Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.28 Q 0.27 K 0.19 E 0.09 H 0.04 R 0.04 W 0.02 Y 0.01 C Shift Assignments>> C :: 173.6531842(D) CA :: 55.65989325(D) CB :: 34.39864836(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) 1.E2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 Q 0.28 K 0.21 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 174.1913939(D) CA :: 55.37567753(D) CB :: 33.81252391(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 :: 8.78345545(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.368036(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.65 L 0.23 K 0.05 R 0.01 C Shift Assignments>> C :: 174.4261177(D) CA :: 50.40396434(D) CB :: 24.99484764(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.963487956(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2701968(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.28 I 0.14 K 0.12 L 0.07 D 0.03 C Shift Assignments>> C :: 176.1613226(D) CA :: 59.28202663(D) CB :: 40.93929041(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 :: 8.831656924(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.1131679(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.73 L 0.24 M 0.01 C Shift Assignments>> C :: 179.0149945(D) CA :: 52.92593597(D) CB :: 21.439302(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.778360597(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.2123843(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.24 Q 0.23 R 0.08 H 0.08 W 0.05 E 0.03 C Shift Assignments>> C :: 174.4334688(D) CA :: 56.61806539(D) CB :: 33.3486224(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.403853751(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.076957(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.19 E 0.13 K 0.13 N 0.08 H 0.02 Y 0.02 R 0.02 F 0.01 W 0.01 C Shift Assignments>> C :: 173.0633656(D) CA :: 53.7374052(D) CB :: 35.05204257(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 :: 7.448666556(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.1328448(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.25 K 0.19 F 0.09 R 0.06 Y 0.06 N 0.04 HN Overlap>> 1.D14 1.D14 C Shift Assignments>> C :: 175.7466363(D) CA :: 54.91882597(D) CB :: 41.82505192(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 :: 8.501251558(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 :: 119.0769122(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.28 L 0.22 K 0.17 F 0.12 Y 0.08 D 0.06 G 0.01 I 0.01 C Shift Assignments>> C :: 173.6698185(D) CA :: 57.32808541(D) CB :: 42.79499877(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 :: 8.55065132(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.3555325(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.6117618(D) CA :: 55.68851099(D) CB :: 63.49109824(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.624580899(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 :: 123.607542(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 L 0.12 M 0.02 C Shift Assignments>> C :: 178.5145964(D) CA :: 52.89531243(D) CB :: 20.92530845(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.254335519(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.4951596(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.4981522(D) CA :: 61.9148632(D) CB :: 70.1257834(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 :: 9.106457434(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 :: 113.8325368(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.69 L 0.29 C Shift Assignments>> C :: 178.2716095(D) CA :: 50.76458069(D) CB :: 22.26374836(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.545043613(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1565241(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.2 L 0.18 D 0.18 K 0.1 N 0.03 I 0.03 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> C :: 176.1605768(D) CA :: 56.72614693(D) CB :: 40.70142656(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 :: 8.593858086(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 :: 119.1235914(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.34 L 0.13 F 0.08 Y 0.07 K 0.01 C Shift Assignments>> C :: 176.1994316(D) CA :: 53.35109347(D) CB :: 40.08727605(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 :: 8.246331778(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 :: 114.7263248(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 K 0.21 Q 0.19 R 0.1 H 0.1 W 0.06 E 0.04 C Shift Assignments>> C :: 175.2538006(D) CA :: 55.32049261(D) CB :: 33.00493333(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 :: 7.406273286(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 :: 119.3204594(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.13 D 0.01 R 0.01 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 174.4556311(D) CA :: 53.59699487(D) CB :: 45.42281998(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 :: 8.554664862(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 :: 124.7285436(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.8409866(D) CA :: 58.98244725(D) CB :: 64.65338984(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.852190273(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 :: 117.5291301(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.21 L 0.17 D 0.16 K 0.1 I 0.03 N 0.03 C Shift Assignments>> C :: 173.9269672(D) CA :: 56.85714706(D) CB :: 40.7043394(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 :: 8.671570108(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 :: 114.6878119(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.18 K 0.18 H 0.1 R 0.1 W 0.05 E 0.02 C Shift Assignments>> C :: 175.8685236(D) CA :: 53.2129813(D) CB :: 33.09353271(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 :: 9.409799785(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 :: 119.2881016(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.K21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 Q 0.2 M 0.2 R 0.1 W 0.08 H 0.08 E 0.05 HN Overlap>> 1.L47 1.L47 C Shift Assignments>> C :: 177.3922927(D) CA :: 58.18044865(D) CB :: 33.20847479(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.223711151(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.446572(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.4777099(D) CA :: 66.5684836(D) CB :: 69.40177385(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 :: 8.808913153(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.1121305(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 E 0.18 R 0.15 H 0.14 Q 0.11 K 0.08 M 0.05 I 0.04 C Shift Assignments>> C :: 174.2236293(D) CA :: 58.98578612(D) CB :: 30.25088289(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 :: 8.190521104(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 :: 120.7213938(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 Y 0.3 F 0.22 E 0.08 M 0.01 C Shift Assignments>> C :: 175.8026673(D) CA :: 59.80066661(D) CB :: 37.85520977(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 :: 8.176267099(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 :: 120.4651112(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 L 0.27 R 0.08 D 0.04 F 0.01 C Shift Assignments>> C :: 175.4652969(D) CA :: 53.94166263(D) CB :: 44.74249357(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 :: 9.084282964(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 :: 128.0470069(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 K 0.22 Q 0.2 R 0.1 H 0.09 W 0.06 E 0.03 C Shift Assignments>> C :: 175.9494618(D) CA :: 55.45973674(D) CB :: 33.07394733(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 :: 8.221968472(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.9326584(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.35 I 0.12 M 0.12 Y 0.11 K 0.11 Q 0.08 F 0.05 W 0.01 H 0.01 R 0.01 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 175.6921836(D) CA :: 59.25019633(D) CB :: 35.50109907(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 :: 8.559899575(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 :: 124.7023801(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.24 K 0.14 D 0.14 F 0.08 Y 0.05 G 0.01 C Shift Assignments>> C :: 177.3541677(D) CA :: 55.55586135(D) CB :: 42.74337288(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 :: 9.221077866(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 :: 128.5396235(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.24 K 0.12 N 0.1 F 0.09 Y 0.06 R 0.02 C Shift Assignments>> C :: 173.5776115(D) CA :: 54.12027012(D) CB :: 41.32363519(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 :: 7.637594401(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 :: 114.1761683(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 Q 0.22 K 0.21 R 0.09 H 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 174.6402771(D) CA :: 55.11602965(D) CB :: 33.21597728(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 :: 8.802578781(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.4374901(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 M 0.15 W 0.13 E 0.13 K 0.12 Q 0.09 C Shift Assignments>> C :: 176.7880326(D) CA :: 56.54329099(D) CB :: 31.27822457(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 :: 8.101914752(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 :: 121.3301767(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 L 0.19 D 0.19 Y 0.18 K 0.13 N 0.03 I 0.02 C Shift Assignments>> C :: 176.4470918(D) CA :: 56.52910526(D) CB :: 40.87225861(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 :: 8.423332476(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 :: 121.3197875(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.26 K 0.15 R 0.11 F 0.06 Y 0.04 N 0.04 HN Overlap>> 1.H58 1.H58 C Shift Assignments>> C :: 175.4874158(D) CA :: 54.173324(D) CB :: 42.21202852(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 :: 8.254260926(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.9225757(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.9963458(D) CA :: 59.26471157(D) CB :: 64.09289762(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.171928115(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 :: 115.8956988(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.33 D 0.29 F 0.12 L 0.11 Y 0.11 C Shift Assignments>> C :: 174.6843808(D) CA :: 54.15508112(D) CB :: 39.61994626(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 :: 8.916743056(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 :: 119.5035185(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.18 R 0.16 H 0.15 W 0.11 E 0.09 Q 0.06 C Shift Assignments>> C :: 174.9982279(D) CA :: 56.03579794(D) CB :: 31.96513318(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 :: 7.99481728(D) HE1 :: 9.99979401(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 :: 121.401219(D) NE1 :: 128.6708621(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.3 L 0.1 F 0.07 Y 0.06 C Shift Assignments>> C :: 175.3717823(D) CA :: 52.943123(D) CB :: 39.75891758(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 :: 8.970092602(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 :: 120.6454622(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 M 0.17 H 0.16 K 0.14 W 0.13 E 0.12 Q 0.08 C Shift Assignments>> C :: 175.2460605(D) CA :: 56.42129711(D) CB :: 31.46999576(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 :: 8.720410045(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 :: 121.3019326(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.A39 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.81 L 0.09 R 0.03 K 0.01 C Shift Assignments>> C :: 173.3394661(D) CA :: 50.83133254(D) CB :: 26.09882734(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.564185014(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.3549508(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.32 Q 0.29 K 0.2 H 0.05 R 0.05 W 0.02 E 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 174.8253765(D) CA :: 54.65361103(D) CB :: 34.1531727(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 :: 8.939193422(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 :: 118.4371127(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.17 C Shift Assignments>> C :: 175.9478108(D) CA :: 54.93702872(D) CB :: 45.94046216(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 :: 8.92518435(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.8672429(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 F 0.21 Y 0.19 L 0.14 N 0.14 I 0.02 K 0.01 C Shift Assignments>> C :: 175.8036735(D) CA :: 55.60644208(D) CB :: 39.88173276(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 :: 9.646839458(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 :: 129.6278007(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G43 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 :: 173.8379406(D) CA :: 45.50224092(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.160915134(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.8092756(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.25 K 0.17 E 0.11 H 0.03 R 0.03 N 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 174.0328622(D) CA :: 54.90561074(D) CB :: 34.68326434(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 :: 7.919591658(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 :: 122.5603588(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.25 K 0.19 H 0.07 R 0.07 W 0.03 E 0.01 C Shift Assignments>> C :: 177.0561875(D) CA :: 53.83569651(D) CB :: 33.6694125(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 :: 8.443959977(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 :: 120.6290716(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G46 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 :: 170.7459709(D) CA :: 45.58505852(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.854901415(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9819923(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.4 L 0.33 R 0.14 D 0.05 F 0.02 Y 0.01 HN Overlap>> 1.K21 1.K21 C Shift Assignments>> C :: 177.6677573(D) CA :: 54.73999745(D) CB :: 44.54735095(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 :: 9.24962297(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 :: 120.5315035(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I48 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 D 0.16 K 0.16 I 0.02 N 0.02 R 0.01 C Shift Assignments>> C :: 172.4318896(D) CA :: 56.7884532(D) CB :: 41.03636207(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 :: 9.389280519(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 :: 112.5781992(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> W 0.26 I 0.18 E 0.13 R 0.11 H 0.09 Q 0.06 K 0.06 P 0.05 M 0.02 C Shift Assignments>> C :: 178.8982918(D) CA :: 60.87509189(D) CB :: 30.1813634(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.S50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.2024215(D) CA :: 60.403131(D) CB :: 62.40143127(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.859139568(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 :: 119.8618569(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.41 E 0.19 M 0.14 Y 0.08 F 0.05 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 175.9011957(D) CA :: 53.70758768(D) CB :: 36.55341204(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 :: 8.357514877(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.1948099(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.33 I 0.16 D 0.04 L 0.03 E 0.02 N 0.01 C Shift Assignments>> C :: 174.8584105(D) CA :: 58.19683441(D) CB :: 38.93233401(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 :: 7.717339496(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 :: 119.0931431(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 F 0.22 Y 0.16 L 0.13 R 0.11 I 0.04 D 0.04 C Shift Assignments>> C :: 173.8466695(D) CA :: 58.57193307(D) CB :: 42.0164883(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 :: 7.219846492(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 :: 110.8040463(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.2 Q 0.17 R 0.11 H 0.11 W 0.06 E 0.03 C Shift Assignments>> C :: 175.7026573(D) CA :: 54.47104404(D) CB :: 32.92141653(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 :: 8.741956024(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 :: 120.3594674(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 R 0.17 H 0.16 K 0.16 W 0.11 E 0.09 Q 0.07 C Shift Assignments>> C :: 176.5426063(D) CA :: 55.34324696(D) CB :: 31.74571127(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 :: 8.983018263(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.126715(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.23 Q 0.2 R 0.1 H 0.09 W 0.06 E 0.04 C Shift Assignments>> C :: 175.8493349(D) CA :: 56.18197201(D) CB :: 33.08373973(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 :: 8.657536525(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 :: 123.9891945(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.25 F 0.08 L 0.07 Y 0.07 C Shift Assignments>> C :: 174.5144992(D) CA :: 53.14484972(D) CB :: 39.3255229(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 :: 8.510330173(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 :: 121.2408467(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 R 0.18 Q 0.15 W 0.14 E 0.14 M 0.1 K 0.07 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 173.754494(D) CA :: 55.59575083(D) CB :: 30.40555158(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 :: 8.275902538(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 :: 118.9891632(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.23 D 0.16 F 0.11 R 0.11 Y 0.08 N 0.01 C Shift Assignments>> C :: 181.1270009(D) CA :: 56.05439064(D) CB :: 42.04948891(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 :: 8.185043594(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.0383994(D) Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 58 #Suspicious: 0 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 58 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 59 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 174 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 58 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 58 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 173.6531842(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.2666e-01 1.M1 CA = 55.65989325(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.4004e-01 1.M1 CB = 34.39864836(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.2944e-01 1.E2 C = 174.1913939(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.6955e-01 1.E2 CA = 55.37567753(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5222e-01 1.E2 CB = 33.81252391(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.7052e-02 1.E2 H = 8.78345545(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4215e-01 1.E2 N = 124.368036(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8794e-01 1.A3 C = 174.4261177(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.1975e-01 1.A3 CA = 50.40396434(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6702e-01 1.A3 CB = 24.99484764(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.0739e-03 1.A3 H = 8.963487956(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0320e-01 1.A3 N = 122.2701968(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8629e-01 1.I4 C = 176.1613226(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.7119e-01 1.I4 CA = 59.28202663(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.8504e-01 1.I4 CB = 40.93929041(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.5295e-01 1.I4 H = 8.831656924(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1722e-01 1.I4 N = 119.1131679(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.8347e-01 1.A5 C = 179.0149945(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.4945e-01 1.A5 CA = 52.92593597(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.1391e-01 1.A5 CB = 21.439302(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8435e-01 1.A5 H = 8.778360597(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3508e-01 1.A5 N = 128.2123843(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5929e-01 1.K6 C = 174.4334688(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.6991e-01 1.K6 CA = 56.61806539(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8007e-01 1.K6 CB = 33.3486224(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5365e-01 1.K6 H = 9.403853751(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.3064e-02 1.K6 N = 126.076957(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.8240e-01 1.H7 C = 173.0633656(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.6701e-01 1.H7 CA = 53.7374052(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.2836e-01 1.H7 CB = 35.05204257(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.0090e-02 1.H7 H = 7.448666556(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.4454e-01 1.H7 N = 114.1328448(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.6474e-01 1.D8 C = 175.7466363(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.0889e-01 1.D8 CA = 54.91882597(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.1025e-01 1.D8 CB = 41.82505192(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.5965e-01 1.D8 H = 8.501251558(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4159e-01 1.D8 N = 119.0769122(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8361e-01 1.F9 C = 173.6698185(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.7914e-01 1.F9 CA = 57.32808541(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.6985e-01 1.F9 CB = 42.79499877(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.7956e-01 1.F9 H = 8.55065132(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.9117e-01 1.F9 N = 121.3555325(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.2849e-01 1.S10 C = 171.6117618(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.0295e-02 1.S10 CA = 55.68851099(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4306e-01 1.S10 CB = 63.49109824(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.3467e-01 1.S10 H = 7.624580899(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.6662e-01 1.S10 N = 123.607542(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7371e-02 1.A11 C = 178.5145964(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.1611e-01 1.A11 CA = 52.89531243(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.0165e-01 1.A11 CB = 20.92530845(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.9528e-01 1.A11 H = 8.254335519(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2784e-01 1.A11 N = 127.4951596(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2826e-01 1.T12 C = 173.4981522(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.5388e-01 1.T12 CA = 61.9148632(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0622e-01 1.T12 CB = 70.1257834(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0815e-01 1.T12 H = 9.106457434(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.6226e-01 1.T12 N = 113.8325368(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.3823e-01 1.A13 C = 178.2716095(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0291e-01 1.A13 CA = 50.76458069(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3025e-01 1.A13 CB = 22.26374836(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5403e-02 1.A13 H = 7.545043613(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7501e-01 1.A13 N = 124.1565241(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9353e-01 1.D14 C = 176.1605768(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.9118e-01 1.D14 CA = 56.72614693(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.1585e-01 1.D14 CB = 40.70142656(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.1223e-01 1.D14 H = 8.593858086(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.2455e-01 1.D14 N = 119.1235914(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9252e-01 1.D15 C = 176.1994316(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.0875e-01 1.D15 CA = 53.35109347(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.0954e-01 1.D15 CB = 40.08727605(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.2460e-01 1.D15 H = 8.246331778(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1259e-01 1.D15 N = 114.7263248(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.2487e-01 1.E16 C = 175.2538006(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0721e-01 1.E16 CA = 55.32049261(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3872e-01 1.E16 CB = 33.00493333(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.1642e-02 1.E16 H = 7.406273286(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1743e-01 1.E16 N = 119.3204594(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9816e-01 1.L17 C = 174.4556311(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0055e-01 1.L17 CA = 53.59699487(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4223e-01 1.L17 CB = 45.42281998(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7771e-02 1.L17 H = 8.554664862(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1744e-01 1.L17 N = 124.7285436(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6202e-01 1.S18 C = 173.8409866(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.5061e-01 1.S18 CA = 58.98244725(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9911e-01 1.S18 CB = 64.65338984(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.6420e-01 1.S18 H = 7.852190273(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6839e-01 1.S18 N = 117.5291301(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.2269e-01 1.F19 C = 173.9269672(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.5309e-01 1.F19 CA = 56.85714706(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.3420e-01 1.F19 CB = 40.7043394(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.3251e-01 1.F19 H = 8.671570108(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6521e-01 1.F19 N = 114.6878119(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6804e-01 1.R20 C = 175.8685236(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.8967e-01 1.R20 CA = 53.2129813(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.2360e-01 1.R20 CB = 33.09353271(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.9089e-01 1.R20 H = 9.409799785(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5149e-02 1.R20 N = 119.2881016(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8119e-01 1.K21 C = 177.3922927(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.0681e-01 1.K21 CA = 58.18044865(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7596e-01 1.K21 CB = 33.20847479(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.1413e-01 1.K21 H = 9.223711151(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4915e-02 1.K21 N = 120.446572(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7283e-01 1.T22 C = 173.4777099(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.4613e-01 1.T22 CA = 66.5684836(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3162e-02 1.T22 CB = 69.40177385(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.4041e-01 1.T22 H = 8.808913153(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.5883e-01 1.T22 N = 117.1121305(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2166e-01 1.Q23 C = 174.2236293(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.8465e-01 1.Q23 CA = 58.98578612(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5895e-01 1.Q23 CB = 30.25088289(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.5996e-01 1.Q23 H = 8.190521104(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6015e-01 1.Q23 N = 120.7213938(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.1736e-01 1.I24 C = 175.8026673(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.8033e-01 1.I24 CA = 59.80066661(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.9960e-01 1.I24 CB = 37.85520977(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.0130e-01 1.I24 H = 8.176267099(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7875e-01 1.I24 N = 120.4651112(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1619e-01 1.L25 C = 175.4652969(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.4127e-01 1.L25 CA = 53.94166263(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3073e-01 1.L25 CB = 44.74249357(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.9571e-01 1.L25 H = 9.084282964(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8875e-01 1.L25 N = 128.0470069(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1265e-01 1.K26 C = 175.9494618(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.2989e-01 1.K26 CA = 55.45973674(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.9816e-01 1.K26 CB = 33.07394733(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7326e-01 1.K26 H = 8.221968472(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.5751e-01 1.K26 N = 121.9326584(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1489e-01 1.I27 C = 175.6921836(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.3449e-01 1.I27 CA = 59.25019633(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.7858e-01 1.I27 CB = 35.50109907(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.2139e-01 1.I27 H = 8.559899575(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8062e-01 1.I27 N = 124.7023801(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.4871e-01 1.L28 C = 177.3541677(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5407e-01 1.L28 CA = 55.55586135(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7598e-01 1.L28 CB = 42.74337288(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1769e-01 1.L28 H = 9.221077866(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2732e-01 1.L28 N = 128.5396235(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6763e-02 1.N29 C = 173.5776115(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.4442e-01 1.N29 CA = 54.12027012(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5758e-01 1.N29 CB = 41.32363519(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.1915e-01 1.N29 H = 7.637594401(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.6488e-01 1.N29 N = 114.1761683(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.3815e-01 1.M30 C = 174.6402771(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.6130e-01 1.M30 CA = 55.11602965(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.5579e-01 1.M30 CB = 33.21597728(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.1964e-01 1.M30 H = 8.802578781(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.6584e-01 1.M30 N = 123.4374901(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.4841e-01 1.E31 C = 176.7880326(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.6647e-01 1.E31 CA = 56.54329099(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.1017e-01 1.E31 CB = 31.27822457(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6092e-01 1.E31 H = 8.101914752(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9906e-01 1.E31 N = 121.3301767(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4954e-01 1.D32 C = 176.4470918(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.7853e-01 1.D32 CA = 56.52910526(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6496e-01 1.D32 CB = 40.87225861(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9619e-01 1.D32 H = 8.423332476(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4508e-01 1.D32 N = 121.3197875(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6224e-01 1.D33 C = 175.4874158(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.0203e-01 1.D33 CA = 54.173324(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9909e-01 1.D33 CB = 42.21202852(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.1094e-01 1.D33 H = 8.254260926(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2344e-01 1.D33 N = 118.9225757(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5450e-01 1.S34 C = 174.9963458(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.2680e-01 1.S34 CA = 59.26471157(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.9244e-01 1.S34 CB = 64.09289762(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4312e-01 1.S34 H = 8.171928115(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.5466e-01 1.S34 N = 115.8956988(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1306e-01 1.N35 C = 174.6843808(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.4355e-01 1.N35 CA = 54.15508112(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.4354e-01 1.N35 CB = 39.61994626(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.8214e-01 1.N35 H = 8.916743056(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.5995e-01 1.N35 N = 119.5035185(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.8683e-01 1.W36 C = 174.9982279(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.7678e-01 1.W36 CA = 56.03579794(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.2900e-01 1.W36 CB = 31.96513318(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.3070e-01 1.W36 H = 7.99481728(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.0867e-01 1.W36 HE1 = 9.99979401(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.0328e-01 1.W36 N = 121.401219(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.4683e-01 1.W36 NE1 = 128.6708621(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.5835e-01 1.Y37 C = 175.3717823(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.8869e-01 1.Y37 CA = 52.943123(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.8783e-02 1.Y37 CB = 39.75891758(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.3898e-01 1.Y37 H = 8.970092602(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.7318e-01 1.Y37 N = 120.6454622(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.7617e-01 1.R38 C = 175.2460605(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.6639e-01 1.R38 CA = 56.42129711(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.8001e-01 1.R38 CB = 31.46999576(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.7393e-01 1.R38 H = 8.720410045(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.3096e-01 1.R38 N = 121.3019326(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.9151e-01 1.A39 Typing: Mistyped 1.A39 C = 173.3394661(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.8831e-02 1.A39 CA = 50.83133254(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4362e-01 1.A39 CB = 26.09882734(S), Expected = 19.01, Std = 1.8300, ChiSquare = 1.0721e-04 1.A39 H = 9.564185014(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.2988e-02 1.A39 N = 131.3549508(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1723e-02 1.E40 C = 174.8253765(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.9440e-01 1.E40 CA = 54.65361103(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.0203e-01 1.E40 CB = 34.1531727(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.6004e-02 1.E40 H = 8.939193422(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0182e-01 1.E40 N = 118.4371127(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2111e-01 1.L41 C = 175.9478108(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.9864e-01 1.L41 CA = 54.93702872(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.4848e-01 1.L41 CB = 45.94046216(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3471e-02 1.L41 H = 8.92518435(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8484e-01 1.L41 N = 125.8672429(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0419e-01 1.D42 C = 175.8036735(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.3329e-01 1.D42 CA = 55.60644208(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5167e-01 1.D42 CB = 39.88173276(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.3775e-01 1.D42 H = 9.646839458(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1172e-02 1.D42 N = 129.6278007(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0026e-02 1.G43 C = 173.8379406(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8639e-01 1.G43 CA = 45.50224092(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0955e-01 1.G43 H = 9.160915134(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0113e-01 1.G43 N = 104.8092756(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.0912e-01 1.K44 C = 174.0328622(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9238e-01 1.K44 CA = 54.90561074(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5275e-01 1.K44 CB = 34.68326434(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.8750e-01 1.K44 H = 7.919591658(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5222e-01 1.K44 N = 122.5603588(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.8870e-01 1.E45 C = 177.0561875(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.2393e-01 1.E45 CA = 53.83569651(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.5488e-02 1.E45 CB = 33.6694125(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.3373e-02 1.E45 H = 8.443959977(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4684e-01 1.E45 N = 120.6290716(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9062e-01 1.G46 C = 170.7459709(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6569e-02 1.G46 CA = 45.58505852(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6075e-01 1.G46 H = 8.854901415(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1936e-01 1.G46 N = 107.9819923(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6271e-01 1.L47 C = 177.6677573(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.3212e-01 1.L47 CA = 54.73999745(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7950e-01 1.L47 CB = 44.54735095(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3401e-01 1.L47 H = 9.24962297(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1673e-01 1.L47 N = 120.5315035(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3337e-01 1.I48 C = 172.4318896(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.5033e-02 1.I48 CA = 56.7884532(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.2005e-02 1.I48 CB = 41.03636207(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.3355e-01 1.I48 H = 9.389280519(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0283e-01 1.I48 N = 112.5781992(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7969e-02 1.P49 C = 178.8982918(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.5482e-01 1.P49 CA = 60.87509189(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.0630e-01 1.P49 CB = 30.1813634(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.5733e-01 1.S50 C = 175.2024215(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3490e-01 1.S50 CA = 60.403131(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.1616e-01 1.S50 CB = 62.40143127(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.4467e-01 1.S50 H = 7.859139568(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7565e-01 1.S50 N = 119.8618569(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.0888e-01 1.N51 C = 175.9011957(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.2437e-01 1.N51 CA = 53.70758768(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.2897e-01 1.N51 CB = 36.55341204(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.0614e-01 1.N51 H = 8.357514877(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7782e-01 1.N51 N = 115.1948099(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.5401e-01 1.Y52 C = 174.8584105(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.8550e-01 1.Y52 CA = 58.19683441(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.7876e-01 1.Y52 CB = 38.93233401(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.5756e-01 1.Y52 H = 7.717339496(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.0905e-01 1.Y52 N = 119.0931431(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.3406e-01 1.I53 C = 173.8466695(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9676e-01 1.I53 CA = 58.57193307(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5696e-01 1.I53 CB = 42.0164883(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.3644e-02 1.I53 H = 7.219846492(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.1898e-01 1.I53 N = 110.8040463(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.2785e-02 1.E54 C = 175.7026573(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.4941e-01 1.E54 CA = 54.47104404(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.7284e-01 1.E54 CB = 32.92141653(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0516e-02 1.E54 H = 8.741956024(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.8503e-01 1.E54 N = 120.3594674(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2890e-01 1.M55 C = 176.5426063(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.6226e-01 1.M55 CA = 55.34324696(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.3097e-01 1.M55 CB = 31.74571127(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.7856e-01 1.M55 H = 8.983018263(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.2819e-01 1.M55 N = 125.126715(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.5829e-01 1.K56 C = 175.8493349(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.9260e-01 1.K56 CA = 56.18197201(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.2701e-01 1.K56 CB = 33.08373973(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6893e-01 1.K56 H = 8.657536525(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.3585e-01 1.K56 N = 123.9891945(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3561e-01 1.N57 C = 174.5144992(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.7298e-01 1.N57 CA = 53.14484972(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3352e-01 1.N57 CB = 39.3255229(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.0688e-01 1.N57 H = 8.510330173(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8688e-01 1.N57 N = 121.2408467(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.6637e-01 1.H58 C = 173.754494(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.4777e-01 1.H58 CA = 55.59575083(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.8908e-01 1.H58 CB = 30.40555158(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.3626e-01 1.H58 H = 8.275902538(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.5789e-01 1.H58 N = 118.9891632(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.6092e-01 1.D59 C = 181.1270009(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.9102e-03 1.D59 CA = 56.05439064(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.0151e-01 1.D59 CB = 42.04948891(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.7035e-01 1.D59 H = 8.185043594(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.2942e-01 1.D59 N = 127.0383994(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7919e-02