Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.32 R 0.31 K 0.09 D 0.09 F 0.07 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 170.148 CA :: 42.873 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.18 R 0.16 H 0.15 W 0.09 E 0.07 Q 0.07 C Shift Assignments>> C :: 176.672(D) CA :: 55.09 CB :: 32.123 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 :: 8.406 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 :: 122.512 Ave N Shift Values>> N :: 120.09(3.57) 1.G5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G162 1.G162 C Shift Assignments>> C :: 175.242(D) CA :: 45.616(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.381(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.650(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G6 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 :: 174.918(D) CA :: 45.601(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.270(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.457(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.499(D) CA :: 58.904(D) CB :: 63.951(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.323 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.041 Ave N Shift Values>> N :: 116.28(3.52) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.984(D) CA :: 45.252(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.320(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.406(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.2 R 0.13 H 0.12 Q 0.12 W 0.08 E 0.06 V 0.01 C Shift Assignments>> C :: 176.081(D) CA :: 55.730(D) CB :: 32.502(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 :: 7.769(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.478(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.16 E 0.14 W 0.14 R 0.14 K 0.13 M 0.05 I 0.01 C Shift Assignments>> C :: 176.158(D) CA :: 56.138 CB :: 29.625 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 :: 7.346 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 :: 120.068 Ave N Shift Values>> N :: 120.67(3.48) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.76 Y 0.1 F 0.07 V 0.04 E 0.01 HN Overlap>> 1.A61 1.A61 C Shift Assignments>> C :: 177.444(D) CA :: 63.106(D) CB :: 37.292(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.185(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.146(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.13 R 0.03 F 0.01 C Shift Assignments>> C :: 174.800(D) CA :: 45.057(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.510(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.952(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.26 L 0.2 F 0.16 Y 0.11 R 0.11 D 0.1 I 0.01 C Shift Assignments>> C :: 173.756(D) CA :: 57.156(D) CB :: 42.001(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 :: 7.654(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.604(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.116(D) CA :: 59.528(D) CB :: 70.454(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 :: 8.577(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.175(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.29 I 0.26 E 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 181.315(D) CA :: 59.027(D) CB :: 38.397(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 :: 8.337(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 :: 124.742(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.27 K 0.11 L 0.11 I 0.08 D 0.07 C Shift Assignments>> C :: 178.792(D) CA :: 58.285(D) CB :: 40.799(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 :: 9.740(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.436(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.2 D 0.2 R 0.11 F 0.09 Y 0.06 N 0.02 C Shift Assignments>> C :: 175.306(D) CA :: 55.330(D) CB :: 42.103(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 :: 7.779(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.687(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E18 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 C Shift Assignments>> C :: 176.852(D) CA :: 58.171(D) CB :: 29.527 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 :: 6.819(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.984(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 F 0.29 Y 0.27 L 0.01 K 0.01 C Shift Assignments>> C :: 175.204(D) CA :: 60.979(D) CB :: 40.151(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 :: 6.816(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.307(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 W 0.19 K 0.1 E 0.1 H 0.07 Q 0.07 R 0.06 V 0.03 P 0.02 M 0.01 C Shift Assignments>> C :: 174.454(D) CA :: 60.590(D) CB :: 28.946(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 :: 8.479(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 :: 121.739(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 Q 0.15 E 0.15 W 0.15 K 0.09 M 0.07 C Shift Assignments>> C :: 177.356(D) CA :: 56.162(D) CB :: 30.101(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 :: 7.448(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 :: 122.351(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.154(D) CA :: 46.550(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.015(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.021(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.49 P 0.14 K 0.08 W 0.08 R 0.04 M 0.04 Q 0.03 H 0.03 E 0.02 C Shift Assignments>> C :: 176.048(D) CA :: 61.188(D) CB :: 32.800(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 :: 7.456(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.400(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 R 0.16 K 0.16 H 0.15 W 0.11 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> C :: 176.468(D) CA :: 55.471(D) CB :: 31.815(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 :: 8.303(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 :: 123.362(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.W25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 Q 0.19 M 0.18 R 0.08 V 0.08 H 0.07 W 0.07 E 0.04 C Shift Assignments>> C :: 174.531(D) CA :: 58.096(D) CB :: 33.259(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.769(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 :: 115.404(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.26 K 0.15 F 0.09 N 0.07 Y 0.06 R 0.03 HN Overlap>> 1.N170 1.N170 C Shift Assignments>> C :: 175.254(D) CA :: 54.361(D) CB :: 41.521(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 :: 8.303(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.866(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 M 0.22 C Shift Assignments>> C :: 177.516(D) CA :: 51.422(D) CB :: 17.025(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.349(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.250(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 E 0.17 R 0.16 W 0.16 Q 0.15 M 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 180.810(D) CA :: 56.720(D) CB :: 30.077(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 :: 7.675(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.176(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.24 M 0.23 K 0.23 R 0.08 H 0.07 W 0.05 E 0.03 V 0.03 C Shift Assignments>> C :: 174.610(D) CA :: 56.700(D) CB :: 33.451(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 :: 7.435(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.291(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 M 0.04 HN Overlap>> 1.M112 1.M112 C Shift Assignments>> C :: 177.043(D) CA :: 51.346(D) CB :: 19.541(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.778(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.394(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 170.823(D) CA :: 60.264(D) CB :: 71.523(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 :: 7.123(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.708(D) Ave N Shift Values>> N :: 115.42(4.75) 1.W32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 I 0.16 E 0.12 R 0.1 V 0.09 H 0.09 K 0.07 Q 0.06 M 0.02 P 0.02 C Shift Assignments>> C :: 176.150(D) CA :: 60.554(D) CB :: 29.909(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 :: 8.054(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 :: 117.641(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.32 L 0.11 F 0.07 Y 0.06 C Shift Assignments>> C :: 174.257(D) CA :: 52.968(D) CB :: 39.934(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 :: 7.751(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.063(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.24 N 0.15 K 0.09 F 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 176.981(D) CA :: 52.569(D) CB :: 41.565(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 :: 7.453(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 :: 113.002(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 Y 0.24 F 0.18 E 0.06 V 0.01 C Shift Assignments>> C :: 175.208(D) CA :: 60.766(D) CB :: 37.695(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 :: 8.161(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.764(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.844(D) CA :: 62.552(D) CB :: 69.516(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 :: 7.740(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 :: 111.959(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 173.066(D) CA :: 45.304(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.504(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.014(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K38 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 0.12 H 0.12 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 172.473(D) CA :: 55.046(D) CB :: 32.644(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 :: 7.345(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 :: 116.779(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.31 V 0.3 I 0.24 W 0.07 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.980(D) CA :: 63.316(D) CB :: 30.161(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) N Shift Assignments>> N :: 129.473 Ave N Shift Values>> N :: 134.16(6.62) 1.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.25 W 0.06 K 0.04 R 0.02 M 0.02 H 0.02 E 0.01 Q 0.01 C Shift Assignments>> C :: 176.641(D) CA :: 61.788(D) CB :: 32.648(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 :: 8.747(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 :: 128.108(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 L 0.19 Y 0.18 K 0.16 D 0.15 I 0.03 N 0.02 R 0.01 C Shift Assignments>> C :: 174.626(D) CA :: 56.886(D) CB :: 41.032(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 :: 7.940(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.889(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 L 0.24 R 0.11 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.558(D) CA :: 44.548(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.909(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.968(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 E 0.26 I 0.18 F 0.18 M 0.04 K 0.01 C Shift Assignments>> C :: 176.707(D) CA :: 58.575(D) CB :: 37.150(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 :: 8.255(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 :: 120.324(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 E 0.17 R 0.16 H 0.16 Q 0.12 M 0.07 K 0.07 V 0.01 I 0.01 C Shift Assignments>> C :: 177.089(D) CA :: 57.667(D) CB :: 30.459(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 :: 8.788(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 :: 121.868(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.29 M 0.12 K 0.12 Q 0.1 V 0.09 I 0.08 Y 0.08 F 0.03 H 0.01 W 0.01 R 0.01 HN Overlap>> 1.S147 1.S147 C Shift Assignments>> C :: 172.927(D) CA :: 59.118(D) CB :: 35.295(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.196(D) 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 :: 109.791(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.49 M 0.2 Q 0.08 N 0.07 K 0.05 H 0.02 R 0.01 E 0.01 W 0.01 C Shift Assignments>> C :: 174.266(D) CA :: 50.487(D) CB :: 34.501(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) 1.R47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.31 M 0.23 E 0.19 K 0.06 Y 0.05 Q 0.05 F 0.03 H 0.01 C Shift Assignments>> C :: 173.903(D) CA :: 53.372(D) CB :: 35.948(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 :: 7.479(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 :: 117.888(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.I48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.35 M 0.13 K 0.1 Y 0.1 Q 0.08 I 0.08 V 0.05 F 0.04 H 0.01 R 0.01 W 0.01 C Shift Assignments>> C :: 176.288(D) CA :: 58.630(D) CB :: 35.540(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.867(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.922(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.4 K 0.11 I 0.09 Q 0.09 E 0.08 M 0.07 Y 0.03 W 0.03 R 0.02 H 0.01 P 0.01 F 0.01 C Shift Assignments>> C :: 175.428(D) CA :: 60.778(D) CB :: 34.504(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.309(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.328(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 171.342(D) CA :: 46.295(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.659(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.988(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.828(D) CA :: 61.649(D) CB :: 71.135(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 :: 8.069(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.580(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 Y 0.12 F 0.08 V 0.04 E 0.02 C Shift Assignments>> C :: 178.515(D) CA :: 62.661(D) CB :: 37.235(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 :: 7.349(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 :: 118.927(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 P 0.31 W 0.05 R 0.04 Q 0.01 E 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 180.134(D) CA :: 61.825(D) CB :: 27.306(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.074(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 :: 120.474(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.29 I 0.12 K 0.09 L 0.08 D 0.04 C Shift Assignments>> C :: 178.485(D) CA :: 58.759(D) CB :: 40.730(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 :: 7.871(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.355(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.68 A 0.23 I 0.07 C Shift Assignments>> C :: 178.864(D) CA :: 55.874(D) CB :: 17.798(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.048(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.009(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 I 0.19 K 0.13 E 0.13 Q 0.09 H 0.09 R 0.08 V 0.02 M 0.01 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 180.996(D) CA :: 59.899(D) CB :: 29.037(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 :: 8.466(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.547(D) Ave N Shift Values>> N :: 120.67(3.48) 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 :: 177.312(D) CA :: 58.427 CB :: 63.719(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.738(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.706(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 L 0.19 F 0.17 R 0.13 Y 0.12 D 0.08 I 0.02 C Shift Assignments>> C :: 179.507(D) CA :: 57.564(D) CB :: 42.107(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 :: 8.851(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 :: 124.403(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 K 0.24 Y 0.2 L 0.1 I 0.07 R 0.05 D 0.03 HN Overlap>> 1.A66 1.A66 C Shift Assignments>> C :: 180.176(D) CA :: 58.927(D) CB :: 41.603(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 :: 8.149(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 :: 121.555(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 R 0.13 V 0.13 E 0.13 H 0.11 K 0.09 M 0.06 Q 0.06 I 0.03 P 0.01 C Shift Assignments>> C :: 179.932(D) CA :: 59.772(D) CB :: 31.096(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 :: 7.073(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 :: 119.402(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.27 I 0.06 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 179.509(D) CA :: 55.630(D) CB :: 17.786(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.206(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.200(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 W 0.16 K 0.12 R 0.11 E 0.09 H 0.08 M 0.08 P 0.03 Q 0.03 I 0.01 C Shift Assignments>> C :: 180.476(D) CA :: 60.046(D) CB :: 31.922(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 :: 8.915(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 :: 119.833(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 I 0.14 E 0.14 K 0.14 Q 0.1 H 0.1 R 0.09 V 0.02 M 0.02 C Shift Assignments>> C :: 179.683(D) CA :: 59.531(D) CB :: 29.162(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 :: 7.893(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 :: 121.616(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 K 0.2 L 0.12 D 0.06 I 0.06 R 0.02 HN Overlap>> 1.L137 1.L137 C Shift Assignments>> C :: 181.291(D) CA :: 58.289(D) CB :: 41.231(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 :: 8.265(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 :: 122.452(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.73 A 0.18 I 0.07 C Shift Assignments>> C :: 181.141(D) CA :: 55.839(D) CB :: 17.260(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.191(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.417(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.74 A 0.18 I 0.07 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 182.957(D) CA :: 55.873(D) CB :: 17.245(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.165(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.577(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.233(D) CA :: 65.767(D) CB :: 69.619(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 :: 7.853(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.087(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.16 R 0.15 W 0.14 E 0.14 K 0.12 M 0.07 C Shift Assignments>> C :: 175.399(D) CA :: 55.620(D) CB :: 29.819(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 :: 7.266(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 :: 118.814(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 174.905(D) CA :: 45.318(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.718(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.919(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 L 0.22 K 0.21 F 0.13 Y 0.09 D 0.08 I 0.01 G 0.01 C Shift Assignments>> C :: 174.970(D) CA :: 57.200(D) CB :: 42.525(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 :: 8.413(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.091(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 L 0.29 D 0.07 K 0.06 F 0.06 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.371(D) CA :: 43.078(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.531(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.198(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 R 0.24 G 0.17 D 0.13 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 175.182(D) CA :: 53.726(D) CB :: 43.783(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 :: 8.470(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.787(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.21 D 0.21 G 0.07 K 0.05 F 0.03 N 0.02 Y 0.02 HN Overlap>> 1.R196 1.R196 C Shift Assignments>> C :: 173.784(D) CA :: 53.106(D) CB :: 43.127(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 :: 8.137(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 :: 124.018(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.26 D 0.16 K 0.07 F 0.05 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 176.479(D) CA :: 54.514(D) CB :: 43.103(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 :: 8.769(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.160(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 W 0.16 H 0.15 E 0.15 M 0.1 K 0.1 Q 0.1 V 0.02 C Shift Assignments>> C :: 176.854(D) CA :: 57.457(D) CB :: 30.989(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 :: 8.709(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.970(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.24 R 0.22 F 0.07 Y 0.04 D 0.02 C Shift Assignments>> C :: 175.259(D) CA :: 57.595(D) CB :: 44.489(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 :: 7.258(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.058(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.080(D) CA :: 45.505(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.172(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.388(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.29 I 0.28 E 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 171.444(D) CA :: 59.332(D) CB :: 38.628(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 :: 9.787(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 :: 133.383(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R79 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Duplicate PRTL>> N 0.83 D 0.07 Y 0.02 F 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 172.203(D) CA :: 50.761(D) CB :: 37.785(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 :: 6.033(S) 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 :: 130.145(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.P80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.46 P 0.39 W 0.04 K 0.01 R 0.01 I 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 178.911(D) CA :: 62.472(D) CB :: 32.209(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) N Shift Assignments>> N :: 130.593 Ave N Shift Values>> N :: 134.16(6.62) 1.K81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.24 W 0.09 K 0.05 R 0.04 H 0.03 E 0.03 M 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 179.553(D) CA :: 61.547(D) CB :: 32.148(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 :: 8.973(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.743(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 W 0.16 Q 0.14 K 0.13 E 0.11 H 0.1 L 0.06 R 0.06 M 0.01 C Shift Assignments>> C :: 178.917(D) CA :: 58.714(D) CB :: 27.843(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 :: 8.987(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 :: 115.477(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.A83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.38 I 0.02 C Shift Assignments>> C :: 179.085(D) CA :: 54.998(D) CB :: 18.966(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.454(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.072(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.69 P 0.21 I 0.08 C Shift Assignments>> C :: 179.876(D) CA :: 66.699(D) CB :: 30.983(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 :: 6.748(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 :: 119.591(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 E 0.2 F 0.19 N 0.13 M 0.06 I 0.05 D 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 178.489(D) CA :: 56.279(D) CB :: 37.538(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.341(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 :: 117.453(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.E141 1.E141 C Shift Assignments>> C :: 178.488(D) CA :: 62.783 CB :: 62.116(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.623(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 :: 117.938(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.27 Y 0.25 I 0.22 F 0.15 M 0.04 K 0.02 V 0.01 C Shift Assignments>> C :: 178.972(D) CA :: 59.082(D) CB :: 36.941(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 :: 8.024(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 :: 123.684(D) Ave N Shift Values>> N :: 120.45(4.18) 1.M88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 R 0.16 E 0.15 H 0.14 K 0.11 M 0.1 Q 0.08 V 0.04 I 0.01 C Shift Assignments>> C :: 180.190(D) CA :: 58.047(D) CB :: 31.170(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 :: 7.767(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 :: 118.041(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.18 W 0.15 R 0.14 K 0.13 Q 0.12 E 0.1 H 0.09 L 0.04 M 0.01 C Shift Assignments>> C :: 179.923(D) CA :: 59.088(D) CB :: 28.055(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 :: 8.040(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.100(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 P 0.29 W 0.07 R 0.02 K 0.02 E 0.01 V 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 179.802(D) CA :: 62.161(D) CB :: 28.019(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 :: 8.606(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 :: 123.613(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.39 I 0.02 C Shift Assignments>> C :: 176.777(D) CA :: 54.697(D) CB :: 17.557(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.381(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.517(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 178.444(D) CA :: 51.668(D) CB :: 19.034(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.075(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.731(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.25 Q 0.13 H 0.08 W 0.06 K 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 173.716(D) CA :: 54.250(D) CB :: 27.087(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 :: 7.193(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.389(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.42 V 0.4 W 0.06 I 0.03 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.845(D) CA :: 62.559(D) CB :: 31.547(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 E 0.17 W 0.17 H 0.16 Q 0.13 M 0.08 K 0.07 V 0.01 I 0.01 HN Overlap>> 1.R173 1.R173 C Shift Assignments>> C :: 176.309(D) CA :: 57.206(D) CB :: 30.464(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 :: 8.369(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 :: 122.092(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 D 0.16 Y 0.06 F 0.06 L 0.03 C Shift Assignments>> C :: 176.851(D) CA :: 52.559(D) CB :: 38.628(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 :: 7.495(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 :: 125.347(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> Y 0.25 N 0.21 F 0.19 E 0.13 D 0.07 M 0.04 I 0.04 L 0.02 C Shift Assignments>> C :: 175.747(D) CA :: 55.809(D) CB :: 37.822(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 :: 10.702(S) 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 :: 117.736(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 R 0.21 F 0.2 Y 0.14 L 0.13 I 0.04 D 0.03 G 0.01 C Shift Assignments>> C :: 179.613(D) CA :: 58.937(D) CB :: 42.489(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 :: 7.598(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 :: 121.286(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.778(D) CA :: 61.103(D) CB :: 70.466(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 :: 9.008(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 :: 107.013(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 K 0.15 W 0.12 R 0.09 M 0.08 H 0.07 E 0.06 Q 0.05 P 0.03 C Shift Assignments>> C :: 178.241(D) CA :: 60.050(D) CB :: 32.485(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.535(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.430(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 W 0.19 K 0.13 E 0.12 Q 0.09 H 0.09 R 0.08 V 0.02 M 0.01 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 178.249(D) CA :: 59.899(D) CB :: 28.928(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 :: 8.463(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.635(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.090(D) CA :: 60.659(D) CB :: 64.227(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.376(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.297(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 F 0.29 Y 0.23 K 0.06 L 0.01 C Shift Assignments>> C :: 173.253(D) CA :: 61.378(D) CB :: 41.150(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 :: 7.565(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 :: 114.686(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Y104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 Q 0.27 K 0.19 E 0.06 H 0.04 R 0.04 W 0.02 Y 0.01 C Shift Assignments>> C :: 173.241(D) CA :: 55.072(D) CB :: 34.275(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 :: 8.658(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 :: 114.600(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.53 P 0.42 I 0.03 C Shift Assignments>> C :: 178.590(D) CA :: 65.421(D) CB :: 31.500(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.N106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 N 0.27 L 0.16 F 0.09 Y 0.07 K 0.02 C Shift Assignments>> C :: 175.064(D) CA :: 53.537(D) CB :: 40.354(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.725(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 :: 113.253(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.22 K 0.21 I 0.11 L 0.07 R 0.05 D 0.02 HN Overlap>> 1.F151 1.F151 C Shift Assignments>> C :: 173.893(D) CA :: 59.558(D) CB :: 41.637(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 :: 7.131(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.522(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 D 0.22 R 0.21 G 0.07 K 0.05 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 178.798(D) CA :: 53.049(D) CB :: 43.108(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 :: 8.499(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 :: 119.701(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 I 0.14 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 :: 179.061(D) CA :: 60.541(D) CB :: 30.109(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 :: 8.933(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.211(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.T110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 178.031(D) CA :: 65.163(D) CB :: 68.737(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 :: 7.887(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 :: 108.291(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 E 0.17 R 0.16 H 0.16 Q 0.13 M 0.07 K 0.07 V 0.01 I 0.01 C Shift Assignments>> C :: 178.307(D) CA :: 57.372(D) CB :: 30.384(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 :: 8.020(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 :: 122.719(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.4 W 0.11 K 0.1 P 0.1 R 0.06 M 0.05 H 0.05 E 0.04 Q 0.03 HN Overlap>> 1.A30 1.A30 C Shift Assignments>> C :: 177.590(D) CA :: 60.744(D) CB :: 32.480(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 :: 7.789(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 :: 119.494(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 Y 0.08 F 0.06 V 0.02 C Shift Assignments>> C :: 181.108(D) CA :: 63.495(D) CB :: 37.594 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 :: 6.915(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 :: 116.954(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.725(D) CA :: 61.894(D) CB :: 62.747 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.372(D) 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 :: 118.226(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.2 Q 0.13 R 0.12 H 0.1 W 0.09 E 0.06 V 0.03 C Shift Assignments>> C :: 177.546(D) CA :: 57.114(D) CB :: 32.689(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 :: 8.326(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.947(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 175.039(D) CA :: 46.089(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.670(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.883(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 Y 0.24 F 0.2 C Shift Assignments>> C :: 174.295(D) CA :: 61.206(D) CB :: 38.672(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 :: 7.500(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.533(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 P 0.11 K 0.05 I 0.04 Q 0.03 W 0.03 M 0.02 R 0.01 E 0.01 H 0.01 Y 0.01 C Shift Assignments>> C :: 173.815 CA :: 61.878 CB :: 33.88 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 :: 7.506 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 :: 117.345 Ave N Shift Values>> N :: 121.14(4.54) 1.A119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 G 0.03 L 0.02 C Shift Assignments>> C :: 177.057 CA :: 49.251(D) CB :: 20.924 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.095(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.341(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S122 1.S122 C Shift Assignments>> C :: 175.024 CA :: 55.088(D) CB :: 63.435 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.066(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 :: 115.768(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.17 R 0.16 H 0.15 W 0.11 E 0.1 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.638 CA :: 56.302 CB :: 31.886 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 :: 7.427 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.593 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S120 1.S120 C Shift Assignments>> C :: 178.375 CA :: 54.352(D) CB :: 65.467 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.067(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 :: 115.740(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S125 1.S125 1.V194 1.V194 C Shift Assignments>> C :: 172.431(D) CA :: 60.019(D) CB :: 63.654(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.509(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 :: 119.341(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 H 0.17 M 0.15 W 0.13 E 0.12 K 0.11 Q 0.1 HN Overlap>> 1.H157 1.H157 C Shift Assignments>> C :: 180.851(D) CA :: 55.597(D) CB :: 31.117(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 :: 7.710(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 :: 121.203(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S123 1.V194 1.S123 1.V194 C Shift Assignments>> C :: 173.202(D) CA :: 59.283(D) CB :: 63.093(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.510(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 :: 119.409(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.15 R 0.14 W 0.13 E 0.12 M 0.05 L 0.01 C Shift Assignments>> C :: 180.088(D) CA :: 55.285(D) CB :: 29.422(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 :: 7.446(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.969(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.G127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.59 A 0.16 G 0.13 N 0.06 D 0.01 C Shift Assignments>> C :: 174.001(D) CA :: 48.558(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.530(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.068(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.090 CA :: 56.973(D) CB :: 63.344(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.467(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 :: 114.025(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.94 L 0.02 G 0.01 C Shift Assignments>> C :: 175.602(D) CA :: 49.524(D) CB :: 20.988(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.I130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.41 L 0.31 R 0.16 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 170.622(D) CA :: 56.190(D) CB :: 44.633(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.080(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 :: 118.245(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 G 0.31 R 0.17 D 0.12 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.265(D) CA :: 52.847(D) CB :: 43.922(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 :: 8.802(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.919(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.19 R 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 171.562(D) CA :: 55.562(D) CB :: 45.377(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 :: 9.648(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 :: 127.659(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.617(D) CA :: 58.792(D) CB :: 70.127(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 :: 7.765(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 :: 106.112(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L134 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 :: 177.609(D) CA :: 52.699(D) CB :: 45.732(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 :: 7.926(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.280(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.23 R 0.16 F 0.12 D 0.12 Y 0.08 C Shift Assignments>> C :: 174.586(D) CA :: 56.528(D) CB :: 42.291(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 :: 8.462(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.140(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 W 0.15 E 0.15 Q 0.12 M 0.1 K 0.09 C Shift Assignments>> C :: 177.918(D) CA :: 56.368(D) CB :: 30.731(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 :: 9.502(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.039(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.L137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 K 0.2 Y 0.19 L 0.17 D 0.11 I 0.03 R 0.02 N 0.01 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 179.222(D) CA :: 57.424(D) CB :: 41.197(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 :: 8.277(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 :: 122.528(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.27 N 0.11 D 0.1 I 0.06 L 0.05 E 0.03 M 0.01 C Shift Assignments>> C :: 179.147(D) CA :: 56.528(D) CB :: 38.651(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 :: 8.783(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.342(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.044(D) CA :: 61.665(D) CB :: 70.889(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 :: 8.454(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.600(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.404(D) CA :: 46.562(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.862(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.384(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.15 M 0.14 W 0.14 E 0.13 K 0.12 Q 0.09 V 0.01 HN Overlap>> 1.S86 1.S86 C Shift Assignments>> C :: 177.571(D) CA :: 56.838(D) CB :: 31.275(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 :: 7.660(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 :: 117.900(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.21 D 0.21 F 0.18 K 0.15 Y 0.15 N 0.03 I 0.01 R 0.01 C Shift Assignments>> C :: 178.216(D) CA :: 56.190(D) CB :: 41.045(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 :: 8.774(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 :: 124.132(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 W 0.15 K 0.11 R 0.1 E 0.07 H 0.07 M 0.07 P 0.06 Q 0.02 I 0.01 C Shift Assignments>> C :: 174.687(D) CA :: 60.332(D) CB :: 32.000(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 :: 7.356(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.697(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.52 V 0.41 I 0.02 W 0.02 C Shift Assignments>> C :: 177.229(D) CA :: 64.064(D) CB :: 31.581(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.M145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.25 K 0.18 H 0.07 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 179.730(D) CA :: 53.669(D) CB :: 33.706(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 :: 8.051(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 :: 121.205(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.212(D) CA :: 46.494(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.835(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.694(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.95 T 0.04 HN Overlap>> 1.V45 1.V45 C Shift Assignments>> C :: 173.269(D) CA :: 58.169(D) CB :: 65.825(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.127(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.798(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 R 0.17 H 0.17 K 0.13 W 0.11 E 0.08 Q 0.08 C Shift Assignments>> C :: 175.011(D) CA :: 54.855(D) CB :: 31.594(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 :: 7.723(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 :: 117.775(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.F149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.41 Y 0.15 M 0.1 I 0.09 F 0.08 K 0.06 Q 0.02 V 0.01 C Shift Assignments>> C :: 175.615(D) CA :: 58.051(D) CB :: 36.227(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 :: 7.217(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.701(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D150 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.33 Y 0.24 F 0.15 I 0.12 M 0.06 K 0.02 N 0.01 C Shift Assignments>> C :: 172.648(D) CA :: 58.033(D) CB :: 36.915(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 :: 3.458(A) 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 :: 120.343 Ave N Shift Values>> N :: 120.65(3.86) 1.F151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.31 I 0.19 E 0.03 D 0.02 L 0.02 N 0.01 HN Overlap>> 1.I107 1.I107 C Shift Assignments>> C :: 176.262(D) CA :: 58.473(D) CB :: 38.632(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 :: 7.125(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 :: 115.517(D) Ave N Shift Values>> N :: 120.45(4.18) 1.M152 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> H 0.17 Q 0.17 R 0.14 W 0.14 E 0.14 K 0.13 M 0.06 C Shift Assignments>> C :: 181.985(D) CA :: 55.662(D) CB :: 29.667(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.018(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 :: 134.755(S) Ave N Shift Values>> N :: 120.09(3.57) 1.D153 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.2 C Shift Assignments>> C :: 175.202(D) CA :: 54.064 CB :: 49.449(S) 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 :: 6.786 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 :: 120.964 Ave N Shift Values>> N :: 120.65(3.86) 1.E154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.16 E 0.14 Q 0.14 H 0.11 I 0.11 R 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 178.126(D) CA :: 58.676(D) CB :: 28.646(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 :: 8.511(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.343(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 E 0.15 R 0.15 H 0.13 K 0.09 Q 0.08 M 0.07 V 0.07 I 0.02 C Shift Assignments>> C :: 179.301(D) CA :: 58.962(D) CB :: 30.928(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 :: 9.616(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 :: 120.127(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.S156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.869(D) CA :: 59.946(D) CB :: 63.928(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.441(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.432(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 R 0.18 Q 0.14 W 0.14 E 0.12 M 0.12 K 0.07 HN Overlap>> 1.H124 1.H124 C Shift Assignments>> C :: 178.346(D) CA :: 54.861(D) CB :: 30.556(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 :: 7.709(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 :: 121.170(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 P 0.28 W 0.12 I 0.07 R 0.04 E 0.04 H 0.03 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.672(D) CA :: 61.913(D) CB :: 31.058(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.389(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 :: 122.912(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.21 C Shift Assignments>> C :: 177.386(D) CA :: 51.807(D) CB :: 17.469(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.967 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 123.23(3.54) 1.A160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.07 L 0.05 HN Overlap>> 1.W190 1.W190 C Shift Assignments>> C :: 178.627(D) CA :: 53.613(D) CB :: 20.238(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.192(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.585(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.28 F 0.09 L 0.09 Y 0.09 C Shift Assignments>> C :: 177.234(D) CA :: 53.581(D) CB :: 39.487(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.456(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.597(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 HN Overlap>> 1.G5 1.G5 C Shift Assignments>> C :: 175.137(D) CA :: 46.237(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.383(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.623(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 Y 0.3 F 0.22 E 0.06 C Shift Assignments>> C :: 176.220(D) CA :: 59.933(D) CB :: 37.933(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 :: 6.711(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 :: 112.244(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.722(D) CA :: 58.359(D) CB :: 64.963(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.002(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 :: 120.091(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.27 V 0.25 I 0.22 P 0.12 F 0.02 Y 0.02 S 0.02 W 0.02 C Shift Assignments>> C :: 177.973 CA :: 62.198 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.966 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 :: 117.382 Ave N Shift Values>> N :: 116.28(3.52) 1.N166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.25 E 0.12 N 0.08 I 0.08 D 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 177.302(D) CA :: 56.843(D) CB :: 38.008(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.431 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.603 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 I 0.18 K 0.15 E 0.13 Q 0.11 H 0.1 R 0.08 M 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 179.043(D) CA :: 59.398(D) CB :: 28.632(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 :: 7.466(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 :: 121.089(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.24 I 0.07 C Shift Assignments>> C :: 181.841(D) CA :: 55.815(D) CB :: 17.797(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.386(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.238(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 W 0.15 R 0.13 K 0.13 Q 0.12 E 0.11 H 0.09 L 0.04 M 0.01 C Shift Assignments>> C :: 179.084(D) CA :: 59.002(D) CB :: 28.083(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 :: 8.112(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 :: 119.322(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.22 N 0.14 E 0.12 D 0.06 I 0.06 M 0.04 L 0.02 HN Overlap>> 1.D26 1.R173 1.D26 1.R173 C Shift Assignments>> C :: 178.097(D) CA :: 56.322(D) CB :: 37.943(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.267(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.968(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 V 0.19 E 0.11 R 0.1 I 0.08 H 0.08 P 0.06 K 0.05 Q 0.04 M 0.03 C Shift Assignments>> C :: 179.104(D) CA :: 60.702(D) CB :: 30.721(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 :: 7.906(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.203(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.R172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 E 0.15 K 0.11 R 0.11 H 0.11 I 0.1 Q 0.1 V 0.03 M 0.02 C Shift Assignments>> C :: 180.120(D) CA :: 59.542(D) CB :: 29.621(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 :: 7.609(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 :: 119.065(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.R173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 K 0.15 E 0.14 I 0.13 Q 0.12 H 0.11 R 0.09 M 0.02 V 0.01 HN Overlap>> 1.E95 1.E95 1.N170 1.N170 C Shift Assignments>> C :: 179.684(D) CA :: 59.214(D) CB :: 28.977(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 :: 8.294(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.050(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.L174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.26 K 0.14 L 0.1 I 0.1 D 0.05 R 0.01 C Shift Assignments>> C :: 177.481(D) CA :: 58.684(D) CB :: 41.003(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 :: 7.577(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 :: 120.440(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 I 0.17 E 0.13 R 0.1 H 0.09 V 0.08 K 0.08 Q 0.07 M 0.02 P 0.01 C Shift Assignments>> C :: 178.402(D) CA :: 60.477(D) CB :: 29.822(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 :: 8.509(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 :: 118.955(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.S176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.043(D) CA :: 61.957(D) CB :: 63.047(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.339(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 :: 113.235(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.92 Y 0.03 F 0.02 V 0.01 C Shift Assignments>> C :: 178.585(D) CA :: 65.593(D) CB :: 38.275(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 :: 7.795(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 :: 123.443(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.16 H 0.15 W 0.14 E 0.14 R 0.12 M 0.04 I 0.01 L 0.01 C Shift Assignments>> C :: 181.830(D) CA :: 56.412(D) CB :: 29.219(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 :: 7.766(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 :: 116.950(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 I 0.15 K 0.14 E 0.14 Q 0.11 H 0.1 R 0.09 M 0.01 V 0.01 C Shift Assignments>> C :: 181.600(D) CA :: 59.437(D) CB :: 28.988(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 :: 9.423(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 :: 123.792(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.22 N 0.2 D 0.17 L 0.08 I 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 176.251(D) CA :: 55.670(D) CB :: 38.937(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.134(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.915(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.514(D) CA :: 58.874(D) CB :: 64.026(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.645(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 :: 114.408(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.868(D) CA :: 45.002(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.463(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.003(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 K 0.23 Y 0.18 L 0.16 D 0.09 I 0.04 R 0.03 C Shift Assignments>> C :: 175.080(D) CA :: 57.722(D) CB :: 41.376(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 :: 8.120(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.208(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 K 0.2 R 0.13 H 0.13 Q 0.11 W 0.08 E 0.05 V 0.01 C Shift Assignments>> C :: 176.420(D) CA :: 55.174(D) CB :: 32.481(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 :: 9.675(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 :: 119.897(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 L 0.06 C Shift Assignments>> C :: 176.557(D) CA :: 51.097(D) CB :: 21.097(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.103(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.707(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.26 K 0.18 F 0.1 Y 0.07 N 0.05 R 0.04 C Shift Assignments>> C :: 176.624(D) CA :: 54.835(D) CB :: 41.642(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 :: 9.205(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 :: 122.041(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S187 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 F 0.21 Y 0.15 K 0.03 C Shift Assignments>> CA :: 41.580(A) CB :: 63.052 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.934 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.882 Ave N Shift Values>> N :: 116.28(3.52) 1.L188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.32 L 0.27 K 0.12 F 0.09 D 0.08 Y 0.06 G 0.02 C Shift Assignments>> C :: 175.466 CA :: 56.542 CB :: 43.03 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) 1.E189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.18 H 0.14 R 0.13 Q 0.11 W 0.07 E 0.04 C Shift Assignments>> C :: 176.858(D) CA :: 53.783(D) CB :: 32.490(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 :: 6.394(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 :: 112.357(D) Ave N Shift Values>> N :: 120.67(3.48) 1.W190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.17 E 0.15 Q 0.14 H 0.12 R 0.1 I 0.08 M 0.02 L 0.01 HN Overlap>> 1.A160 1.A160 C Shift Assignments>> C :: 174.822(D) CA :: 58.501(D) CB :: 28.855(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.274(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 :: 121.524(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W191 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> W 0.16 K 0.15 I 0.14 Q 0.13 E 0.12 R 0.11 H 0.1 L 0.03 M 0.01 C Shift Assignments>> C :: 175.313(D) CA :: 58.805(D) CB :: 28.31 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 :: 5.454(S) 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 :: 115.229(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 M 0.22 K 0.21 E 0.09 R 0.04 H 0.04 V 0.04 W 0.03 Y 0.01 C Shift Assignments>> C :: 174.250(D) CA :: 57.318(D) CB :: 34.279(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 :: 6.245(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 :: 121.449(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.31 L 0.23 K 0.14 F 0.11 Y 0.07 D 0.06 G 0.02 C Shift Assignments>> C :: 173.961(D) CA :: 57.294(D) CB :: 42.932(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 :: 8.552(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.521(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.28 I 0.16 V 0.13 Y 0.11 K 0.08 M 0.08 Q 0.06 F 0.05 W 0.01 HN Overlap>> 1.S125 1.S123 1.S125 1.S123 C Shift Assignments>> C :: 175.108(D) CA :: 59.843(D) CB :: 35.501(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 :: 8.465(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 :: 119.314(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.28 K 0.1 D 0.09 F 0.08 Y 0.05 G 0.03 C Shift Assignments>> C :: 177.101(D) CA :: 56.401(D) CB :: 43.118(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 :: 8.195(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 :: 128.975(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.17 R 0.14 H 0.13 Q 0.11 K 0.09 I 0.05 M 0.04 V 0.03 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 177.117(D) CA :: 58.847(D) CB :: 30.068(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 :: 8.138(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 :: 123.957(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.D197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.29 L 0.1 F 0.09 Y 0.08 C Shift Assignments>> C :: 175.601(D) CA :: 53.520(D) CB :: 39.600(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 :: 8.347(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 :: 119.814(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 Q 0.18 K 0.14 R 0.14 W 0.13 E 0.1 M 0.06 L 0.01 C Shift Assignments>> C :: 174.731(D) CA :: 54.014(D) CB :: 29.385(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 :: 7.474(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 :: 118.240(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.39 V 0.38 I 0.17 W 0.03 C Shift Assignments>> C :: 177.058(D) CA :: 64.528 CB :: 30.408(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Y200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 Y 0.11 F 0.08 E 0.08 D 0.07 M 0.05 L 0.01 C Shift Assignments>> C :: 173.228 CA :: 53.768(D) CB :: 37.497(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 :: 7.271(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 :: 115.312(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.5 P 0.46 I 0.01 C Shift Assignments>> C :: 176.628(D) CA :: 64.909(D) CB :: 31.922(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.N202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.39 N 0.28 L 0.16 F 0.06 Y 0.04 K 0.03 C Shift Assignments>> C :: 174.964(D) CA :: 52.569(D) CB :: 40.714(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.534(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.901(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S203 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 168.903(S) CA :: 57.864(D) CB :: 65.151(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.710(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.638(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.32 F 0.29 D 0.11 N 0.08 I 0.07 L 0.07 E 0.01 M 0.01 C Shift Assignments>> C :: 175.859(D) CA :: 56.729(D) CB :: 39.001(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 :: 7.841(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 :: 120.146(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.32 Y 0.26 K 0.15 I 0.13 L 0.07 D 0.03 R 0.01 C Shift Assignments>> C :: 175.198(D) CA :: 59.218(D) CB :: 41.099(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 :: 8.179(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 :: 123.025(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 R 0.23 G 0.19 D 0.12 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 176.130(D) CA :: 53.783(D) CB :: 43.859(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 :: 9.039(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 :: 116.785(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.45 E 0.15 Y 0.11 M 0.08 F 0.08 D 0.04 K 0.01 L 0.01 I 0.01 C Shift Assignments>> C :: 174.990(D) CA :: 54.105(D) CB :: 37.111(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 :: 6.832(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 :: 117.955(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.47 V 0.42 W 0.03 I 0.01 C Shift Assignments>> C :: 176.031(D) CA :: 63.056(D) CB :: 31.888(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 P 0.32 I 0.27 W 0.05 C Shift Assignments>> C :: 173.524(D) CA :: 64.103(D) CB :: 30.073(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 :: 8.696(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 :: 122.583(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.23 K 0.21 M 0.18 V 0.1 E 0.09 R 0.04 H 0.04 W 0.03 Y 0.02 I 0.01 C Shift Assignments>> C :: 178.984(D) CA :: 58.489(D) CB :: 34.231(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 :: 7.385(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 132.079(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 7 #Clerical: 195 #Suspicious: 4 #Anomalous: 1 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 205 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 210 #Suspicious: 0 C Shift Results: #Consistent: 34 #Duplicate: 566 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 10 #Duplicate: 182 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 13 #Duplicate: 184 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.M4 C = 176.672(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.1389e-01 1.G5 C = 175.242(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6552e-01 1.G5 CA = 45.616(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4265e-01 1.G5 H = 8.381(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3746e-01 1.G5 N = 110.650(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0009e-01 1.G6 C = 174.918(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.7722e-01 1.G6 CA = 45.601(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5141e-01 1.G6 H = 8.270(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G6 N = 109.457(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5611e-01 1.S7 C = 175.499(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.0932e-01 1.S7 CA = 58.904(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2917e-01 1.S7 CB = 63.951(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1874e-01 1.G8 C = 173.984(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5165e-01 1.G8 CA = 45.252(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4170e-01 1.G8 H = 8.320(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G8 N = 111.406(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5374e-01 1.M9 C = 176.081(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.6222e-01 1.M9 CA = 55.730(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.6469e-01 1.M9 CB = 32.502(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.2754e-01 1.M9 H = 7.769(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.1317e-01 1.M9 N = 120.478(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.1345e-01 1.E10 C = 176.158(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1502e-01 1.I11 C = 177.444(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.0642e-01 1.I11 CA = 63.106(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.7670e-01 1.I11 CB = 37.292(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.0773e-01 1.I11 H = 8.185(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8889e-01 1.I11 N = 124.146(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.3029e-01 1.G12 C = 174.800(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2083e-01 1.G12 CA = 45.057(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2692e-01 1.G12 H = 8.510(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8184e-01 1.G12 N = 111.952(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5542e-01 1.F13 C = 173.756(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.0305e-01 1.F13 CA = 57.156(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.1920e-01 1.F13 CB = 42.001(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.3595e-01 1.F13 H = 7.654(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.2681e-01 1.F13 N = 120.604(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7061e-01 1.T14 C = 174.116(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.0963e-01 1.T14 CA = 59.528(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9863e-01 1.T14 CB = 70.454(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5692e-01 1.T14 H = 8.577(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.8675e-01 1.T14 N = 112.175(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.9451e-01 1.F15 C = 181.315(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.0534e-03 1.F15 CA = 59.027(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.1251e-01 1.F15 CB = 38.397(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.4594e-01 1.F15 H = 8.337(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.7452e-01 1.F15 N = 124.742(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.0452e-01 1.L16 C = 178.792(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6277e-01 1.L16 CA = 58.285(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1087e-01 1.L16 CB = 40.799(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.2156e-01 1.L16 H = 9.740(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.0175e-02 1.L16 N = 126.436(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4066e-01 1.D17 C = 175.306(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.3188e-01 1.D17 CA = 55.330(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.5256e-01 1.D17 CB = 42.103(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.5029e-01 1.D17 H = 7.779(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.5992e-01 1.D17 N = 113.687(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1249e-02 1.E18 C = 176.852(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9264e-01 1.E18 CA = 58.171(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8388e-01 1.E18 H = 6.819(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0437e-02 1.E18 N = 115.984(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7812e-01 1.I19 C = 175.204(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.3653e-01 1.I19 CA = 60.979(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1386e-01 1.I19 CB = 40.151(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.5147e-01 1.I19 H = 6.816(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.1323e-02 1.I19 N = 115.307(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.5054e-01 1.V20 C = 174.454(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.3942e-01 1.V20 CA = 60.590(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0648e-01 1.V20 CB = 28.946(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4518e-02 1.V20 H = 8.479(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.7787e-01 1.V20 N = 121.739(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9503e-01 1.H21 C = 177.356(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.8505e-01 1.H21 CA = 56.162(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.7684e-01 1.H21 CB = 30.101(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.4646e-01 1.H21 H = 7.448(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.4414e-01 1.H21 N = 122.351(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0589e-01 1.G22 C = 176.154(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.2441e-01 1.G22 CA = 46.550(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.7051e-01 1.G22 H = 9.015(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9195e-01 1.G22 N = 110.021(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2773e-01 1.V23 C = 176.048(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.2177e-01 1.V23 CA = 61.188(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4893e-01 1.V23 CB = 32.800(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6881e-01 1.V23 H = 7.456(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1321e-01 1.V23 N = 115.400(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0612e-01 1.R24 C = 176.468(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.7721e-01 1.R24 CA = 55.471(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.7389e-01 1.R24 CB = 31.815(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.4233e-01 1.R24 H = 8.303(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.1774e-01 1.R24 N = 123.362(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.8631e-01 1.W25 C = 174.531(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.2921e-01 1.W25 CA = 58.096(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.6580e-01 1.W25 CB = 33.259(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.0600e-01 1.W25 H = 7.769(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.0958e-01 1.W25 N = 115.404(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.3324e-01 1.D26 C = 175.254(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.1256e-01 1.D26 CA = 54.361(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.7125e-01 1.D26 CB = 41.521(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.9234e-01 1.D26 H = 8.303(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9037e-01 1.D26 N = 121.866(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5274e-01 1.A27 C = 177.516(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1625e-01 1.A27 CA = 51.422(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8557e-01 1.A27 CB = 17.025(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7805e-01 1.A27 H = 8.349(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0388e-01 1.A27 N = 124.250(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7324e-01 1.K28 C = 180.810(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.7069e-02 1.K28 CA = 56.720(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1674e-01 1.K28 CB = 30.077(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2747e-01 1.K28 H = 7.675(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.9071e-01 1.K28 N = 123.176(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7280e-01 1.Y29 C = 174.610(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.9138e-01 1.Y29 CA = 56.700(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.6887e-01 1.Y29 CB = 33.451(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.5851e-03 1.Y29 H = 7.435(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.2539e-01 1.Y29 N = 116.291(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.1398e-01 1.A30 C = 177.043(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.4349e-01 1.A30 CA = 51.346(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6490e-01 1.A30 CB = 19.541(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7169e-01 1.A30 H = 7.778(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8185e-01 1.A30 N = 119.394(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7854e-01 1.T31 C = 170.823(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.4692e-02 1.T31 CA = 60.264(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.5012e-01 1.T31 CB = 71.523(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.7133e-01 1.T31 H = 7.123(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1606e-02 1.T31 N = 110.708(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.2120e-01 1.W32 C = 176.150(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.8809e-01 1.W32 CA = 60.554(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.6199e-01 1.W32 CB = 29.909(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.5992e-01 1.W32 H = 8.054(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.6514e-01 1.W32 N = 117.641(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.3391e-01 1.D33 C = 174.257(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.2074e-01 1.D33 CA = 52.968(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.9628e-01 1.D33 CB = 39.934(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.5925e-01 1.D33 H = 7.751(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.3515e-01 1.D33 N = 123.063(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.3189e-01 1.N34 C = 176.981(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.3914e-01 1.N34 CA = 52.569(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.0551e-01 1.N34 CB = 41.565(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8909e-02 1.N34 H = 7.453(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.5915e-01 1.N34 N = 113.002(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.4130e-01 1.F35 C = 175.208(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.1516e-01 1.F35 CA = 60.766(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.9596e-01 1.F35 CB = 37.695(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.7217e-01 1.F35 H = 8.161(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.8225e-01 1.F35 N = 118.764(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.8669e-01 1.T36 C = 176.844(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.9050e-01 1.T36 CA = 62.552(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9800e-01 1.T36 CB = 69.516(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.9555e-01 1.T36 H = 7.740(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1998e-01 1.T36 N = 111.959(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.6623e-01 1.G37 C = 173.066(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6890e-01 1.G37 CA = 45.304(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7262e-01 1.G37 H = 7.504(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0381e-01 1.G37 N = 110.014(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2917e-01 1.K38 C = 172.473(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.7206e-02 1.K38 CA = 55.046(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8679e-01 1.K38 CB = 32.644(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3463e-01 1.K38 H = 7.345(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.5903e-01 1.K38 N = 116.779(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5726e-01 1.P39 C = 176.980(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.7894e-01 1.P39 CA = 63.316(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.9265e-01 1.P39 CB = 30.161(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.5233e-01 1.V40 C = 176.641(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.9101e-01 1.V40 CA = 61.788(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.0610e-01 1.V40 CB = 32.648(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6346e-01 1.V40 H = 8.747(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9518e-01 1.V40 N = 128.108(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2483e-01 1.D41 C = 174.626(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.1072e-01 1.D41 CA = 56.886(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7935e-01 1.D41 CB = 41.032(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.2525e-01 1.D41 H = 7.940(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2352e-01 1.D41 N = 128.889(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.2805e-02 1.G42 C = 173.558(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6819e-01 1.G42 CA = 44.548(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.4950e-01 1.G42 H = 7.909(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1718e-01 1.G42 N = 108.968(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5606e-01 1.Y43 C = 176.707(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.1132e-01 1.Y43 CA = 58.575(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.5928e-01 1.Y43 CB = 37.150(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.1508e-01 1.Y43 H = 8.255(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.2905e-01 1.Y43 N = 120.324(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6278e-01 1.E44 C = 177.089(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.1058e-01 1.E44 CA = 57.667(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.6813e-01 1.E44 CB = 30.459(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9406e-01 1.E44 H = 8.788(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3759e-01 1.E44 N = 121.868(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3066e-01 1.V45 C = 172.927(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.5637e-01 1.V45 CA = 59.118(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3839e-01 1.V45 CB = 35.295(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.5187e-01 1.V45 H = 7.196(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0250e-01 1.V45 N = 109.791(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2427e-02 1.N46 C = 174.266(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.7487e-01 1.N46 CA = 50.487(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.0439e-01 1.N46 CB = 34.501(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.3186e-02 1.R47 C = 173.903(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1684e-01 1.R47 CA = 53.372(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.4129e-01 1.R47 CB = 35.948(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.1339e-03 1.R47 H = 7.479(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.1220e-01 1.R47 N = 117.888(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2877e-01 1.I48 C = 176.288(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.1955e-01 1.I48 CA = 58.630(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6616e-01 1.I48 CB = 35.540(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.2609e-01 1.I48 H = 8.867(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.8801e-01 1.I48 N = 120.922(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9997e-01 1.V49 C = 175.428(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.1951e-01 1.V49 CA = 60.778(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4944e-01 1.V49 CB = 34.504(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.2166e-01 1.V49 H = 9.309(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2829e-01 1.V49 N = 130.328(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2992e-02 1.G50 C = 171.342(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.7873e-01 1.G50 CA = 46.295(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.8067e-01 1.G50 H = 8.659(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.1275e-01 1.G50 N = 109.988(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3451e-01 1.T51 C = 176.828(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.9360e-01 1.T51 CA = 61.649(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2551e-01 1.T51 CB = 71.135(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.8871e-01 1.T51 H = 8.069(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8270e-01 1.T51 N = 110.580(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.0823e-01 1.Y52 C = 178.515(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.1751e-01 1.Y52 CA = 62.661(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.1047e-02 1.Y52 CB = 37.235(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.3441e-01 1.Y52 H = 7.349(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.8347e-01 1.Y52 N = 118.927(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.0448e-01 1.E53 C = 180.134(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.4161e-02 1.E53 CA = 61.825(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1123e-02 1.E53 CB = 27.306(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.1593e-01 1.E53 H = 10.074(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.1173e-03 1.E53 N = 120.474(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.5509e-01 1.L54 C = 178.485(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5022e-01 1.L54 CA = 58.759(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4056e-01 1.L54 CB = 40.730(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.0067e-01 1.L54 H = 7.871(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8074e-01 1.L54 N = 123.355(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0147e-01 1.A55 C = 178.864(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.9771e-01 1.A55 CA = 55.874(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6734e-01 1.A55 CB = 17.798(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0778e-01 1.A55 H = 8.048(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0001e-01 1.A55 N = 121.009(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3040e-01 1.E56 C = 180.996(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.4354e-02 1.E56 CA = 59.899(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1721e-01 1.E56 CB = 29.037(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.7160e-01 1.E56 H = 8.466(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1770e-01 1.E56 N = 116.547(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.3611e-01 1.S57 C = 177.312(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.1756e-01 1.S57 CB = 63.719(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.5635e-01 1.S57 H = 7.738(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.5828e-01 1.S57 N = 116.706(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0367e-01 1.L58 C = 179.507(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0365e-01 1.L58 CA = 57.564(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6141e-01 1.L58 CB = 42.107(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1401e-01 1.L58 H = 8.851(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3938e-01 1.L58 N = 124.403(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.1437e-01 1.L59 C = 180.176(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0760e-01 1.L59 CA = 58.927(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2052e-01 1.L59 CB = 41.603(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.0687e-01 1.L59 H = 8.149(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0083e-01 1.L59 N = 121.555(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3767e-01 1.K60 C = 179.932(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9764e-02 1.K60 CA = 59.772(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9959e-01 1.K60 CB = 31.096(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.4126e-01 1.K60 H = 7.073(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2650e-02 1.K60 N = 119.402(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.6201e-01 1.A61 C = 179.509(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.0625e-01 1.A61 CA = 55.630(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0855e-01 1.A61 CB = 17.786(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0359e-01 1.A61 H = 8.206(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9202e-01 1.A61 N = 124.200(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8408e-01 1.K62 C = 180.476(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.5111e-02 1.K62 CA = 60.046(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5935e-01 1.K62 CB = 31.922(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.2580e-01 1.K62 H = 8.915(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.2692e-01 1.K62 N = 119.833(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4684e-01 1.E63 C = 179.683(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.4914e-01 1.E63 CA = 59.531(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.9010e-01 1.E63 CB = 29.162(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.2200e-01 1.E63 H = 7.893(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.5889e-01 1.E63 N = 121.616(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8575e-01 1.L64 C = 181.291(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9839e-02 1.L64 CA = 58.289(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1019e-01 1.L64 CB = 41.231(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.6601e-01 1.L64 H = 8.265(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5706e-01 1.L64 N = 122.452(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7935e-01 1.A65 C = 181.141(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.1033e-01 1.A65 CA = 55.839(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7284e-01 1.A65 CB = 17.260(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.3893e-01 1.A65 H = 9.191(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8602e-02 1.A65 N = 122.417(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1836e-01 1.A66 C = 182.957(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.4314e-02 1.A66 CA = 55.873(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6749e-01 1.A66 CB = 17.245(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.3481e-01 1.A66 H = 8.165(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5348e-01 1.A66 N = 121.577(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4054e-01 1.T67 C = 176.233(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.3608e-01 1.T67 CA = 65.767(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.7084e-01 1.T67 CB = 69.619(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.4571e-01 1.T67 H = 7.853(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3250e-01 1.T67 N = 113.087(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2331e-01 1.Q68 C = 175.399(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.4037e-01 1.Q68 CA = 55.620(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5710e-01 1.Q68 CB = 29.819(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.2964e-01 1.Q68 H = 7.266(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.0589e-01 1.Q68 N = 118.814(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.6502e-01 1.G69 C = 174.905(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8195e-01 1.G69 CA = 45.318(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8095e-01 1.G69 H = 7.718(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4643e-01 1.G69 N = 105.919(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3242e-01 1.Y70 C = 174.970(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.2893e-01 1.Y70 CA = 57.200(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.1100e-01 1.Y70 CB = 42.525(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.3786e-01 1.Y70 H = 8.413(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.9863e-01 1.Y70 N = 121.091(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.9186e-01 1.G71 C = 172.371(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.2525e-01 1.G71 CA = 43.078(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9976e-02 1.G71 H = 8.531(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.5715e-01 1.G71 N = 108.198(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0368e-01 1.L72 C = 175.182(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6117e-01 1.L72 CA = 53.726(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7389e-01 1.L72 CB = 43.783(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.3333e-01 1.L72 H = 8.470(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1196e-01 1.L72 N = 116.787(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9334e-01 1.L73 C = 173.784(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0541e-01 1.L73 CA = 53.106(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3789e-01 1.L73 CB = 43.127(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6387e-01 1.L73 H = 8.137(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8623e-01 1.L73 N = 124.018(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8004e-01 1.L74 C = 176.479(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.9634e-01 1.L74 CA = 54.514(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.0359e-01 1.L74 CB = 43.103(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7316e-01 1.L74 H = 8.769(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0697e-01 1.L74 N = 123.160(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3888e-01 1.W75 C = 176.854(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.1498e-01 1.W75 CA = 57.457(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.3729e-01 1.W75 CB = 30.989(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.2621e-01 1.W75 H = 8.709(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.9585e-01 1.W75 N = 120.970(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.6512e-01 1.D76 C = 175.259(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.1440e-01 1.D76 CA = 57.595(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.5242e-01 1.D76 CB = 44.489(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.5895e-02 1.D76 H = 7.258(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9710e-02 1.D76 N = 113.058(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9202e-02 1.G77 C = 174.080(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1106e-01 1.G77 CA = 45.505(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0791e-01 1.G77 H = 8.172(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0795e-01 1.G77 N = 117.388(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6118e-02 1.Y78 C = 171.444(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.6818e-02 1.Y78 CA = 59.332(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.3202e-01 1.Y78 CB = 38.628(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.4869e-01 1.Y78 H = 9.787(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.4475e-02 1.Y78 N = 133.383(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.1941e-03 1.R79 Typing: Mistyped 1.R79 C = 172.203(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.8227e-02 1.R79 CA = 50.761(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.2872e-03 1.R79 CB = 37.785(S), Expected = 30.70, Std = 1.8300, ChiSquare = 1.0813e-04 1.R79 H = 6.033(S), Expected = 8.24, Std = 0.6100, ChiSquare = 2.9685e-04 1.R79 N = 130.145(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1104e-02 1.P80 C = 178.911(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.5239e-01 1.P80 CA = 62.472(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.7243e-01 1.P80 CB = 32.209(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.6095e-01 1.K81 C = 179.553(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.4525e-01 1.K81 CA = 61.547(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.6659e-02 1.K81 CB = 32.148(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.1834e-01 1.K81 H = 8.973(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9189e-01 1.K81 N = 124.743(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.2730e-01 1.R82 C = 178.917(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1684e-01 1.R82 CA = 58.714(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.0004e-01 1.R82 CB = 27.843(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.1848e-01 1.R82 H = 8.987(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.2073e-01 1.R82 N = 115.477(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.4805e-01 1.A83 C = 179.085(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.2774e-01 1.A83 CA = 54.998(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.4805e-01 1.A83 CB = 18.966(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.8082e-01 1.A83 H = 7.454(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1374e-01 1.A83 N = 127.072(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7778e-01 1.V84 C = 179.876(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5091e-02 1.V84 CA = 66.699(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4111e-01 1.V84 CB = 30.983(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.2908e-01 1.V84 H = 6.748(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1364e-02 1.V84 N = 119.591(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3296e-01 1.N85 C = 178.489(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.2126e-02 1.N85 CA = 56.279(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.4514e-01 1.N85 CB = 37.538(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.9546e-01 1.N85 H = 8.341(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.9873e-01 1.N85 N = 117.453(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.1399e-01 1.S86 C = 178.488(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.4523e-02 1.S86 CB = 62.116(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.5519e-01 1.S86 H = 7.623(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.6547e-01 1.S86 N = 117.938(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3762e-01 1.F87 C = 178.972(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.4274e-02 1.F87 CA = 59.082(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.9662e-01 1.F87 CB = 36.941(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.4461e-01 1.F87 H = 8.024(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4074e-01 1.F87 N = 123.684(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.3912e-01 1.M88 C = 180.190(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.5027e-02 1.M88 CA = 58.047(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.8506e-01 1.M88 CB = 31.170(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.1651e-01 1.M88 H = 7.767(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.1127e-01 1.M88 N = 118.041(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.6600e-01 1.Q89 C = 179.923(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.3908e-02 1.Q89 CA = 59.088(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3934e-01 1.Q89 CB = 28.055(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.3287e-01 1.Q89 H = 8.040(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6030e-01 1.Q89 N = 120.100(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.5348e-01 1.W90 C = 179.802(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.6975e-02 1.W90 CA = 62.161(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.1059e-02 1.W90 CB = 28.019(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.2191e-01 1.W90 H = 8.606(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.8916e-01 1.W90 N = 123.613(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.4377e-01 1.A91 C = 176.777(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5119e-01 1.A91 CA = 54.697(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3165e-01 1.A91 CB = 17.557(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.2720e-01 1.A91 H = 8.381(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6291e-01 1.A91 N = 121.517(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2846e-01 1.A92 C = 178.444(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.4101e-01 1.A92 CA = 51.668(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5722e-01 1.A92 CB = 19.034(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.8954e-01 1.A92 H = 7.075(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0793e-02 1.A92 N = 117.731(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2033e-01 1.Q93 C = 173.716(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.8343e-01 1.Q93 CA = 54.250(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7832e-01 1.Q93 CB = 27.087(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.4789e-01 1.Q93 H = 7.193(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.1740e-02 1.Q93 N = 120.389(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.8976e-01 1.P94 C = 176.845(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.4984e-01 1.P94 CA = 62.559(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.1199e-01 1.P94 CB = 31.547(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.9735e-01 1.E95 C = 176.309(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7358e-01 1.E95 CA = 57.206(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.5650e-01 1.E95 CB = 30.464(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9182e-01 1.E95 H = 8.369(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4730e-01 1.E95 N = 122.092(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8282e-01 1.N96 C = 176.851(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.7711e-01 1.N96 CA = 52.559(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.0180e-01 1.N96 CB = 38.628(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.7074e-01 1.N96 H = 7.495(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7983e-01 1.N96 N = 125.347(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.1132e-01 1.N97 C = 175.747(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.8987e-01 1.N97 CA = 55.809(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.2746e-01 1.N97 CB = 37.822(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.0752e-01 1.N97 H = 10.702(S), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7740e-04 1.N97 N = 117.736(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.6702e-01 1.L98 C = 179.613(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.8525e-01 1.L98 CA = 58.937(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1940e-01 1.L98 CB = 42.489(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2415e-01 1.L98 H = 7.598(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3090e-01 1.L98 N = 121.286(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8299e-01 1.T99 C = 175.778(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.8180e-01 1.T99 CA = 61.103(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.6627e-01 1.T99 CB = 70.466(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5160e-01 1.T99 H = 9.008(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1545e-01 1.T99 N = 107.013(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6745e-02 1.K100 C = 178.241(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.2342e-01 1.K100 CA = 60.050(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5881e-01 1.K100 CB = 32.485(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6395e-01 1.K100 H = 6.535(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8097e-03 1.K100 N = 123.430(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2784e-01 1.E101 C = 178.249(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.7946e-01 1.E101 CA = 59.899(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1721e-01 1.E101 CB = 28.928(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.2930e-01 1.E101 H = 8.463(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2165e-01 1.E101 N = 116.635(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4626e-01 1.S102 C = 175.090(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.8466e-01 1.S102 CA = 60.659(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4891e-01 1.S102 CB = 64.227(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7295e-01 1.S102 H = 7.376(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2547e-01 1.S102 N = 109.297(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.7277e-02 1.Y103 C = 173.253(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.8063e-01 1.Y103 CA = 61.378(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.9566e-01 1.Y103 CB = 41.150(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.9687e-01 1.Y103 H = 7.565(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.0102e-01 1.Y103 N = 114.686(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.6482e-01 1.Y104 C = 173.241(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.7796e-01 1.Y104 CA = 55.072(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.2310e-01 1.Y104 CB = 34.275(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.9510e-02 1.Y104 H = 8.658(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.4335e-01 1.Y104 N = 114.600(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.5868e-01 1.P105 C = 178.590(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.2302e-01 1.P105 CA = 65.421(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.6893e-01 1.P105 CB = 31.500(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.6676e-01 1.N106 C = 175.064(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.0838e-01 1.N106 CA = 53.537(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.9873e-01 1.N106 CB = 40.354(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.2481e-01 1.N106 H = 8.725(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.4113e-01 1.N106 N = 113.253(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.5893e-01 1.I107 C = 173.893(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.0807e-01 1.I107 CA = 59.558(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4387e-01 1.I107 CB = 41.637(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.3659e-01 1.I107 H = 7.131(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1084e-02 1.I107 N = 115.522(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.6532e-01 1.D108 C = 178.798(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.7060e-01 1.D108 CA = 53.049(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1888e-01 1.D108 CB = 43.108(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6904e-01 1.D108 H = 8.499(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4453e-01 1.D108 N = 119.701(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0579e-01 1.R109 C = 179.061(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.9158e-01 1.R109 CA = 60.541(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0258e-01 1.R109 CB = 30.109(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.4673e-01 1.R109 H = 8.933(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.5593e-01 1.R109 N = 121.211(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1107e-01 1.T110 C = 178.031(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.7309e-02 1.T110 CA = 65.163(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5583e-01 1.T110 CB = 68.737(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.4239e-01 1.T110 H = 7.887(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.6912e-01 1.T110 N = 108.291(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3340e-01 1.E111 C = 178.307(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.6117e-01 1.E111 CA = 57.372(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.8015e-01 1.E111 CB = 30.384(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2786e-01 1.E111 H = 8.020(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9929e-01 1.E111 N = 122.719(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5600e-01 1.M112 C = 177.590(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.9990e-01 1.M112 CA = 60.744(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.7707e-02 1.M112 CB = 32.480(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.1990e-01 1.M112 H = 7.789(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.3245e-01 1.M112 N = 119.494(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.6741e-01 1.I113 C = 181.108(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.1712e-03 1.I113 CA = 63.495(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.8183e-01 1.I113 H = 6.915(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4712e-02 1.I113 N = 116.954(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9243e-01 1.S114 C = 177.725(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1038e-02 1.S114 CA = 61.894(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2519e-01 1.S114 H = 8.372(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7609e-01 1.S114 N = 118.226(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8037e-01 1.K115 C = 177.546(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.5055e-01 1.K115 CA = 57.114(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4058e-01 1.K115 CB = 32.689(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5475e-01 1.K115 H = 8.326(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2068e-01 1.K115 N = 117.947(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1046e-01 1.G116 C = 175.039(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.3407e-01 1.G116 CA = 46.089(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8130e-01 1.G116 H = 8.670(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.0092e-01 1.G116 N = 108.883(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3885e-01 1.Y117 C = 174.295(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.7871e-01 1.Y117 CA = 61.206(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.2039e-01 1.Y117 CB = 38.672(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.6418e-01 1.Y117 H = 7.500(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.6132e-01 1.Y117 N = 119.533(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.1421e-01 1.A119 CA = 49.251(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.9514e-02 1.A119 H = 10.095(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5867e-03 1.A119 N = 130.341(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4563e-02 1.S120 CA = 55.088(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.9330e-02 1.S120 H = 9.066(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8279e-01 1.S120 N = 115.768(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.8435e-01 1.S122 CA = 54.352(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4846e-02 1.S122 H = 9.067(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8224e-01 1.S122 N = 115.740(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7808e-01 1.S123 C = 172.431(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.0313e-01 1.S123 CA = 60.019(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.3031e-01 1.S123 CB = 63.654(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.2142e-01 1.S123 H = 8.509(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9792e-01 1.S123 N = 119.341(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8452e-01 1.H124 C = 180.851(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.4670e-03 1.H124 CA = 55.597(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.8948e-01 1.H124 CB = 31.117(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.7181e-01 1.H124 H = 7.710(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.3574e-01 1.H124 N = 121.203(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.0524e-01 1.S125 C = 173.202(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.0970e-01 1.S125 CA = 59.283(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8564e-01 1.S125 CB = 63.093(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.3286e-01 1.S125 H = 8.510(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9666e-01 1.S125 N = 119.409(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7405e-01 1.R126 C = 180.088(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.0014e-02 1.R126 CA = 55.285(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.2032e-01 1.R126 CB = 29.422(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.8495e-01 1.R126 H = 7.446(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.9304e-01 1.R126 N = 116.969(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.9786e-01 1.G127 C = 174.001(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4445e-01 1.G127 CA = 48.558(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6664e-02 1.G127 H = 7.530(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.1841e-01 1.G127 N = 102.068(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9491e-02 1.S128 CA = 56.973(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9869e-01 1.S128 CB = 63.344(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.5800e-01 1.S128 H = 8.467(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.5128e-01 1.S128 N = 114.025(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.2177e-01 1.A129 C = 175.602(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.1550e-01 1.A129 CA = 49.524(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7811e-02 1.A129 CB = 20.988(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7975e-01 1.I130 C = 170.622(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.4708e-03 1.I130 CA = 56.190(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.3136e-02 1.I130 CB = 44.633(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.9608e-03 1.I130 H = 9.080(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3941e-01 1.I130 N = 118.245(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5255e-01 1.D131 C = 176.265(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.3851e-01 1.D131 CA = 52.847(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6394e-01 1.D131 CB = 43.922(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.0412e-02 1.D131 H = 8.802(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.9628e-01 1.D131 N = 126.919(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.0436e-01 1.L132 C = 171.562(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.1175e-03 1.L132 CA = 55.562(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7828e-01 1.L132 CB = 45.377(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0281e-01 1.L132 H = 9.648(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9144e-02 1.L132 N = 127.659(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3703e-01 1.T133 C = 173.617(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.9998e-01 1.T133 CA = 58.792(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.8565e-01 1.T133 CB = 70.127(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0757e-01 1.T133 H = 7.765(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.4360e-01 1.T133 N = 106.112(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.0045e-02 1.L134 C = 177.609(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.5456e-01 1.L134 CA = 52.699(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7026e-01 1.L134 CB = 45.732(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.8727e-02 1.L134 H = 7.926(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4000e-01 1.L134 N = 116.280(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5250e-01 1.Y135 C = 174.586(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.8251e-01 1.Y135 CA = 56.528(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.2331e-01 1.Y135 CB = 42.291(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.6899e-01 1.Y135 H = 8.462(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.4577e-01 1.Y135 N = 117.140(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.2096e-01 1.R136 C = 177.918(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.5757e-01 1.R136 CA = 56.368(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.6185e-01 1.R136 CB = 30.731(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.8648e-01 1.R136 H = 9.502(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8560e-02 1.R136 N = 122.039(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3635e-01 1.L137 C = 179.222(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.5963e-01 1.L137 CA = 57.424(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9702e-01 1.L137 CB = 41.197(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.5384e-01 1.L137 H = 8.277(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4236e-01 1.L137 N = 122.528(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6400e-01 1.D138 C = 179.147(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.1648e-01 1.D138 CA = 56.528(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6524e-01 1.D138 CB = 38.651(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6884e-01 1.D138 H = 8.783(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1478e-01 1.D138 N = 117.342(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.9145e-01 1.T139 C = 177.044(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.5481e-01 1.T139 CA = 61.665(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3032e-01 1.T139 CB = 70.889(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.7706e-01 1.T139 H = 8.454(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2997e-01 1.T139 N = 109.600(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2048e-01 1.G140 C = 174.404(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7638e-01 1.G140 CA = 46.562(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6574e-01 1.G140 H = 7.862(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7153e-01 1.G140 N = 111.384(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5784e-01 1.E141 C = 177.571(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1923e-01 1.E141 CA = 56.838(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.1761e-01 1.E141 CB = 31.275(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6206e-01 1.E141 H = 7.660(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5613e-01 1.E141 N = 117.900(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2605e-01 1.L142 C = 178.216(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3579e-01 1.L142 CA = 56.190(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8900e-01 1.L142 CB = 41.045(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.0103e-01 1.L142 H = 8.774(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0264e-01 1.L142 N = 124.132(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6019e-01 1.V143 C = 174.687(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.2339e-01 1.V143 CA = 60.332(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.5052e-01 1.V143 CB = 32.000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.8340e-01 1.V143 H = 7.356(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6331e-01 1.V143 N = 124.697(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.3335e-01 1.P144 C = 177.229(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.5108e-01 1.P144 CA = 64.064(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.2917e-01 1.P144 CB = 31.581(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.1967e-01 1.M145 C = 179.730(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.9401e-02 1.M145 CA = 53.669(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.7368e-01 1.M145 CB = 33.706(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.4924e-01 1.M145 H = 8.051(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.2759e-01 1.M145 N = 121.205(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.5479e-01 1.G146 C = 173.212(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2634e-01 1.G146 CA = 46.494(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9325e-01 1.G146 H = 8.835(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3720e-01 1.G146 N = 112.694(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3457e-01 1.S147 C = 173.269(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.3218e-01 1.S147 CA = 58.169(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.9010e-01 1.S147 CB = 65.825(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.7124e-01 1.S147 H = 7.127(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.0673e-02 1.S147 N = 109.798(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5552e-02 1.R148 C = 175.011(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.9072e-01 1.R148 CA = 54.855(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.0710e-01 1.R148 CB = 31.594(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.2518e-01 1.R148 H = 7.723(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.9669e-01 1.R148 N = 117.775(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.1107e-01 1.F149 C = 175.615(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.2194e-01 1.F149 CA = 58.051(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.9100e-01 1.F149 CB = 36.227(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.1785e-02 1.F149 H = 7.217(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1240e-01 1.F149 N = 118.701(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7564e-01 1.D150 C = 172.648(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.2033e-02 1.D150 CA = 58.033(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.9600e-02 1.D150 CB = 36.915(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.4384e-02 1.D150 H = 3.458(A), Expected = 8.31, Std = 0.5800, ChiSquare = 5.9852e-17 1.F151 C = 176.262(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.7221e-01 1.F151 CA = 58.473(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.7846e-01 1.F151 CB = 38.632(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.1585e-01 1.F151 H = 7.125(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.6294e-02 1.F151 N = 115.517(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.3794e-01 1.M152 C = 181.985(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.4777e-03 1.M152 CA = 55.662(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.4078e-01 1.M152 CB = 29.667(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.3795e-01 1.M152 H = 9.018(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.0647e-01 1.M152 N = 134.755(S), Expected = 120.09, Std = 3.5700, ChiSquare = 3.9937e-05 1.D153 Typing: Mistyped 1.D153 C = 175.202(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.9361e-01 1.D153 CB = 49.449(S), Expected = 40.88, Std = 1.6200, ChiSquare = 1.2265e-07 1.E154 C = 178.126(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1951e-01 1.E154 CA = 58.676(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1647e-01 1.E154 CB = 28.646(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.2776e-01 1.E154 H = 8.511(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5901e-01 1.E154 N = 125.343(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7933e-01 1.R155 C = 179.301(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.5441e-01 1.R155 CA = 58.962(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.4266e-01 1.R155 CB = 30.928(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0085e-01 1.R155 H = 9.616(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.4087e-02 1.R155 N = 120.127(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.5489e-01 1.S156 C = 171.869(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.0973e-01 1.S156 CA = 59.946(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.5367e-01 1.S156 CB = 63.928(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.3108e-01 1.S156 H = 8.441(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8494e-01 1.S156 N = 116.432(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6556e-01 1.H157 C = 178.346(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.1605e-01 1.H157 CA = 54.861(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.7265e-01 1.H157 CB = 30.556(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.7867e-01 1.H157 H = 7.709(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.3487e-01 1.H157 N = 121.170(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.1138e-01 1.H158 C = 177.672(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.1891e-01 1.H158 CA = 61.913(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.9563e-02 1.H158 CB = 31.058(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.9272e-01 1.H158 H = 8.389(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.2656e-01 1.H158 N = 122.912(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.2053e-01 1.A159 C = 177.386(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6800e-01 1.A159 CA = 51.807(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0080e-01 1.A159 CB = 17.469(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.9975e-01 1.A160 C = 178.627(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.7709e-01 1.A160 CA = 53.613(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1119e-01 1.A160 CB = 20.238(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0220e-01 1.A160 H = 7.192(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2957e-02 1.A160 N = 121.585(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4215e-01 1.N161 C = 177.234(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.7255e-01 1.N161 CA = 53.581(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.8260e-01 1.N161 CB = 39.487(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.3721e-01 1.N161 H = 8.456(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.5391e-01 1.N161 N = 118.597(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.3415e-01 1.G162 C = 175.137(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.0035e-01 1.G162 CA = 46.237(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0801e-01 1.G162 H = 8.383(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3501e-01 1.G162 N = 110.623(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0549e-01 1.I163 C = 176.220(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.4719e-01 1.I163 CA = 59.933(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.3148e-01 1.I163 CB = 37.933(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.3006e-01 1.I163 H = 6.711(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1035e-02 1.I163 N = 112.244(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.1297e-02 1.S164 C = 175.722(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.2172e-01 1.S164 CA = 58.359(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6155e-01 1.S164 CB = 64.963(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.3198e-01 1.S164 H = 9.002(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2105e-01 1.S164 N = 120.091(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.7895e-01 1.N166 C = 177.302(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.5629e-01 1.N166 CA = 56.843(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.8932e-02 1.N166 CB = 38.008(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.8654e-01 1.E167 C = 179.043(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.6513e-01 1.E167 CA = 59.398(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.2010e-01 1.E167 CB = 28.632(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.2304e-01 1.E167 H = 7.466(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4308e-01 1.E167 N = 121.089(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0416e-01 1.A168 C = 181.841(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.4185e-02 1.A168 CA = 55.815(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7669e-01 1.A168 CB = 17.797(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0743e-01 1.A168 H = 8.386(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5656e-01 1.A168 N = 121.238(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7363e-01 1.Q169 C = 179.084(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.5486e-01 1.Q169 CA = 59.002(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5577e-01 1.Q169 CB = 28.083(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.4303e-01 1.Q169 H = 8.112(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5476e-01 1.Q169 N = 119.322(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7463e-01 1.N170 C = 178.097(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.1426e-01 1.N170 CA = 56.322(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3893e-01 1.N170 CB = 37.943(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.5848e-01 1.N170 H = 8.267(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.0775e-01 1.N170 N = 121.968(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.5094e-01 1.R171 C = 179.104(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.8448e-01 1.R171 CA = 60.702(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.8725e-02 1.R171 CB = 30.721(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9084e-01 1.R171 H = 7.906(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.8401e-01 1.R171 N = 121.203(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1280e-01 1.R172 C = 180.120(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.7612e-02 1.R172 CA = 59.542(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3014e-01 1.R172 CB = 29.621(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.5545e-01 1.R172 H = 7.609(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0094e-01 1.R172 N = 119.065(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.3731e-01 1.R173 C = 179.684(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.0679e-01 1.R173 CA = 59.214(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9005e-01 1.R173 CB = 28.977(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.4643e-01 1.R173 H = 8.294(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2946e-01 1.R173 N = 122.050(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3410e-01 1.L174 C = 177.481(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.0415e-01 1.L174 CA = 58.684(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5029e-01 1.L174 CB = 41.003(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.8692e-01 1.L174 H = 7.577(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1508e-01 1.L174 N = 120.440(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1578e-01 1.R175 C = 178.402(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.2645e-01 1.R175 CA = 60.477(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0855e-01 1.R175 CB = 29.822(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.3138e-01 1.R175 H = 8.509(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5922e-01 1.R175 N = 118.955(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.1612e-01 1.S176 C = 178.043(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.6578e-02 1.S176 CA = 61.957(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.1787e-01 1.S176 CB = 63.047(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.1090e-01 1.S176 H = 8.339(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2034e-01 1.S176 N = 113.235(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8701e-01 1.I177 C = 178.585(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.5431e-01 1.I177 CA = 65.593(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3723e-01 1.I177 CB = 38.275(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.6050e-01 1.I177 H = 7.795(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7570e-01 1.I177 N = 123.443(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4314e-01 1.M178 C = 181.830(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.8645e-03 1.M178 CA = 56.412(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.9228e-01 1.M178 CB = 29.219(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.2282e-02 1.M178 H = 7.766(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.1032e-01 1.M178 N = 116.950(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.7910e-01 1.E179 C = 181.600(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.5281e-02 1.E179 CA = 59.437(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1110e-01 1.E179 CB = 28.988(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.5239e-01 1.E179 H = 9.423(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3948e-02 1.E179 N = 123.792(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6965e-01 1.N180 C = 176.251(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.8366e-01 1.N180 CA = 55.670(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5722e-01 1.N180 CB = 38.937(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8380e-01 1.N180 H = 8.134(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.4368e-01 1.N180 N = 116.915(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.1707e-01 1.S181 C = 173.514(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.2021e-01 1.S181 CA = 58.874(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4070e-01 1.S181 CB = 64.026(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7863e-01 1.S181 H = 7.645(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8181e-01 1.S181 N = 114.408(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9485e-01 1.G182 C = 174.868(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.9552e-01 1.G182 CA = 45.002(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9509e-01 1.G182 H = 7.463(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.8225e-01 1.G182 N = 104.003(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4310e-01 1.F183 C = 175.080(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.6434e-01 1.F183 CA = 57.722(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.8921e-01 1.F183 CB = 41.376(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.0723e-01 1.F183 H = 8.120(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.3888e-01 1.F183 N = 118.208(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.9171e-01 1.E184 C = 176.420(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.1749e-01 1.E184 CA = 55.174(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0452e-01 1.E184 CB = 32.481(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5082e-01 1.E184 H = 9.675(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.2628e-02 1.E184 N = 119.897(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2422e-01 1.A185 C = 176.557(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.7862e-01 1.A185 CA = 51.097(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0216e-01 1.A185 CB = 21.097(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.5410e-01 1.A185 H = 9.103(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3232e-01 1.A185 N = 126.707(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2600e-01 1.Y186 C = 176.624(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.3850e-01 1.Y186 CA = 54.835(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.8927e-01 1.Y186 CB = 41.642(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.8237e-01 1.Y186 H = 9.205(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.2539e-01 1.Y186 N = 122.041(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.1725e-01 1.S187 Typing: Mistyped 1.S187 CA = 41.580(A), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2298e-16 1.E189 C = 176.858(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9509e-01 1.E189 CA = 53.783(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.0580e-02 1.E189 CB = 32.490(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.4934e-01 1.E189 H = 6.394(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0331e-03 1.E189 N = 112.357(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6904e-02 1.W190 C = 174.822(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.1843e-01 1.W190 CA = 58.501(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.4445e-01 1.W190 CB = 28.855(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.6554e-01 1.W190 H = 7.274(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.9842e-01 1.W190 N = 121.524(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.7023e-01 1.W191 C = 175.313(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.8806e-01 1.W191 CA = 58.805(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.5719e-01 1.W191 H = 5.454(S), Expected = 8.29, Std = 0.7900, ChiSquare = 3.3084e-04 1.W191 N = 115.229(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.2276e-01 1.H192 C = 174.250(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.1172e-01 1.H192 CA = 57.318(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.2975e-01 1.H192 CB = 34.279(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.1032e-02 1.H192 H = 6.245(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.3481e-03 1.H192 N = 121.449(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.6012e-01 1.Y193 C = 173.961(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.6961e-01 1.Y193 CA = 57.294(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3908e-01 1.Y193 CB = 42.932(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.4481e-02 1.Y193 H = 8.552(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.5063e-01 1.Y193 N = 124.521(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.4078e-01 1.V194 C = 175.108(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.8757e-01 1.V194 CA = 59.843(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.5469e-01 1.V194 CB = 35.501(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2161e-01 1.V194 H = 8.465(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9394e-01 1.V194 N = 119.314(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8753e-01 1.L195 C = 177.101(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5529e-01 1.L195 CA = 56.401(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.1387e-01 1.L195 CB = 43.118(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6735e-01 1.L195 H = 8.195(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5706e-01 1.L195 N = 128.975(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8098e-02 1.R196 C = 177.117(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.2763e-01 1.R196 CA = 58.847(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.6858e-01 1.R196 CB = 30.068(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.2983e-01 1.R196 H = 8.138(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6720e-01 1.R196 N = 123.957(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.9096e-01 1.D197 C = 175.601(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.4798e-01 1.D197 CA = 53.520(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.6438e-01 1.D197 CB = 39.600(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.2946e-01 1.D197 H = 8.347(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4914e-01 1.D197 N = 119.814(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2854e-01 1.E198 C = 174.731(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.7268e-01 1.E198 CA = 54.014(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.1369e-01 1.E198 CB = 29.385(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.1633e-01 1.E198 H = 7.474(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4682e-01 1.E198 N = 118.240(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8500e-01 1.P199 C = 177.058(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.3837e-01 1.P199 CB = 30.408(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.2169e-01 1.Y200 CA = 53.768(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.2238e-02 1.Y200 CB = 37.497(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.9868e-01 1.Y200 H = 7.271(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.5072e-01 1.Y200 N = 115.312(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.1498e-01 1.P201 C = 176.628(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3561e-01 1.P201 CA = 64.909(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.9889e-01 1.P201 CB = 31.922(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.5135e-01 1.N202 C = 174.964(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.6426e-01 1.N202 CA = 52.569(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.0551e-01 1.N202 CB = 40.714(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.3106e-01 1.N202 H = 8.534(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5813e-01 1.N202 N = 114.901(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.1743e-01 1.S203 C = 168.903(S), Expected = 174.62, Std = 1.7200, ChiSquare = 8.8788e-04 1.S203 CA = 57.864(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.7922e-01 1.S203 CB = 65.151(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.6133e-01 1.S203 H = 6.710(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.7905e-03 1.S203 N = 116.638(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1899e-01 1.Y204 C = 175.859(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.1758e-01 1.Y204 CA = 56.729(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.7673e-01 1.Y204 CB = 39.001(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.8259e-01 1.Y204 H = 7.841(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.1172e-01 1.Y204 N = 120.146(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.2904e-01 1.F205 C = 175.198(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.1117e-01 1.F205 CA = 59.218(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.5791e-01 1.F205 CB = 41.099(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.9568e-01 1.F205 H = 8.179(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.0151e-01 1.F205 N = 123.025(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3788e-01 1.D206 C = 176.130(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.7738e-01 1.D206 CA = 53.783(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5502e-01 1.D206 CB = 43.859(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.5932e-02 1.D206 H = 9.039(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.0879e-01 1.D206 N = 116.785(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.1668e-01 1.F207 C = 174.990(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.2893e-01 1.F207 CA = 54.105(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.2194e-01 1.F207 CB = 37.111(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.6835e-01 1.F207 H = 6.832(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.3819e-02 1.F207 N = 117.955(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.5058e-01 1.P208 C = 176.031(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.3396e-01 1.P208 CA = 63.056(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5695e-01 1.P208 CB = 31.888(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.7431e-01 1.V209 C = 173.524(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6996e-01 1.V209 CA = 64.103(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.7276e-01 1.V209 CB = 30.073(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.3771e-01 1.V209 H = 8.696(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4453e-01 1.V209 N = 122.583(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5061e-01 1.K210 C = 178.984(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.4120e-01 1.K210 CA = 58.489(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8421e-01 1.K210 CB = 34.231(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.1820e-01 1.K210 H = 7.385(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.7970e-01 1.K210 N = 132.079(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4394e-03