22 CB = 29.02(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.6490e-01 1.E22 H = 8.623(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1946e-01 1.E22 HA = 4.184(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.7211e-01 1.E22 N = 122.24(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5188e-01 1.H23 C = 178.36(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.1441e-01 1.H23 CA = 60.61(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.6634e-02 1.H23 CB = 30.08(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.3839e-01 1.H23 H = 7.703(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.2970e-01 1.H23 HA = 4.473(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.5003e-01 1.H23 N = 117.94(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.6175e-01 1.G24 C = 176.48(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.6505e-01 1.G24 CA = 48.16(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.5992e-02 1.G24 H = 9.174(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9413e-01 1.G24 HA2 = 4.214(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.0960e-01 1.G24 HA3 = 4.214(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.9608e-01 1.G24 N = 109.82(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6908e-01 1.T25 C = 176.33(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.0913e-01 1.T25 CA = 68.44(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6326e-02 1.T25 CB = 68.80(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.6830e-01 1.T25 H = 8.645(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.1361e-01 1.T25 HA = 4.439(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.6510e-01 1.T25 N = 118.02(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8413e-01 1.V26 C = 178.50(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.2957e-01 1.V26 CA = 66.74(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3728e-01 1.V26 CB = 31.59(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.2421e-01 1.V26 H = 7.372(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7064e-01 1.V26 HA = 3.811(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.1347e-01 1.V26 N = 124.12(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1157e-01 1.L27 C = 179.10(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.8658e-01 1.L27 CA = 60.15(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3440e-02 1.L27 CB = 42.34(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8727e-01 1.L27 H = 7.685(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0177e-01 1.L27 HA = 3.711(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9506e-01 1.L27 N = 120.34(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9673e-01 1.F28 C = 176.13(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.2125e-01 1.F28 CA = 63.54(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.3627e-02 1.F28 CB = 38.99(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.3232e-01 1.F28 H = 8.437(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.1483e-01 1.F28 HA = 3.525(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.2551e-02 1.F28 N = 116.30(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.2080e-01 1.A29 C = 181.37(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.8339e-02 1.A29 CA = 55.55(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2354e-01 1.A29 CB = 17.84(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.2260e-01 1.A29 H = 8.740(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6812e-01 1.A29 HA = 4.222(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3118e-01 1.A29 N = 122.14(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5815e-01 1.R30 C = 176.84(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.3225e-01 1.R30 CA = 56.79(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.9309e-01 1.R30 CB = 29.40(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.7747e-01 1.R30 H = 7.734(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0682e-01 1.R30 HA = 3.825(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.0179e-01 1.R30 N = 119.63(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.5053e-01 1.L31 C = 178.42(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7016e-01 1.L31 CA = 58.29(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1002e-01 1.L31 CB = 42.01(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7322e-01 1.L31 H = 7.910(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.2250e-01 1.L31 HA = 3.433(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9129e-02 1.L31 N = 121.58(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4277e-01 1.F32 C = 177.83(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.2587e-01 1.F32 CA = 57.45(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.0635e-01 1.F32 CB = 37.89(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.1500e-01 1.F32 H = 7.732(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8309e-01 1.F32 HA = 4.313(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.7811e-01 1.F32 N = 113.46(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.4475e-02 1.A33 C = 180.03(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8232e-01 1.A33 CA = 54.40(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2454e-01 1.A33 CB = 18.08(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1132e-01 1.A33 H = 7.373(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6810e-01 1.A33 HA = 4.096(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.0935e-01 1.A33 N = 121.55(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3509e-01 1.L34 C = 178.23(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3114e-01 1.L34 CA = 56.39(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.1772e-01 1.L34 CB = 43.31(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.9478e-01 1.L34 H = 7.625(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.5197e-01 1.L34 HA = 4.004(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.0137e-01 1.L34 N = 117.43(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5600e-01 1.E35 CA = 54.33(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5254e-01 1.E35 CB = 30.98(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.7279e-01 1.E35 H = 8.450(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3883e-01 1.E35 HA = 4.487(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.6323e-01 1.E35 N = 120.50(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6104e-01 1.P36 C = 178.47(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.5467e-01 1.P36 CA = 66.77(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.3626e-02 1.P36 CB = 31.55(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.9931e-01 1.P36 HA = 4.370(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.2757e-01 1.S37 C = 174.93(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.5697e-01 1.S37 CA = 59.75(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.1878e-01 1.S37 CB = 61.96(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.1378e-01 1.S37 H = 7.723(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4514e-01 1.S37 HA = 3.971(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.0320e-01 1.S37 N = 111.24(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.5220e-01 1.L38 C = 177.71(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.1613e-01 1.L38 CA = 55.82(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.2519e-01 1.L38 CB = 43.32(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.9111e-01 1.L38 H = 7.530(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8151e-01 1.L38 HA = 3.570(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.1055e-01 1.L38 N = 121.06(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.3747e-01 1.L39 CA = 59.89(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4996e-02 1.L39 CB = 39.46(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2953e-01 1.L39 H = 7.119(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7408e-02 1.L39 HA = 3.775(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.4622e-01 1.L39 N = 119.10(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7914e-01 1.P40 C = 175.91(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.7801e-01 1.P40 CA = 64.71(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.6393e-01 1.P40 CB = 31.41(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.0924e-01 1.P40 HA = 5.092(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.5996e-02 1.L41 C = 176.72(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9153e-01 1.L41 CA = 54.91(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3888e-01 1.L41 CB = 39.95(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.0936e-01 1.L41 H = 6.615(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2969e-02 1.L41 HA = 3.278(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6622e-02 1.L41 N = 113.95(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2539e-02 1.F42 C = 173.82(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.2139e-01 1.F42 CA = 57.62(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.5795e-01 1.F42 CB = 38.82(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.7561e-01 1.F42 H = 6.849(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.5851e-02 1.F42 HA = 3.587(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.7276e-02 1.F42 N = 116.44(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.3739e-01 1.Q43 C = 174.75(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.2371e-01 1.Q43 CA = 54.18(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.6407e-01 1.Q43 CB = 29.42(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.9944e-01 1.Q43 H = 7.221(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.0414e-02 1.Q43 HA = 4.466(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.5599e-01 1.Q43 N = 123.45(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.2272e-01 1.Y44 CA = 57.81(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.9855e-01 1.Y44 CB = 39.98(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.5994e-01 1.Y44 H = 7.961(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.2287e-01 1.Y44 HA = 4.855(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.8784e-01 1.Y44 N = 123.06(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.4534e-01 1.N45 C = 175.36(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.5990e-01 1.N45 CA = 54.49(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.1333e-01 1.N45 CB = 37.97(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.7008e-01 1.N45 HA = 4.778(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.6418e-01 1.G46 C = 173.90(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8727e-01 1.G46 CA = 45.86(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0350e-01 1.G46 H = 8.552(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3270e-01 1.G46 HA2 = 4.035(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.6055e-01 1.G46 HA3 = 3.600(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.1747e-01 1.G46 N = 104.41(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7409e-01 1.R47 C = 174.96(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.7505e-01 1.R47 CA = 55.05(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.5652e-01 1.R47 CB = 32.62(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.9410e-01 1.R47 H = 7.610(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0170e-01 1.R47 HA = 4.532(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.1402e-01 1.R47 N = 120.20(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7048e-01 1.Q48 C = 176.49(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.2645e-01 1.Q48 CA = 53.98(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.2617e-01 1.Q48 CB = 31.14(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8398e-01 1.Q48 H = 8.353(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.2165e-01 1.Q48 HA = 4.295(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.5469e-01 1.Q48 N = 121.45(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6477e-01 1.F49 C = 176.58(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.5995e-01 1.F49 CA = 56.92(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.5173e-01 1.F49 CB = 39.61(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.5573e-01 1.F49 H = 9.428(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.3799e-01 1.F49 HA = 4.912(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.2079e-01 1.F49 N = 123.37(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.8482e-01 1.S50 C = 174.18(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9809e-01 1.S50 CA = 59.87(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.7851e-01 1.S50 CB = 63.96(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1391e-01 1.S50 H = 9.648(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.0414e-02 1.S50 HA = 4.366(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.7564e-01 1.S50 N = 117.53(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.2250e-01 1.S51 CA = 56.27(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.3658e-01 1.S51 CB = 64.07(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5524e-01 1.S51 H = 7.716(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.3911e-01 1.S51 HA = 4.760(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.8393e-01 1.S51 N = 114.34(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8154e-01 1.P52 C = 178.94(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.4697e-01 1.P52 CA = 65.32(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.9046e-01 1.P52 CB = 32.11(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.2561e-01 1.P52 HA = 4.760(D), Expected = 4.40, Std = 0.3300, ChiSquare = 2.7531e-01 1.E53 C = 178.86(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0749e-01 1.E53 CA = 60.58(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.1880e-01 1.E53 CB = 28.49(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.7685e-01 1.E53 H = 8.971(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7728e-01 1.E53 HA = 3.903(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.9736e-01 1.E53 N = 118.99(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.2927e-01 1.D54 C = 178.59(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.1078e-01 1.D54 CA = 56.91(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7413e-01 1.D54 CB = 41.93(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.1689e-01 1.D54 H = 7.683(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.7968e-01 1.D54 HA = 4.385(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.2177e-01 1.D54 N = 119.96(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5813e-01 1.S55 C = 174.98(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3421e-01 1.S55 CA = 61.80(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3677e-01 1.S55 CB = 62.10(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.5070e-01 1.S55 H = 7.053(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7557e-02 1.S55 HA = 2.331(S), Expected = 4.48, Std = 0.4000, ChiSquare = 7.7652e-08 1.S55 N = 115.21(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6115e-01 1.L56 C = 177.18(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.2355e-01 1.L56 CA = 56.56(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.5899e-01 1.L56 CB = 41.13(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3023e-01 1.L56 H = 6.849(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3619e-02 1.L56 HA = 4.395(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.7322e-01 1.L56 N = 117.63(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7809e-01 1.S57 C = 174.61(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.9536e-01 1.S57 CA = 58.12(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.7193e-01 1.S57 CB = 64.53(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.2184e-01 1.S57 H = 7.488(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.7947e-01 1.S57 HA = 4.829(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.8294e-01 1.S57 N = 111.00(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.3361e-01 1.S58 CA = 54.71(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.2721e-02 1.S58 CB = 64.43(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.7034e-01 1.S58 H = 7.756(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7447e-01 1.S58 HA = 5.465(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.3797e-02 1.S58 N = 119.41(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7389e-01 1.P59 C = 180.39(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.5926e-02 1.P59 CA = 65.62(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.3192e-01 1.P59 CB = 32.48(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.9341e-01 1.P59 HA = 4.655(D), Expected = 4.40, Std = 0.3300, ChiSquare = 4.3968e-01 1.E60 C = 180.82(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.2802e-02 1.E60 CA = 61.65(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8287e-02 1.E60 CB = 28.01(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.4491e-01 1.E60 H = 9.533(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1452e-02 1.E60 HA = 4.655(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.2325e-01 1.E60 N = 120.07(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6311e-01 1.F61 C = 181.29(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.1803e-03 1.F61 CA = 63.80(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.6036e-02 1.F61 CB = 41.38(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.0600e-01 1.F61 H = 9.029(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.5280e-01 1.F61 HA = 6.345(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.6231e-03 1.F61 N = 124.74(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.0474e-01 1.L62 C = 180.60(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.8268e-02 1.L62 CA = 59.27(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6600e-02 1.L62 CB = 41.72(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5365e-01 1.L62 H = 9.547(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2749e-02 1.L62 HA = 5.000(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.4795e-01 1.L62 N = 122.50(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6965e-01 1.D63 C = 181.08(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.4889e-03 1.D63 CA = 58.71(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.7670e-02 1.D63 CB = 41.46(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.2032e-01 1.D63 H = 9.361(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9976e-02 1.D63 HA = 5.428(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.8253e-03 1.D63 N = 120.96(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.3599e-01 1.H64 Typing: Mistyped 1.H64 C = 179.80(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.0908e-02 1.H64 CA = 89.79(A), Expected = 56.52, Std = 2.3100, ChiSquare = 4.9835e-47 1.H64 CB = 66.17(A), Expected = 30.24, Std = 2.0700, ChiSquare = 1.7313e-67 1.H64 H = 10.610(S), Expected = 8.24, Std = 0.6800, ChiSquare = 4.9160e-04 1.H64 HA = 7.956(S), Expected = 4.61, Std = 0.4300, ChiSquare = 7.1729e-15 1.H64 N = 122.53(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.7770e-01 1.I65 C = 178.97(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.0416e-01 1.I65 CA = 69.39(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6962e-03 1.I65 CB = 37.55(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.9289e-01 1.I65 H = 10.366(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1575e-03 1.I65 HA = 5.255(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.4903e-02 1.I65 N = 123.63(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.1215e-01 1.R66 C = 179.36(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.4617e-01 1.R66 CA = 60.77(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3345e-02 1.R66 CB = 30.16(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6793e-01 1.R66 H = 8.943(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.4913e-01 1.R66 HA = 4.029(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.5577e-01 1.R66 N = 119.94(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1522e-01 1.K67 C = 177.34(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.2634e-01 1.K67 CA = 59.69(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1296e-01 1.K67 CB = 30.46(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.9054e-01 1.K67 H = 8.722(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7526e-01 1.K67 HA = 2.974(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.2248e-03 1.K67 N = 119.10(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0499e-01 1.V68 C = 177.60(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9736e-01 1.V68 CA = 64.83(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1325e-01 1.V68 CB = 34.63(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8848e-01 1.V68 H = 8.438(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2517e-01 1.V68 HA = 2.804(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.6864e-02 1.V68 N = 120.08(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1539e-01 1.M69 C = 179.44(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.1880e-01 1.M69 CA = 56.73(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.8099e-01 1.M69 CB = 29.97(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.7759e-01 1.M69 H = 7.963(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.2060e-01 1.M69 HA = 4.345(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.9228e-01 1.M69 N = 114.81(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.3914e-01 1.L70 C = 179.98(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.3102e-01 1.L70 CA = 57.43(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9546e-01 1.L70 CB = 41.60(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.0568e-01 1.L70 H = 7.662(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8220e-01 1.L70 HA = 4.000(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.9597e-01 1.L70 N = 121.29(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8380e-01 1.V71 C = 177.51(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.1986e-01 1.V71 CA = 66.35(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7713e-01 1.V71 CB = 30.19(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.5590e-01 1.V71 H = 6.898(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7745e-02 1.V71 HA = 3.092(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.8344e-02 1.V71 N = 122.32(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9493e-01 1.I72 C = 177.22(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.7551e-01 1.I72 CA = 64.71(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.4739e-01 1.I72 CB = 35.33(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.0233e-01 1.I72 H = 7.432(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1238e-01 1.I72 HA = 3.201(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.0427e-02 1.I72 N = 118.31(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.6174e-01 1.D73 C = 178.19(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.0638e-01 1.D73 CA = 58.19(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4683e-02 1.D73 CB = 43.48(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.0851e-01 1.D73 H = 8.278(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5600e-01 1.D73 HA = 3.956(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.7563e-02 1.D73 N = 118.96(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6151e-01 1.A74 C = 180.24(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.4051e-01 1.A74 CA = 55.06(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3220e-01 1.A74 CB = 17.17(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.1467e-01 1.A74 H = 7.667(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.7436e-01 1.A74 HA = 3.909(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.2503e-01 1.A74 N = 122.38(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1024e-01 1.A75 C = 177.47(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.9913e-01 1.A75 CA = 55.17(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0524e-01 1.A75 CB = 16.87(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.4224e-01 1.A75 H = 7.934(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5752e-01 1.A75 HA = 3.609(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.3899e-01 1.A75 N = 123.62(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1228e-01 1.V76 C = 180.06(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.9447e-02 1.V76 CA = 66.78(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3361e-01 1.V76 CB = 31.09(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5956e-01 1.V76 H = 8.007(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7274e-01 1.V76 HA = 2.908(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.7081e-02 1.V76 N = 116.62(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1945e-01 1.T77 C = 175.20(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.0766e-01 1.T77 CA = 66.56(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3802e-02 1.T77 CB = 68.90(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.1061e-01 1.T77 H = 8.456(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2755e-01 1.T77 HA = 3.775(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.5356e-01 1.T77 N = 117.19(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.0942e-01 1.N78 C = 175.03(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.9334e-01 1.N78 CA = 53.74(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.1528e-01 1.N78 CB = 39.18(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.7186e-01 1.N78 H = 7.361(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.2019e-01 1.N78 HA = 4.789(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.4098e-01 1.N78 N = 117.88(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.9444e-01 1.V79 C = 174.96(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.2831e-01 1.V79 CA = 65.38(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.1226e-01 1.V79 CB = 31.06(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5084e-01 1.V79 H = 6.834(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9770e-02 1.V79 HA = 4.116(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.9848e-01 1.V79 N = 120.11(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2052e-01 1.E80 C = 177.22(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5756e-01 1.E80 CA = 58.18(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8072e-01 1.E80 CB = 29.52(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7573e-01 1.E80 H = 8.130(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3462e-01 1.E80 HA = 4.130(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.6976e-01 1.E80 N = 117.45(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5482e-01 1.D81 C = 176.04(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.3701e-01 1.D81 CA = 54.26(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3225e-01 1.D81 CB = 40.30(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.2032e-01 1.D81 H = 7.917(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.9803e-01 1.D81 HA = 4.638(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.8076e-01 1.D81 N = 116.55(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8816e-01 1.L82 C = 179.58(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9085e-01 1.L82 CA = 56.54(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.6580e-01 1.L82 CB = 42.23(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.6606e-01 1.L82 H = 8.950(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6799e-01 1.L82 HA = 4.095(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.3214e-01 1.L82 N = 127.71(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3361e-01 1.S83 C = 177.43(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.0232e-01 1.S83 CA = 62.44(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2320e-02 1.S83 CB = 62.44(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.5814e-01 1.S83 H = 8.528(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7424e-01 1.S83 HA = 4.778(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.5627e-01 1.S83 N = 117.29(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7416e-01 1.S84 C = 175.43(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.3769e-01 1.S84 CA = 60.78(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1965e-01 1.S84 CB = 63.03(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0288e-01 1.S84 H = 8.087(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.4358e-01 1.S84 HA = 4.296(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.4552e-01 1.S84 N = 117.45(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3960e-01 1.L85 C = 177.05(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.7583e-01 1.L85 CA = 54.18(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9901e-01 1.L85 CB = 43.76(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.4054e-01 1.L85 H = 7.880(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9026e-01 1.L85 HA = 4.625(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.1638e-01 1.L85 N = 120.56(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3888e-01 1.E86 C = 178.45(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.1779e-01 1.E86 CA = 61.98(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5770e-02 1.E86 CB = 30.32(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.5697e-01 1.E86 H = 7.537(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7893e-01 1.E86 HA = 3.862(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.4397e-01 1.E86 N = 121.15(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9030e-01 1.E87 C = 179.38(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.9803e-01 1.E87 CA = 60.32(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5117e-01 1.E87 CB = 29.02(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.6490e-01 1.E87 H = 8.871(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5917e-01 1.E87 HA = 4.187(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.7788e-01 1.E87 N = 120.53(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6791e-01 1.Y88 C = 178.58(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.1005e-01 1.Y88 CA = 61.07(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.4147e-01 1.Y88 CB = 38.13(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.8168e-01 1.Y88 H = 8.517(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8727e-01 1.Y88 HA = 4.220(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.6408e-01 1.Y88 N = 122.65(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.1205e-01 1.L89 C = 180.17(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0826e-01 1.L89 CA = 58.23(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2044e-01 1.L89 CB = 41.59(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.0174e-01 1.L89 H = 9.029(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1899e-01 1.L89 HA = 4.126(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7978e-01 1.L89 N = 119.54(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5193e-01 1.T90 C = 177.37(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.0785e-01 1.T90 CA = 68.81(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.0947e-02 1.T90 CB = 68.81(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.7247e-01 1.T90 H = 9.017(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1012e-01 1.T90 HA = 4.590(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.8652e-01 1.T90 N = 119.82(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5428e-01 1.S91 C = 177.61(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.2145e-02 1.S91 CA = 62.59(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.1544e-02 1.S91 CB = 62.59(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.1360e-01 1.S91 H = 8.313(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5540e-01 1.S91 HA = 4.539(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.8274e-01 1.S91 N = 118.91(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.5497e-01 1.L92 C = 184.43(S), Expected = 176.99, Std = 1.9800, ChiSquare = 1.7157e-04 1.L92 CA = 58.57(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.6606e-01 1.L92 CB = 43.45(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.4426e-01 1.L92 H = 8.901(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0193e-01 1.L92 HA = 5.172(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.9868e-02 1.L92 N = 124.43(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0991e-01 1.G93 Typing: Mistyped 1.G93 C = 175.64(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.4645e-01 1.G93 CA = 50.62(S), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3950e-05 1.G93 H = 10.280(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6998e-03 1.G93 HA2 = 6.500(A), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0397e-12 1.G93 HA3 = 6.012(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.1424e-08 1.G93 N = 116.30(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6680e-02 1.R94 C = 180.72(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.3741e-02 1.R94 CA = 61.03(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.5161e-02 1.R94 CB = 30.39(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6548e-01 1.R94 H = 9.376(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2562e-02 1.R94 HA = 4.572(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.5432e-01 1.R94 N = 124.70(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.8924e-01 1.K95 C = 180.76(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.9399e-02 1.K95 CA = 60.13(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4833e-01 1.K95 CB = 33.16(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3533e-01 1.K95 H = 9.581(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.0431e-02 1.K95 HA = 4.906(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.4833e-01 1.K95 N = 119.72(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2425e-01 1.H96 Typing: Mistyped 1.H96 C = 177.94(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.7210e-01 1.H96 CA = 76.57(A), Expected = 56.52, Std = 2.3100, ChiSquare = 3.9698e-18 1.H96 CB = 22.79(S), Expected = 30.24, Std = 2.0700, ChiSquare = 3.1940e-04 1.H96 H = 11.614(S), Expected = 8.24, Std = 0.6800, ChiSquare = 6.9856e-07 1.H96 HA = 7.605(S), Expected = 4.61, Std = 0.4300, ChiSquare = 3.2813e-12 1.H96 N = 119.90(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.5813e-01 1.R97 C = 181.08(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1420e-02 1.R97 CA = 60.50(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0637e-01 1.R97 CB = 29.33(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.5408e-01 1.R97 H = 10.234(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0798e-03 1.R97 HA = 4.875(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.1130e-01 1.R97 N = 127.13(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.5413e-02 1.A98 C = 179.96(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.9729e-01 1.A98 CA = 55.35(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6435e-01 1.A98 CB = 18.49(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7629e-01 1.A98 H = 8.595(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1032e-01 1.A98 HA = 4.347(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.4326e-01 1.A98 N = 121.86(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9875e-01 1.V99 C = 175.06(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.6819e-01 1.V99 CA = 62.04(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7497e-01 1.V99 CB = 30.64(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.4297e-01 1.V99 H = 7.625(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.2094e-01 1.V99 HA = 3.904(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.2194e-01 1.V99 N = 112.32(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.2049e-02 1.G100 C = 173.98(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5334e-01 1.G100 CA = 44.85(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0905e-01 1.G100 H = 7.537(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.2246e-01 1.G100 HA2 = 3.989(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5905e-01 1.G100 HA3 = 3.530(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.1731e-01 1.G100 N = 105.55(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8706e-01 1.V101 C = 176.55(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.2451e-01 1.V101 CA = 62.48(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9721e-01 1.V101 CB = 31.95(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.6301e-01 1.V101 H = 7.836(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9802e-01 1.V101 HA = 3.282(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.1746e-01 1.V101 N = 120.27(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4803e-01 1.R102 C = 176.61(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.2152e-01 1.R102 CA = 55.64(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.2472e-01 1.R102 CB = 30.69(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9564e-01 1.R102 H = 9.390(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9397e-02 1.R102 HA = 4.695(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.9051e-01 1.R102 N = 129.51(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.7940e-02 1.L103 C = 180.87(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.0043e-02 1.L103 CA = 58.18(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2941e-01 1.L103 CB = 40.76(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.0967e-01 1.L103 H = 8.491(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8802e-01 1.L103 HA = 3.703(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.8926e-01 1.L103 N = 125.15(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9890e-01 1.S104 C = 177.83(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.2003e-02 1.S104 CA = 61.56(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7007e-01 1.S104 CB = 61.88(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.9453e-01 1.S104 H = 8.582(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.0875e-01 1.S104 HA = 4.772(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.6539e-01 1.S104 N = 114.36(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8544e-01 1.S105 C = 176.00(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.2236e-01 1.S105 CA = 61.66(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.5552e-01 1.S105 CB = 61.66(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.4819e-01 1.S105 H = 7.759(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7721e-01 1.S105 HA = 4.507(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.4618e-01 1.S105 N = 120.40(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.4182e-01 1.F106 C = 180.63(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.8423e-03 1.F106 CA = 62.17(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1151e-01 1.F106 CB = 37.54(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.4110e-01 1.F106 H = 8.380(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.7784e-01 1.F106 HA = 3.989(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.6077e-01 1.F106 N = 117.11(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.2427e-01 1.S107 C = 176.72(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.2211e-01 1.S107 CA = 61.64(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.5835e-01 1.S107 CB = 61.91(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.0159e-01 1.S107 H = 8.328(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3516e-01 1.S107 HA = 4.766(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.7461e-01 1.S107 N = 121.98(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.0538e-01 1.T108 C = 178.60(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.1065e-02 1.T108 CA = 64.82(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.1545e-01 1.T108 CB = 66.56(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.1801e-02 1.T108 H = 7.221(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0027e-01 1.T108 HA = 3.779(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.5597e-01 1.T108 N = 121.18(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2527e-01 1.V109 C = 176.62(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.9867e-01 1.V109 CA = 66.52(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5881e-01 1.V109 CB = 30.54(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.2115e-01 1.V109 H = 7.508(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4314e-01 1.V109 HA = 2.772(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.4492e-02 1.V109 N = 121.63(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1405e-01 1.G110 C = 175.25(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6292e-01 1.G110 CA = 48.44(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1112e-02 1.G110 H = 7.191(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9721e-02 1.G110 HA2 = 3.707(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.7720e-01 1.G110 HA3 = 2.491(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.4003e-04 1.G110 N = 107.74(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1798e-01 1.E111 C = 180.20(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7693e-02 1.E111 CA = 59.34(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3379e-01 1.E111 CB = 29.33(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9259e-01 1.E111 H = 7.333(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1060e-02 1.E111 HA = 3.915(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.1389e-01 1.E111 N = 119.76(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9371e-01 1.S112 C = 174.92(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.6154e-01 1.S112 CA = 62.57(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.2899e-02 1.S112 CB = 62.57(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0593e-01 1.S112 H = 7.681(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.0998e-01 1.S112 HA = 3.869(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.2664e-01 1.S112 N = 117.54(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.2038e-01 1.L113 C = 177.68(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.2748e-01 1.L113 CA = 58.42(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8866e-01 1.L113 CB = 41.72(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5365e-01 1.L113 H = 8.431(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5715e-01 1.L113 HA = 3.707(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9215e-01 1.L113 N = 125.67(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.2861e-01 1.L114 C = 178.78(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6597e-01 1.L114 CA = 58.44(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8552e-01 1.L114 CB = 40.71(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.9473e-01 1.L114 H = 7.734(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4542e-01 1.L114 HA = 3.796(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6490e-01 1.L114 N = 117.52(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6579e-01 1.Y115 C = 176.37(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.2595e-01 1.Y115 CA = 61.64(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.6199e-01 1.Y115 CB = 38.44(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8371e-01 1.Y115 H = 7.754(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.3814e-01 1.Y115 HA = 4.018(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.7446e-01 1.Y115 N = 120.50(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.9620e-01 1.M116 C = 178.83(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.0482e-01 1.M116 CA = 59.13(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.7565e-01 1.M116 CB = 31.93(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.3606e-01 1.M116 H = 8.177(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.8998e-01 1.M116 HA = 3.604(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.3120e-02 1.M116 N = 119.97(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.7319e-01 1.L117 C = 177.42(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2807e-01 1.L117 CA = 57.68(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3348e-01 1.L117 CB = 41.98(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6066e-01 1.L117 H = 7.988(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0966e-01 1.L117 HA = 3.369(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.3032e-02 1.L117 N = 121.85(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9795e-01 1.E118 C = 179.74(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.4108e-01 1.E118 CA = 59.81(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3350e-01 1.E118 CB = 29.24(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5439e-01 1.E118 H = 7.745(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2143e-01 1.E118 HA = 3.228(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.2678e-02 1.E118 N = 121.21(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7669e-01 1.K119 C = 178.70(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.0301e-01 1.K119 CA = 57.53(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9206e-01 1.K119 CB = 31.49(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.6518e-01 1.K119 H = 7.947(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8548e-01 1.K119 HA = 3.824(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.1076e-01 1.K119 N = 118.23(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5445e-01 1.S120 C = 176.26(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.4034e-01 1.S120 CA = 60.46(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.0058e-01 1.S120 CB = 63.55(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.6586e-01 1.S120 H = 7.681(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.0998e-01 1.S120 HA = 4.212(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.0286e-01 1.S120 N = 112.32(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.6059e-01 1.L121 C = 179.25(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.5370e-01 1.L121 CA = 55.68(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7753e-01 1.L121 CB = 44.12(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.3567e-01 1.L121 H = 8.139(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8866e-01 1.L121 HA = 4.380(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9842e-01 1.L121 N = 118.61(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0466e-01 1.G122 CA = 45.46(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3458e-01 1.G122 H = 8.101(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.2461e-01 1.G122 HA2 = 4.204(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.2710e-01 1.G122 HA3 = 3.758(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.0114e-01 1.G122 N = 111.87(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6971e-01 1.P123 C = 177.26(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.3555e-01 1.P123 CA = 64.23(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.5378e-01 1.P123 CB = 32.00(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.9885e-01 1.P123 HA = 4.420(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.5167e-01 1.D124 C = 176.87(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.8826e-01 1.D124 CA = 55.57(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6465e-01 1.D124 CB = 40.49(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.0976e-01 1.D124 H = 7.591(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1510e-01 1.D124 HA = 4.777(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.5897e-01 1.D124 N = 116.32(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.6196e-01 1.F125 C = 173.79(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.1273e-01 1.F125 CA = 56.32(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.9345e-01 1.F125 CB = 36.97(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.4846e-01 1.F125 H = 8.496(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.5018e-01 1.F125 HA = 4.801(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.6418e-01 1.F125 N = 125.72(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.0739e-01 1.T126 CA = 60.24(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.4458e-01 1.T126 CB = 68.75(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.4769e-01 1.T126 H = 7.231(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0365e-01 1.T126 HA = 4.609(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.5624e-01 1.T126 N = 114.26(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.0707e-01 1.P127 C = 179.06(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.2607e-01 1.P127 CA = 66.41(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.2732e-02 1.P127 CB = 31.56(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.0587e-01 1.P127 HA = 4.775(D), Expected = 4.40, Std = 0.3300, ChiSquare = 2.5580e-01 1.A128 C = 180.75(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.5761e-01 1.A128 CA = 55.18(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0287e-01 1.A128 CB = 18.61(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2698e-01 1.A128 H = 8.275(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0052e-01 1.A128 HA = 4.119(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.4862e-01 1.A128 N = 118.33(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6630e-01 1.T129 C = 175.47(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.9722e-01 1.T129 CA = 67.82(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.0606e-02 1.T129 CB = 68.11(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.2029e-01 1.T129 H = 7.807(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8494e-01 1.T129 HA = 4.252(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.6477e-01 1.T129 N = 119.25(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.2006e-01 1.R130 C = 178.65(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.6983e-01 1.R130 CA = 60.22(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.3530e-01 1.R130 CB = 29.74(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.9987e-01 1.R130 H = 8.074(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.8552e-01 1.R130 HA = 3.676(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.7493e-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 = 66.91(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.0170e-02 1.T131 CB = 68.83(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.8085e-01 1.T131 H = 8.521(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5039e-01 1.T131 HA = 3.862(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.1283e-01 1.T131 N = 117.37(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8142e-01 1.A132 C = 179.94(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.0167e-01 1.A132 CA = 55.81(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7750e-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 = 4.026(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.9485e-01 1.A132 N = 124.43(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3462e-01 1.W133 C = 178.95(D), Expected = 176.12, Std = 2.0100, ChiSquare = 1.5914e-01 1.W133 CA = 62.18(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.9785e-02 1.W133 CB = 29.56(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.2285e-01 1.W133 H = 8.357(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.3241e-01 1.W133 HA = 4.044(D), Expected = 4.68, Std = 0.5300, ChiSquare = 2.3014e-01 1.W133 N = 118.64(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.6706e-01 1.S134 C = 177.98(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.0762e-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 = 8.729(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.4665e-01 1.S134 HA = 4.390(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.2198e-01 1.S134 N = 115.66(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6019e-01 1.R135 Typing: Mistyped 1.R135 C = 175.23(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.6105e-01 1.R135 CA = 58.01(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9141e-01 1.R135 CB = 39.84(S), Expected = 30.70, Std = 1.8300, ChiSquare = 5.8978e-07 1.R135 H = 8.153(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8659e-01 1.R135 HA = 4.418(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.9755e-01 1.R135 N = 123.54(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.5653e-01 1.L136 C = 178.13(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.6478e-01 1.L136 CA = 58.40(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9184e-01 1.L136 CB = 41.69(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4156e-01 1.L136 H = 8.189(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4971e-01 1.L136 HA = 4.113(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.5963e-01 1.L136 N = 122.56(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5756e-01 1.Y137 C = 177.28(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.4480e-01 1.Y137 CA = 63.37(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.6829e-02 1.Y137 CB = 38.45(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8711e-01 1.Y137 H = 9.262(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.9691e-01 1.Y137 HA = 3.888(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.8517e-01 1.Y137 N = 118.83(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.8740e-01 1.G138 C = 176.26(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.0363e-01 1.G138 CA = 47.37(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3169e-01 1.G138 H = 8.302(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6564e-01 1.G138 HA2 = 3.981(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.7628e-01 1.G138 HA3 = 3.786(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.5800e-01 1.G138 N = 105.08(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3560e-01 1.A139 C = 180.95(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.3180e-01 1.A139 CA = 55.35(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6435e-01 1.A139 CB = 18.29(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.9399e-01 1.A139 H = 7.807(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1247e-01 1.A139 HA = 4.264(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.9275e-01 1.A139 N = 125.54(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1405e-01 1.V140 C = 178.25(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.6629e-01 1.V140 CA = 66.71(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4007e-01 1.V140 CB = 31.23(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.0204e-01 1.V140 H = 8.015(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8148e-01 1.V140 HA = 3.616(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.2234e-01 1.V140 N = 122.35(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8984e-01 1.V141 C = 178.65(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.1077e-01 1.V141 CA = 66.88(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2479e-01 1.V141 CB = 31.30(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.2436e-01 1.V141 H = 8.524(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2690e-01 1.V141 HA = 3.728(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.2571e-01 1.V141 N = 120.03(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0685e-01 1.Q142 C = 179.69(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3037e-02 1.Q142 CA = 59.73(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.3977e-01 1.Q142 CB = 28.42(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.7224e-01 1.Q142 H = 8.461(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8293e-01 1.Q142 HA = 4.138(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6418e-01 1.Q142 N = 121.88(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.8042e-01 1.A143 C = 180.54(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.8866e-01 1.A143 CA = 55.60(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1408e-01 1.A143 CB = 19.63(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.3476e-01 1.A143 H = 7.646(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5583e-01 1.A143 HA = 4.452(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.6257e-01 1.A143 N = 121.80(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8625e-01 1.M144 C = 180.88(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.4525e-02 1.M144 CA = 60.21(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.5979e-02 1.M144 CB = 34.91(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.9137e-01 1.M144 H = 8.752(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.1222e-01 1.M144 HA = 4.941(D), Expected = 4.41, Std = 0.4800, ChiSquare = 2.6862e-01 1.M144 N = 116.82(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.5968e-01 1.S145 C = 177.05(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5772e-01 1.S145 CA = 62.84(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6554e-02 1.S145 CB = 63.40(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8695e-01 1.S145 H = 9.423(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2710e-02 1.S145 HA = 4.954(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.3602e-01 1.S145 N = 114.42(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9722e-01 1.R146 C = 179.57(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.1955e-01 1.R146 CA = 58.84(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.7020e-01 1.R146 CB = 30.41(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.7409e-01 1.R146 H = 7.877(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5179e-01 1.R146 HA = 4.702(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.8217e-01 1.R146 N = 124.14(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.6409e-01 1.G147 C = 173.85(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9151e-01 1.G147 CA = 47.09(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9411e-01 1.G147 H = 9.582(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4085e-02 1.G147 HA2 = 4.423(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.2083e-01 1.G147 HA3 = 4.507(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.0089e-01 1.G147 N = 107.24(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3006e-01 1.W148 C = 176.10(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.9206e-01 1.W148 CA = 60.66(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.4491e-01 1.W148 CB = 30.86(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.7238e-01 1.W148 H = 8.592(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.0225e-01 1.W148 HA = 4.904(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.7256e-01 1.W148 N = 121.50(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.6565e-01 1.D149 C = 176.95(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5330e-01 1.D149 CA = 55.29(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.6756e-01 1.D149 CB = 41.74(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.9551e-01 1.D149 H = 7.901(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.8070e-01 1.D149 HA = 4.963(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.4377e-01 1.D149 N = 120.43(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.5455e-01 1.G150 C = 173.72(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3641e-01 1.G150 CA = 45.62(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4031e-01 1.G150 H = 8.571(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1081e-01 1.G150 HA2 = 4.255(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.4114e-01 1.G150 HA3 = 4.064(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.5759e-01 1.G150 N = 109.65(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9588e-01 1.E151 CA = 58.50(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.7235e-01 1.E151 CB = 31.29(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5676e-01 1.E151 H = 8.212(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4148e-01 1.E151 HA = 4.256(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8832e-01 1.E151 N = 126.23(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1011e-01