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 0.22 K 0.16 C 0.15 Q 0.11 R 0.1 H 0.1 W 0.06 E 0.04 C Shift Assignments>> C :: 174.8504765(D) CA :: 54.72824697(D) CB :: 32.65313407(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.N2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.69 D 0.11 C 0.09 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 174.9337058(D) CA :: 51.21884391(D) CB :: 38.43074363(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 :: 8.367495989(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 :: 122.4987679(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.41 V 0.35 C 0.13 I 0.07 W 0.02 C Shift Assignments>> C :: 177.6998249(D) CA :: 64.42063468(D) CB :: 30.89450011(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.Y4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 I 0.27 E 0.11 Y 0.1 V 0.06 F 0.06 M 0.01 K 0.01 C Shift Assignments>> C :: 178.3554182(D) CA :: 60.98403529(D) CB :: 36.2837049(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 :: 8.018748552(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 :: 116.2478181(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 C 0.27 V 0.22 Y 0.02 F 0.01 C Shift Assignments>> C :: 178.2342504(D) CA :: 64.27107719(D) CB :: 36.08602889(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 :: 7.773887735(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 :: 120.4284566(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.31 C 0.3 Y 0.12 E 0.1 F 0.07 V 0.04 M 0.01 C Shift Assignments>> C :: 178.1892347(D) CA :: 61.01360166(D) CB :: 36.59445856(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 :: 7.139149176(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 :: 119.112501(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.21 L 0.14 D 0.11 K 0.1 C 0.1 I 0.04 N 0.01 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 178.9930209(D) CA :: 57.39646579(D) CB :: 40.7671481(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 :: 7.881373072(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.9481715(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.7254327(D) CA :: 47.21377799(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.694327708(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.6055207(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.4529066(D) CA :: 47.40913956(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.793628168(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6415575(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.28 I 0.04 C 0.02 C Shift Assignments>> C :: 182.2467608(D) CA :: 55.37115781(D) CB :: 17.64853468(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.924867894(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.9842791(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.7 C 0.18 Y 0.04 F 0.03 V 0.02 C Shift Assignments>> C :: 177.4137618(D) CA :: 64.45873071(D) CB :: 37.56537728(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 :: 8.630586444(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.206125(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 C 0.12 L 0.09 I 0.08 D 0.06 K 0.06 C Shift Assignments>> C :: 178.3983008(D) CA :: 58.19439498(D) CB :: 40.52085919(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 :: 8.420953554(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 :: 121.097251(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.77 A 0.16 I 0.04 C 0.01 C Shift Assignments>> C :: 178.889986(D) CA :: 55.46531882(D) CB :: 16.45442468(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.55278388(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7321554(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 C 0.18 I 0.13 Q 0.09 W 0.09 L 0.09 H 0.06 E 0.06 K 0.05 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 178.444324(D) CA :: 58.5374399(D) CB :: 27.22464407(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 :: 7.899856296(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 :: 120.0376768(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 P 0.35 C 0.12 I 0.08 W 0.01 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 178.6514414(D) CA :: 65.22398991(D) CB :: 30.80773494(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 :: 8.500362533(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 :: 121.6206817(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 V 0.27 C 0.27 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.9502707(D) CA :: 64.3782764(D) CB :: 35.94102486(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 :: 8.728519795(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.2685046(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.1534355(D) CA :: 47.41437807(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.52519665(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.174095(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.9032153(D) CA :: 66.06234421(D) CB :: 67.79706774(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 :: 7.571541545(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.6597709(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.0564358(D) CA :: 66.99064059(D) CB :: 67.80439846(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 :: 7.50515196(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 :: 117.3191069(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.27 C 0.13 D 0.08 L 0.08 I 0.08 N 0.01 K 0.01 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 178.4759925(D) CA :: 57.68305776(D) CB :: 39.96471338(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 :: 8.528845737(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 :: 121.6553858(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.12 V 0.12 W 0.12 R 0.1 H 0.08 M 0.07 E 0.07 Q 0.03 C Shift Assignments>> C :: 181.5751511(D) CA :: 59.33612793(D) CB :: 32.02335726(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 :: 8.04792077(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 :: 121.4814101(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.18 E 0.13 R 0.1 H 0.1 Q 0.08 I 0.06 V 0.04 K 0.03 M 0.03 C Shift Assignments>> C :: 178.2073136(D) CA :: 59.51752984(D) CB :: 30.0177839(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 :: 7.569170315(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 :: 124.8321389(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 Y 0.26 F 0.21 C 0.19 E 0.02 HN Overlap>> 1.D84 1.D84 C Shift Assignments>> C :: 176.0592309(D) CA :: 59.82013494(D) CB :: 38.47376868(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 :: 7.478018724(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 :: 119.017525(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.5720903(D) CA :: 60.53042497(D) CB :: 63.38613046(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.974483505(D) HA :: 5.379942015 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 :: 113.6803656(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.21 R 0.18 C 0.15 Q 0.06 H 0.03 W 0.03 I 0.02 E 0.01 C Shift Assignments>> C :: 177.9364154(D) CA :: 55.96056166(D) CB :: 25.91447666(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 :: 7.72126815(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 :: 121.2650592(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.8899117(D) CA :: 46.01301702(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.417784021(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.0690776(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 E 0.21 I 0.1 Y 0.08 M 0.05 V 0.05 K 0.05 F 0.04 Q 0.03 C Shift Assignments>> C :: 173.8375759(D) CA :: 59.53631963(D) CB :: 35.71126075(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 :: 7.932322117(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.8838587(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.1168634(D) CA :: 62.01481292(D) CB :: 70.36618609(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 :: 7.563642842(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 :: 102.3187521(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 C 0.13 Q 0.13 W 0.12 M 0.1 E 0.09 K 0.05 C Shift Assignments>> C :: 178.1808696(D) CA :: 54.04281711(D) CB :: 30.37792206(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 :: 7.36761636(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 :: 119.844405(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.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.23 I 0.17 C 0.13 K 0.09 L 0.04 D 0.01 C Shift Assignments>> C :: 177.4231643(D) CA :: 59.95406803(D) CB :: 41.00870711(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 :: 9.095634904(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 :: 131.3761538(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.41 P 0.22 C 0.21 R 0.04 K 0.03 W 0.03 C Shift Assignments>> C :: 177.394854(D) CA :: 61.6670271(D) CB :: 26.19974813(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.346953897(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 :: 119.299831(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 P 0.29 I 0.15 C 0.14 W 0.01 C Shift Assignments>> C :: 179.4796194(D) CA :: 65.20947352(D) CB :: 30.3971876(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.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 175.0664798(D) CA :: 63.81518311(D) CB :: 61.79253321(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.448680975(D) HA :: 4.825556199(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 :: 116.2520316(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.2 C 0.12 I 0.09 C Shift Assignments>> C :: 178.4737041(D) CA :: 66.52555786(D) CB :: 30.81378669(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 :: 8.391949348(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 :: 122.087952(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.7 C 0.1 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 174.5876049(D) CA :: 47.70978034(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.84262579(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.0349213(D) Ave N Shift Values>> N :: 109.67(3.87) 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 :: 175.1539361(D) CA :: 68.4128455(D) CB :: 68.3011131 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 :: 8.228633096(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.1748043(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 C 0.17 V 0.04 Y 0.02 F 0.02 C Shift Assignments>> C :: 178.2091734(D) CA :: 65.11871555(D) CB :: 37.45287494(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 :: 7.46816571(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 :: 119.4534055(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 C 0.2 V 0.1 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.663069(D) CA :: 65.40726338(D) CB :: 36.866068(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 :: 8.310090436(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 :: 118.6073043(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.43 I 0.43 C 0.11 V 0.01 C Shift Assignments>> C :: 177.6160332(D) CA :: 65.36111825(D) CB :: 25.93834975(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.237841607(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.1921235(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 I 0.22 E 0.13 Y 0.09 V 0.08 F 0.04 M 0.02 K 0.02 C Shift Assignments>> C :: 178.3355662(D) CA :: 60.85471998(D) CB :: 35.99173941(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 :: 8.452899119(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 :: 118.9946561(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.48 I 0.39 C 0.1 C Shift Assignments>> C :: 176.5029783(D) CA :: 64.99934666(D) CB :: 26.18882274(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.416195787(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.3263321(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.25 I 0.03 C 0.01 C Shift Assignments>> C :: 178.5962682(D) CA :: 54.93904888(D) CB :: 16.75407726(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.372702463(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.3499315(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.5274024(D) CA :: 62.98016974(D) CB :: 63.90468339(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.546251477(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.5063796(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 C 0.22 Y 0.22 F 0.16 E 0.06 C Shift Assignments>> C :: 177.5344823(D) CA :: 60.01782061(D) CB :: 37.77721949(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 :: 8.182555891(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.4607228(D) Ave N Shift Values>> N :: 120.45(4.18) 1.W45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 C 0.19 P 0.17 W 0.07 V 0.03 K 0.02 E 0.02 R 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 178.3591208(D) CA :: 62.20206652(D) CB :: 28.51015434(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 :: 8.364217917(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 :: 120.8254869(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.23 L 0.11 C 0.11 K 0.1 D 0.08 I 0.06 C Shift Assignments>> C :: 179.4183293(D) CA :: 57.89961193(D) CB :: 40.75883875(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 :: 8.814938551(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.7012924(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 L 0.15 K 0.13 D 0.11 C 0.09 I 0.03 N 0.01 R 0.01 C Shift Assignments>> C :: 179.0562924(D) CA :: 57.33422005(D) CB :: 40.93131878(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 :: 8.423098099(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 :: 121.2202134(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.27 I 0.02 C 0.01 C Shift Assignments>> C :: 179.9750164(D) CA :: 54.67493193(D) CB :: 16.55902737(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.201823673(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4295129(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.23 C 0.14 Q 0.09 K 0.09 H 0.05 W 0.05 I 0.03 E 0.03 C Shift Assignments>> C :: 178.2428822(D) CA :: 56.43439322(D) CB :: 26.54383414(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 :: 7.373693499(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 :: 114.5208613(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.6998691(D) CA :: 65.55351767(D) CB :: 68.60633813(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 :: 7.577577017(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 :: 111.2483747(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.21 D 0.17 N 0.12 C 0.12 L 0.09 I 0.03 C Shift Assignments>> C :: 177.180375(D) CA :: 55.93591099(D) CB :: 39.43807139(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 :: 7.20341346(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.9721657(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.63 M 0.35 C 0.01 C Shift Assignments>> C :: 177.4933515(D) CA :: 52.85455798(D) CB :: 17.22674048(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.12463363(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.8855691(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 F 0.22 Y 0.17 L 0.12 C 0.09 D 0.06 I 0.04 R 0.04 C Shift Assignments>> C :: 174.93664(D) CA :: 58.18867351(D) CB :: 41.53027509(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 :: 7.748493298(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 113.9291633(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 172.6990991(D) CA :: 57.41677396(D) CB :: 39.81761386(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 :: 7.831554172(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 :: 119.2185591(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.36 C 0.16 W 0.03 I 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 177.7603937(D) CA :: 62.7512776(D) CB :: 31.9413924(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.T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> C :: 175.8023449(D) CA :: 65.8382585(D) CB :: 68.0810453(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 :: 8.20458811(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.3399443(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 176.1234609(D) CA :: 47.24193659(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.779836202(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2128019(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 C 0.21 V 0.06 Y 0.03 F 0.02 C Shift Assignments>> C :: 176.910523(D) CA :: 64.38055564(D) CB :: 37.01346234(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 :: 6.892671292(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 :: 119.5027728(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.22 I 0.05 C 0.02 C Shift Assignments>> C :: 179.4525433(D) CA :: 55.49967378(D) CB :: 17.24397596(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.924770957(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4404646(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 C 0.25 Y 0.16 F 0.11 E 0.06 V 0.01 C Shift Assignments>> C :: 177.8369336(D) CA :: 60.87790948(D) CB :: 37.33358849(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 :: 8.708193625(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 :: 115.1496392(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.36 I 0.04 C 0.02 C Shift Assignments>> C :: 179.9963631(D) CA :: 55.27025419(D) CB :: 18.06673198(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.131161271(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7147178(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.21 V 0.1 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.1596316(D) CA :: 64.87148416(D) CB :: 36.82824736(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 :: 8.165597068(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 :: 116.0170461(D) Ave N Shift Values>> N :: 121.46(4.28) 1.W63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 C 0.22 W 0.11 P 0.08 V 0.04 K 0.04 E 0.03 H 0.02 R 0.02 Q 0.02 C Shift Assignments>> C :: 181.0057263(D) CA :: 61.79177599(D) CB :: 28.90114488(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 :: 8.718692958(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 :: 121.3868177(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.43 V 0.4 C 0.1 I 0.03 W 0.01 C Shift Assignments>> C :: 177.4307257(D) CA :: 64.82735081(D) CB :: 31.38896818(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 :: 9.179001434(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 :: 119.5176813(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.7923112(D) CA :: 47.08101806(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.446986113(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4679361(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 V 0.25 C 0.18 P 0.08 W 0.01 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 178.2517891(D) CA :: 65.96214577(D) CB :: 29.43637474(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 :: 8.578800343(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.1729239(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 174.3439342(D) CA :: 47.00901416(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.997884937(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.9869258(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.77 C 0.15 V 0.04 Y 0.01 F 0.01 C Shift Assignments>> C :: 178.9758395(D) CA :: 66.21961408(D) CB :: 37.59337882(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 :: 8.753542941(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 :: 120.9930584(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 P 0.16 C 0.12 I 0.08 C Shift Assignments>> C :: 177.648637(D) CA :: 66.83741048(D) CB :: 30.89895906(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 :: 7.451498972(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 :: 119.5701401(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 K 0.18 Y 0.18 L 0.14 C 0.09 D 0.08 I 0.04 R 0.02 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 179.346275(D) CA :: 57.73757177(D) CB :: 41.24125543(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 :: 8.562518636(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.0676854(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.71 C 0.18 V 0.06 Y 0.02 F 0.01 C Shift Assignments>> C :: 179.5268091(D) CA :: 65.55254417(D) CB :: 37.24453214(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 :: 9.032217973(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 :: 119.8470277(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.5593796(D) CA :: 63.03575109(D) CB :: 61.9983514(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.855297118(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 :: 118.4776414(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 F 0.22 Y 0.17 L 0.13 C 0.09 D 0.06 I 0.04 R 0.04 C Shift Assignments>> C :: 178.3472501(D) CA :: 58.13019294(D) CB :: 41.49550669(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 :: 8.34697553(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 :: 123.9246673(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>> F 0.29 Y 0.26 C 0.12 L 0.09 I 0.08 D 0.07 K 0.04 N 0.01 C Shift Assignments>> C :: 179.0625664(D) CA :: 58.01847634(D) CB :: 40.36638228(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 :: 8.644911375(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.1787267(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.23 P 0.18 I 0.18 C 0.05 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 176.8043355(D) CA :: 62.71445106(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.246568495(D) HA :: 4.450429092 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 :: 115.2380261(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 I 0.16 W 0.12 R 0.11 K 0.1 Q 0.09 E 0.08 H 0.07 L 0.03 C Shift Assignments>> C :: 177.7357747(D) CA :: 59.17838142(D) CB :: 27.99060668(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 :: 7.767725285(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 :: 125.0995342(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 173.6762009(D) CA :: 47.00064024(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.177524054(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.9323724(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.21 C 0.21 I 0.16 E 0.07 M 0.01 D 0.01 L 0.01 C Shift Assignments>> C :: 176.6249797(D) CA :: 58.56713131(D) CB :: 38.08902976(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 :: 8.461686761(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 :: 114.3993811(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 Y 0.17 F 0.16 D 0.16 C 0.13 L 0.06 I 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 176.5617356(D) CA :: 55.20640535(D) CB :: 38.85933836(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 :: 6.807586161(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 112.3160097(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 175.0652464(D) CA :: 46.34000698(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.46461851(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8506778(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.37 K 0.28 C 0.13 R 0.1 Q 0.03 H 0.02 W 0.01 C Shift Assignments>> C :: 174.1899879(D) CA :: 55.27504184(D) CB :: 25.39281647(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 :: 7.679698717(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 :: 119.5633758(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 E 0.12 C 0.11 K 0.11 M 0.06 C Shift Assignments>> C :: 175.2372344(D) CA :: 55.36897602(D) CB :: 29.75309646(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 :: 7.752171696(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 :: 125.9111233(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.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.22 R 0.19 G 0.07 K 0.05 C 0.04 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 174.8127855(D) CA :: 52.79228545(D) CB :: 43.04557798(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.414732205(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 :: 122.6364948(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.3 L 0.14 C 0.06 F 0.03 K 0.02 Y 0.02 HN Overlap>> 1.F23 1.F23 C Shift Assignments>> C :: 175.4238939(D) CA :: 50.98833884(D) CB :: 41.01340931(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 :: 7.460811435(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 :: 119.0515544(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 I 0.23 C 0.21 F 0.2 E 0.04 C Shift Assignments>> C :: 176.0411864(D) CA :: 59.3781109(D) CB :: 38.17315846(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 :: 8.754583753(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.5111041(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.48 P 0.2 I 0.16 C 0.14 W 0.01 C Shift Assignments>> C :: 177.6207651(D) CA :: 66.22686176(D) CB :: 30.42044797(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.A87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.31 I 0.04 C 0.02 C Shift Assignments>> C :: 179.1321513(D) CA :: 55.32993316(D) CB :: 17.83289551(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.539201337(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.4981545(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.71 C 0.18 V 0.05 Y 0.02 F 0.01 HN Overlap>> 1.T56 1.T56 C Shift Assignments>> C :: 178.217674(D) CA :: 65.30270709(D) CB :: 37.26241963(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 :: 8.259832243(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 :: 118.2773415(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 C 0.26 V 0.22 Y 0.02 F 0.01 C Shift Assignments>> C :: 178.3348897(D) CA :: 64.32383219(D) CB :: 36.09405378(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 :: 8.776011089(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 :: 119.2556555(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 C 0.09 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 175.6587218(D) CA :: 47.5468633(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.837377247(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.4823489(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.16 K 0.13 W 0.08 M 0.08 R 0.07 Q 0.06 H 0.05 E 0.04 C Shift Assignments>> C :: 178.594851(D) CA :: 59.55532259(D) CB :: 32.72959612(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 :: 8.631371587(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 :: 120.6910373(D) Ave N Shift Values>> N :: 120.09(3.57) 1.M92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.14 R 0.11 K 0.1 E 0.1 H 0.09 V 0.09 M 0.07 Q 0.04 I 0.01 C Shift Assignments>> C :: 178.1999945(D) CA :: 59.1590238(D) CB :: 31.55583022(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 :: 8.573054456(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 :: 120.1835345(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 C 0.15 I 0.12 L 0.04 D 0.04 N 0.01 C Shift Assignments>> C :: 178.8230849(D) CA :: 58.28219056 CB :: 39.49808688(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 :: 8.245796942(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 :: 120.4561472(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.73 C 0.17 V 0.04 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.7477317(D) CA :: 65.47921782 CB :: 37.41326896(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 :: 7.957960943(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 :: 118.5488663(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.5 I 0.37 C 0.1 C Shift Assignments>> C :: 176.542922(D) CA :: 64.40000904(D) CB :: 26.238858(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.42777985(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.8525108(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.3 I 0.03 C 0.01 C Shift Assignments>> C :: 179.0059564(D) CA :: 54.97268522(D) CB :: 17.22913222(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.802544673(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0757057(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.48 G 0.19 A 0.15 C 0.07 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 175.13116(D) CA :: 48.41907114(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.539434474(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.6789158(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.16 C 0.13 I 0.11 C Shift Assignments>> C :: 178.5577252(D) CA :: 66.72061078(D) CB :: 30.68304829(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 :: 8.344355598(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6744673(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 C 0.12 I 0.1 L 0.08 K 0.07 D 0.05 C Shift Assignments>> C :: 178.2031424(D) CA :: 58.53531564(D) CB :: 40.61745128(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 :: 8.128565846(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 :: 120.5171975(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.76 C 0.16 V 0.03 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.6792726(D) CA :: 65.87414043(D) CB :: 37.57199236(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 :: 8.445884484(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 :: 119.2419313(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.14 Y 0.02 F 0.02 V 0.01 C Shift Assignments>> C :: 176.7155596(D) CA :: 65.61272782(D) CB :: 38.03428358(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 :: 8.017061434(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 :: 117.7556086(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.22 D 0.17 L 0.11 C 0.11 N 0.07 I 0.03 K 0.01 C Shift Assignments>> C :: 175.9374749(D) CA :: 56.32404629(D) CB :: 39.85609605(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 :: 7.437989476(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 :: 114.2403516(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.22 D 0.16 F 0.12 Y 0.09 R 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 177.5549477(D) CA :: 56.02983603(D) CB :: 41.78874062(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 :: 8.354001313(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 :: 115.3785908(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.21 R 0.15 K 0.13 F 0.06 C 0.04 Y 0.03 N 0.02 G 0.01 C Shift Assignments>> C :: 176.6256906(D) CA :: 54.37600779(D) CB :: 42.50142147(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 :: 7.649035229(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.7722832(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.2255049(D) CA :: 57.6717124(D) CB :: 63.30906271(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.058644672(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.7292509(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.14 Q 0.14 W 0.12 E 0.11 C 0.11 K 0.09 M 0.07 C Shift Assignments>> C :: 176.4085315(D) CA :: 55.2576246(D) CB :: 30.00286686(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 :: 9.254609555(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.2324973(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.S107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.2477674(D) CA :: 58.37587839(D) CB :: 63.23126534(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.355113835(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 :: 117.1731263(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.8308708(D) CA :: 59.16093815(D) CB :: 69.34266888(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 :: 7.829822767(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 :: 117.3364619(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.3 C 0.17 I 0.06 W 0.04 R 0.01 C Shift Assignments>> C :: 175.5553925(D) CA :: 63.06059351(D) CB :: 31.00377592(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.H110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 E 0.14 R 0.14 W 0.14 Q 0.13 C 0.12 K 0.08 M 0.06 I 0.01 C Shift Assignments>> C :: 178.7900258(D) CA :: 56.76993638(D) CB :: 30.13334881(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 :: 7.813098501(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.7176161(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 110 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 110 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 3 #Duplicate: 314 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 105 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 104 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 174.8504765(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.2469e-01 1.M1 CA = 54.72824697(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.3551e-01 1.M1 CB = 32.65313407(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.8046e-01 1.N2 C = 174.9337058(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.5098e-01 1.N2 CA = 51.21884391(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.1696e-01 1.N2 CB = 38.43074363(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.7808e-01 1.N2 H = 8.367495989(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6519e-01 1.N2 N = 122.4987679(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.7586e-01 1.P3 C = 177.6998249(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.2933e-01 1.P3 CA = 64.42063468(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.7305e-01 1.P3 CB = 30.89450011(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.1809e-01 1.Y4 C = 178.3554182(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.3751e-01 1.Y4 CA = 60.98403529(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.5551e-01 1.Y4 CB = 36.2837049(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.5982e-01 1.Y4 H = 8.018748552(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.7985e-01 1.Y4 N = 116.2478181(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.0906e-01 1.I5 C = 178.2342504(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.1431e-01 1.I5 CA = 64.27107719(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.2074e-01 1.I5 CB = 36.08602889(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.0789e-01 1.I5 H = 7.773887735(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.5671e-01 1.I5 N = 120.4284566(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0954e-01 1.Y6 C = 178.1892347(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.6103e-01 1.Y6 CA = 61.01360166(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.5062e-01 1.Y6 CB = 36.59445856(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.0701e-01 1.Y6 H = 7.139149176(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.0575e-01 1.Y6 N = 119.112501(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.3754e-01 1.L7 C = 178.9930209(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.1172e-01 1.L7 CA = 57.39646579(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0427e-01 1.L7 CB = 40.7671481(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1184e-01 1.L7 H = 7.881373072(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9172e-01 1.L7 N = 119.9481715(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2398e-01 1.G8 C = 175.7254327(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.2368e-01 1.G8 CA = 47.21377799(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6426e-01 1.G8 H = 8.694327708(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7514e-01 1.G8 N = 106.6055207(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.2845e-01 1.G9 C = 174.4529066(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.5652e-01 1.G9 CA = 47.40913956(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2437e-01 1.G9 H = 8.793628168(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7568e-01 1.G9 N = 109.6415575(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9414e-01 1.A10 C = 182.2467608(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.4358e-02 1.A10 CA = 55.37115781(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5981e-01 1.A10 CB = 17.64853468(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.5689e-01 1.A10 H = 8.924867894(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.2700e-01 1.A10 N = 124.9842791(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2021e-01 1.I11 C = 177.4137618(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.1538e-01 1.I11 CA = 64.45873071(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8780e-01 1.I11 CB = 37.56537728(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.9817e-01 1.I11 H = 8.630586444(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0616e-01 1.I11 N = 122.206125(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6161e-01 1.L12 C = 178.3983008(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7692e-01 1.L12 CA = 58.19439498(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2680e-01 1.L12 CB = 40.52085919(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.4126e-01 1.L12 H = 8.420953554(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6893e-01 1.L12 N = 121.097251(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4494e-01 1.A13 C = 178.889986(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.8927e-01 1.A13 CA = 55.46531882(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4023e-01 1.A13 CB = 16.45442468(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.6257e-01 1.A13 H = 8.55278388(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5655e-01 1.A13 N = 119.7321554(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2311e-01 1.E14 C = 178.444324(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.1947e-01 1.E14 CA = 58.5374399(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6023e-01 1.E14 CB = 27.22464407(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0536e-01 1.E14 H = 7.899856296(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6597e-01 1.E14 N = 120.0376768(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5582e-01 1.V15 C = 178.6514414(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.1060e-01 1.V15 CA = 65.22398991(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3910e-01 1.V15 CB = 30.80773494(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8287e-01 1.V15 H = 8.500362533(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.5354e-01 1.V15 N = 121.6206817(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1568e-01 1.I16 C = 177.9502707(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.7400e-01 1.I16 CA = 64.3782764(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.0163e-01 1.I16 CB = 35.94102486(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.8313e-01 1.I16 H = 8.728519795(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.0952e-01 1.I16 N = 122.2685046(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5017e-01 1.G17 C = 174.1534355(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8016e-01 1.G17 CA = 47.41437807(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2342e-01 1.G17 H = 8.52519665(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6395e-01 1.G17 N = 108.174095(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9910e-01 1.T18 C = 174.9032153(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.3650e-01 1.T18 CA = 66.06234421(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3793e-01 1.T18 CB = 67.79706774(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.3568e-01 1.T18 H = 7.571541545(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8096e-01 1.T18 N = 116.6597709(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.9409e-01 1.T19 C = 177.0564358(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.5278e-01 1.T19 CA = 66.99064059(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.5483e-02 1.T19 CB = 67.80439846(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.3746e-01 1.T19 H = 7.50515196(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.3592e-01 1.T19 N = 117.3191069(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8929e-01 1.L20 C = 178.4759925(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5295e-01 1.L20 CA = 57.68305776(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3276e-01 1.L20 CB = 39.96471338(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.1222e-01 1.L20 H = 8.528845737(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4569e-01 1.L20 N = 121.6553858(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5816e-01 1.M21 C = 181.5751511(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.8397e-03 1.M21 CA = 59.33612793(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.4798e-01 1.M21 CB = 32.02335726(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.6608e-01 1.M21 H = 8.04792077(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.2374e-01 1.M21 N = 121.4814101(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.9672e-01 1.K22 C = 178.2073136(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.3324e-01 1.K22 CA = 59.51752984(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4319e-01 1.K22 CB = 30.0177839(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.1937e-01 1.K22 H = 7.569170315(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0080e-01 1.K22 N = 124.8321389(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1575e-01 1.F23 C = 176.0592309(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.4804e-01 1.F23 CA = 59.82013494(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.9835e-01 1.F23 CB = 38.47376868(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.6816e-01 1.F23 H = 7.478018724(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.2058e-01 1.F23 N = 119.017525(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.3183e-01 1.S24 C = 173.5720903(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.4236e-01 1.S24 CA = 60.53042497(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.8179e-01 1.S24 CB = 63.38613046(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7975e-01 1.S24 H = 7.974483505(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.0458e-01 1.S24 N = 113.6803656(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.6019e-01 1.E25 C = 177.9364154(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.8446e-01 1.E25 CA = 55.96056166(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1540e-01 1.E25 CB = 25.91447666(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.7260e-02 1.E25 H = 7.72126815(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0219e-01 1.E25 N = 121.2650592(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6423e-01 1.G26 C = 174.8899117(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8747e-01 1.G26 CA = 46.01301702(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2075e-01 1.G26 H = 9.417784021(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4226e-02 1.G26 N = 112.0690776(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3531e-01 1.F27 C = 173.8375759(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.2650e-01 1.F27 CA = 59.53631963(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.7094e-01 1.F27 CB = 35.71126075(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0634e-02 1.F27 H = 7.932322117(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5251e-01 1.F27 N = 113.8838587(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1622e-01 1.T28 C = 175.1168634(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.4309e-01 1.T28 CA = 62.01481292(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3686e-01 1.T28 CB = 70.36618609(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.9632e-01 1.T28 H = 7.563642842(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7532e-01 1.T28 N = 102.3187521(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8128e-03 1.R29 C = 178.1808696(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.8302e-01 1.R29 CA = 54.04281711(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3776e-01 1.R29 CB = 30.37792206(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6029e-01 1.R29 H = 7.36761636(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.5268e-01 1.R29 N = 119.844405(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.9512e-01 1.L30 C = 177.4231643(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2683e-01 1.L30 CA = 59.95406803(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1874e-02 1.L30 CB = 41.00870711(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.8883e-01 1.L30 H = 9.095634904(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8294e-01 1.L30 N = 131.3761538(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4686e-02 1.W31 C = 177.394854(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.2591e-01 1.W31 CA = 61.6670271(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.2040e-01 1.W31 CB = 26.19974813(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.8007e-02 1.W31 H = 9.346953897(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.8092e-01 1.W31 N = 119.299831(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.6907e-01 1.P32 C = 179.4796194(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.0654e-02 1.P32 CA = 65.20947352(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.1627e-01 1.P32 CB = 30.3971876(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.1825e-01 1.S33 C = 175.0664798(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9519e-01 1.S33 CA = 63.81518311(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3838e-02 1.S33 CB = 61.79253321(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.7497e-01 1.S33 H = 7.448680975(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.5883e-01 1.S33 HA = 4.825556199(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.8765e-01 1.S33 N = 116.2520316(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9366e-01 1.V34 C = 178.4737041(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.3311e-01 1.V34 CA = 66.52555786(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5823e-01 1.V34 CB = 30.81378669(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8439e-01 1.V34 H = 8.391949348(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7906e-01 1.V34 N = 122.087952(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3460e-01 1.G35 C = 174.5876049(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0268e-01 1.G35 CA = 47.70978034(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8233e-02 1.G35 H = 8.84262579(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3031e-01 1.G35 N = 105.0349213(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3104e-01 1.T36 C = 175.1539361(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.2722e-01 1.T36 CA = 68.4128455(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6800e-02 1.T36 H = 8.228633096(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8537e-01 1.T36 N = 121.1748043(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2569e-01 1.I37 C = 178.2091734(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.1917e-01 1.I37 CA = 65.11871555(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9046e-01 1.I37 CB = 37.45287494(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.6007e-01 1.I37 H = 7.46816571(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3253e-01 1.I37 N = 119.4534055(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3919e-01 1.I38 C = 177.663069(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.4501e-01 1.I38 CA = 65.40726338(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5652e-01 1.I38 CB = 36.866068(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.8254e-01 1.I38 H = 8.310090436(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6470e-01 1.I38 N = 118.6073043(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0508e-01 1.C39 C = 177.6160332(D), Expected = 174.95, Std = 2.0700, ChiSquare = 1.9777e-01 1.C39 CA = 65.36111825(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.3968e-02 1.C39 CB = 25.93834975(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.7566e-01 1.C39 H = 8.237841607(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.2034e-01 1.C39 N = 116.1921235(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.9128e-01 1.Y40 C = 178.3355662(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.4017e-01 1.Y40 CA = 60.85471998(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.7768e-01 1.Y40 CB = 35.99173941(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.2335e-01 1.Y40 H = 8.452899119(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.5554e-01 1.Y40 N = 118.9946561(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.1647e-01 1.C41 C = 176.5029783(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.5312e-01 1.C41 CA = 64.99934666(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.4239e-02 1.C41 CB = 26.18882274(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.9443e-01 1.C41 H = 8.416195787(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.6881e-01 1.C41 N = 117.3263321(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.3997e-01 1.A42 C = 178.5962682(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8768e-01 1.A42 CA = 54.93904888(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6356e-01 1.A42 CB = 16.75407726(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1767e-01 1.A42 H = 8.372702463(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7347e-01 1.A42 N = 119.3499315(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7305e-01 1.S43 C = 176.5274024(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.6745e-01 1.S43 CA = 62.98016974(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9585e-02 1.S43 CB = 63.90468339(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4361e-01 1.S43 H = 8.546251477(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5179e-01 1.S43 N = 112.5063796(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.8370e-01 1.F44 C = 177.5344823(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.8798e-01 1.F44 CA = 60.01782061(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.5084e-01 1.F44 CB = 37.77721949(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.8972e-01 1.F44 H = 8.182555891(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.0533e-01 1.F44 N = 116.4607228(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.3990e-01 1.W45 C = 178.3591208(D), Expected = 176.12, Std = 2.0100, ChiSquare = 2.6528e-01 1.W45 CA = 62.20206652(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.8325e-02 1.W45 CB = 28.51015434(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.5555e-01 1.W45 H = 8.364217917(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.2515e-01 1.W45 N = 120.8254869(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.3802e-01 1.L46 C = 179.4183293(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.2004e-01 1.L46 CA = 57.89961193(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8451e-01 1.L46 CB = 40.75883875(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.0932e-01 1.L46 H = 8.814938551(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6817e-01 1.L46 N = 118.7012924(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.1798e-01 1.L47 C = 179.0562924(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9668e-01 1.L47 CA = 57.33422005(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2094e-01 1.L47 CB = 40.93131878(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.6335e-01 1.L47 H = 8.423098099(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6641e-01 1.L47 N = 121.2202134(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6969e-01 1.A48 C = 179.9750164(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.9404e-01 1.A48 CA = 54.67493193(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3821e-01 1.A48 CB = 16.55902737(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8046e-01 1.A48 H = 8.201823673(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9757e-01 1.A48 N = 121.4295129(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1102e-01 1.Q49 C = 178.2428822(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.2158e-01 1.Q49 CA = 56.43439322(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.4947e-01 1.Q49 CB = 26.54383414(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.4596e-01 1.Q49 H = 7.373693499(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.5145e-01 1.Q49 N = 114.5208613(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.3585e-01 1.T50 C = 176.6998691(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.1975e-01 1.T50 CA = 65.55351767(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.9807e-01 1.T50 CB = 68.60633813(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9059e-01 1.T50 H = 7.577577017(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8533e-01 1.T50 N = 111.2483747(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7982e-01 1.L51 C = 177.180375(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.2340e-01 1.L51 CA = 55.93591099(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8209e-01 1.L51 CB = 39.43807139(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2661e-01 1.L51 H = 7.20341346(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1425e-01 1.L51 N = 119.9721657(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2834e-01 1.A52 C = 177.4933515(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0781e-01 1.A52 CA = 52.85455798(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8537e-01 1.A52 CB = 17.22674048(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2983e-01 1.A52 H = 7.12463363(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3089e-02 1.A52 N = 118.8855691(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1973e-01 1.Y53 C = 174.93664(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.1588e-01 1.Y53 CA = 58.18867351(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.8135e-01 1.Y53 CB = 41.53027509(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.0618e-01 1.Y53 H = 7.748493298(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.3369e-01 1.Y53 N = 113.9291633(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.1659e-01 1.I54 C = 172.6990991(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.0078e-01 1.I54 CA = 57.41677396(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1767e-01 1.I54 CB = 39.81761386(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.5658e-01 1.I54 H = 7.831554172(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.0959e-01 1.I54 N = 119.2185591(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.0049e-01 1.P55 C = 177.7603937(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.0341e-01 1.P55 CA = 62.7512776(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.0340e-01 1.P55 CB = 31.9413924(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.3826e-01 1.T56 C = 175.8023449(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.7323e-01 1.T56 CA = 65.8382585(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6241e-01 1.T56 CB = 68.0810453(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.1172e-01 1.T56 H = 8.20458811(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5445e-01 1.T56 N = 118.3399443(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.3874e-01 1.G57 C = 176.1234609(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.3066e-01 1.G57 CA = 47.24193659(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5798e-01 1.G57 H = 8.779836202(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8890e-01 1.G57 N = 107.2128019(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2547e-01 1.I58 C = 176.910523(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.8070e-01 1.I58 CA = 64.38055564(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.0123e-01 1.I58 CB = 37.01346234(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.2356e-01 1.I58 H = 6.892671292(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1332e-02 1.I58 N = 119.5027728(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4746e-01 1.A59 C = 179.4525433(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.2139e-01 1.A59 CA = 55.49967378(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3336e-01 1.A59 CB = 17.24397596(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.3452e-01 1.A59 H = 7.924770957(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4644e-01 1.A59 N = 121.4404646(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1319e-01 1.Y60 C = 177.8369336(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.2073e-01 1.Y60 CA = 60.87790948(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.7361e-01 1.Y60 CB = 37.33358849(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.5776e-01 1.Y60 H = 8.708193625(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.9488e-01 1.Y60 N = 115.1496392(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.0102e-01 1.A61 C = 179.9963631(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8945e-01 1.A61 CA = 55.27025419(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8198e-01 1.A61 CB = 18.06673198(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.0624e-01 1.A61 H = 8.131161271(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0866e-01 1.A61 N = 119.7147178(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2070e-01 1.I62 C = 177.1596316(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.9518e-01 1.I62 CA = 64.87148416(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.2361e-01 1.I62 CB = 36.82824736(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.7242e-01 1.I62 H = 8.165597068(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6639e-01 1.I62 N = 116.0170461(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0347e-01 1.W63 C = 181.0057263(D), Expected = 176.12, Std = 2.0100, ChiSquare = 1.5069e-02 1.W63 CA = 61.79177599(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.0927e-01 1.W63 CB = 28.90114488(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.8117e-01 1.W63 H = 8.718692958(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.8737e-01 1.W63 N = 121.3868177(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.4408e-01 1.V64 C = 177.4307257(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.4058e-01 1.V64 CA = 64.82735081(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1378e-01 1.V64 CB = 31.38896818(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.5375e-01 1.V64 H = 9.179001434(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8455e-01 1.V64 N = 119.5176813(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2084e-01 1.G65 C = 174.7923112(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2372e-01 1.G65 CA = 47.08101806(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9642e-01 1.G65 H = 8.446986113(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5717e-01 1.G65 N = 109.4679361(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5836e-01 1.V66 C = 178.2517891(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.6601e-01 1.V66 CA = 65.96214577(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2473e-01 1.V66 CB = 29.43637474(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.5766e-02 1.V66 H = 8.578800343(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6644e-01 1.V66 N = 118.1729239(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1341e-01 1.G67 C = 174.3439342(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.0097e-01 1.G67 CA = 47.00901416(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1569e-01 1.G67 H = 6.997884937(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0422e-02 1.G67 N = 105.9869258(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4125e-01 1.I68 C = 178.9758395(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.0352e-01 1.I68 CA = 66.21961408(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.5432e-02 1.I68 CB = 37.59337882(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.0783e-01 1.I68 H = 8.753542941(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.8619e-01 1.I68 N = 120.9930584(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1312e-01 1.V69 C = 177.648637(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.8565e-01 1.V69 CA = 66.83741048(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2849e-01 1.V69 CB = 30.89895906(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0634e-01 1.V69 H = 7.451498972(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1075e-01 1.V69 N = 119.5701401(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2950e-01 1.L70 C = 179.346275(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.3403e-01 1.L70 CA = 57.73757177(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2014e-01 1.L70 CB = 41.24125543(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.6971e-01 1.L70 H = 8.562518636(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0895e-01 1.L70 N = 118.0676854(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3086e-01 1.I71 C = 179.5268091(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.5492e-02 1.I71 CA = 65.55254417(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4126e-01 1.I71 CB = 37.24453214(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.9279e-01 1.I71 H = 9.032217973(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.6864e-01 1.I71 N = 119.8470277(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.0628e-01 1.S72 C = 176.5593796(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.5951e-01 1.S72 CA = 63.03575109(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.7078e-02 1.S72 CB = 61.9983514(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.2348e-01 1.S72 H = 7.855297118(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7163e-01 1.S72 N = 118.4776414(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3241e-01 1.L73 C = 178.3472501(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9304e-01 1.L73 CA = 58.13019294(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3860e-01 1.L73 CB = 41.49550669(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6484e-01 1.L73 H = 8.34697553(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5718e-01 1.L73 N = 123.9246673(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9653e-01 1.L74 C = 179.0625664(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9521e-01 1.L74 CA = 58.01847634(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6015e-01 1.L74 CB = 40.36638228(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0121e-01 1.L74 H = 8.644911375(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2326e-01 1.L74 N = 119.1787267(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9176e-01 1.S75 C = 176.8043355(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.0410e-01 1.S75 CA = 62.71445106(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.3646e-02 1.S75 H = 8.246568495(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5481e-01 1.S75 N = 115.2380261(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6722e-01 1.W76 C = 177.7357747(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.2147e-01 1.W76 CA = 59.17838142(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.5618e-01 1.W76 CB = 27.99060668(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.1505e-01 1.W76 H = 7.767725285(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.0854e-01 1.W76 N = 125.0995342(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.1332e-01 1.G77 C = 173.6762009(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1790e-01 1.G77 CA = 47.00064024(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1802e-01 1.G77 H = 8.177524054(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1454e-01 1.G77 N = 103.9323724(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3818e-01 1.F78 C = 176.6249797(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.4484e-01 1.F78 CA = 58.56713131(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.4967e-01 1.F78 CB = 38.08902976(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.6306e-01 1.F78 H = 8.461686761(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8769e-01 1.F78 N = 114.3993811(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4775e-01 1.F79 C = 176.5617356(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.6615e-01 1.F79 CA = 55.20640535(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.6351e-01 1.F79 CB = 38.85933836(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.8852e-01 1.F79 H = 6.807586161(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.1073e-02 1.F79 N = 112.3160097(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.1663e-02 1.G80 C = 175.0652464(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.2493e-01 1.G80 CA = 46.34000698(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6002e-01 1.G80 H = 7.46461851(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.8307e-01 1.G80 N = 108.8506778(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3233e-01 1.Q81 C = 174.1899879(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.7695e-01 1.Q81 CA = 55.27504184(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.4510e-01 1.Q81 CB = 25.39281647(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.6946e-02 1.Q81 H = 7.679698717(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5979e-01 1.Q81 N = 119.5633758(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.2771e-01 1.R82 C = 175.2372344(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.6346e-01 1.R82 CA = 55.36897602(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.4418e-01 1.R82 CB = 29.75309646(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.0485e-01 1.R82 H = 7.752171696(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2387e-01 1.R82 N = 125.9111233(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.6487e-01 1.L83 C = 174.8127855(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.7150e-01 1.L83 CA = 52.79228545(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8432e-01 1.L83 CB = 43.04557798(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9560e-01 1.L83 H = 6.414732205(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2267e-03 1.L83 N = 122.6364948(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4218e-01 1.D84 C = 175.4238939(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.7700e-01 1.D84 CA = 50.98833884(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.8231e-02 1.D84 CB = 41.01340931(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3437e-01 1.D84 H = 7.460811435(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4316e-01 1.D84 N = 119.0515544(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.7880e-01 1.L85 C = 176.0411864(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.3180e-01 1.L85 CA = 59.3781109(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7670e-02 1.L85 CB = 38.17315846(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.7775e-02 1.L85 H = 8.754583753(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1964e-01 1.L85 N = 118.5111041(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9051e-01 1.P86 C = 177.6207651(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.6417e-01 1.P86 CA = 66.22686176(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.6672e-02 1.P86 CB = 30.42044797(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.2571e-01 1.A87 C = 179.1321513(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.1337e-01 1.A87 CA = 55.32993316(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6871e-01 1.A87 CB = 17.83289551(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.2008e-01 1.A87 H = 7.539201337(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7075e-01 1.A87 N = 117.4981545(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.0541e-01 1.I88 C = 178.217674(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.1751e-01 1.I88 CA = 65.30270709(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6824e-01 1.I88 CB = 37.26241963(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.9839e-01 1.I88 H = 8.259832243(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.7634e-01 1.I88 N = 118.2773415(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5711e-01 1.I89 C = 178.3348897(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.9559e-01 1.I89 CA = 64.32383219(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1124e-01 1.I89 CB = 36.09405378(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.0933e-01 1.I89 H = 8.776011089(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.6574e-01 1.I89 N = 119.2556555(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.0653e-01 1.G90 C = 175.6587218(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.4138e-01 1.G90 CA = 47.5468633(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0112e-01 1.G90 H = 8.837377247(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3505e-01 1.G90 N = 107.4823489(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7188e-01 1.M91 C = 178.594851(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.4791e-01 1.M91 CA = 59.55532259(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.2235e-01 1.M91 CB = 32.72959612(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.0745e-01 1.M91 H = 8.631371587(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.3595e-01 1.M91 N = 120.6910373(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.6630e-01 1.M92 C = 178.1999945(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.3379e-01 1.M92 CA = 59.1590238(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.7154e-01 1.M92 CB = 31.55583022(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.2201e-01 1.M92 H = 8.573054456(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.0184e-01 1.M92 N = 120.1835345(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.7910e-01 1.L93 C = 178.8230849(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.5455e-01 1.L93 CB = 39.49808688(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3473e-01 1.L93 H = 8.245796942(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8061e-01 1.L93 N = 120.4561472(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1888e-01 1.I94 C = 177.7477317(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.2296e-01 1.I94 CB = 37.41326896(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.4695e-01 1.I94 H = 7.957960943(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.3579e-01 1.I94 N = 118.5488663(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.9640e-01 1.C95 C = 176.542922(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.4158e-01 1.C95 CA = 64.40000904(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.6976e-02 1.C95 CB = 26.238858(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.9828e-01 1.C95 H = 8.42777985(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.5503e-01 1.C95 N = 116.8525108(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.7462e-01 1.A96 C = 179.0059564(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.5228e-01 1.A96 CA = 54.97268522(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5465e-01 1.A96 CB = 17.22913222(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.3048e-01 1.A96 H = 8.802544673(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1526e-01 1.A96 N = 120.0757057(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7291e-01 1.G97 C = 175.13116(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.0233e-01 1.G97 CA = 48.41907114(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2001e-02 1.G97 H = 8.539434474(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4730e-01 1.G97 N = 105.6789158(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0241e-01 1.V98 C = 178.5577252(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.2206e-01 1.V98 CA = 66.72061078(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3908e-01 1.V98 CB = 30.68304829(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.5281e-01 1.V98 H = 8.344355598(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3534e-01 1.V98 N = 120.6744673(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1833e-01 1.L99 C = 178.2031424(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.4008e-01 1.L99 CA = 58.53531564(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7110e-01 1.L99 CB = 40.61745128(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.6797e-01 1.L99 H = 8.128565846(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7599e-01 1.L99 N = 120.5171975(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3061e-01 1.I100 C = 177.6792726(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.4072e-01 1.I100 CA = 65.87414043(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1159e-01 1.I100 CB = 37.57199236(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.0044e-01 1.I100 H = 8.445884484(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0727e-01 1.I100 N = 119.2419313(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.0429e-01 1.I101 C = 176.7155596(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.5212e-01 1.I101 CA = 65.61272782(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3529e-01 1.I101 CB = 38.03428358(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.6806e-01 1.I101 H = 8.017061434(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9900e-01 1.I101 N = 117.7556086(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8676e-01 1.N102 C = 175.9374749(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.0923e-01 1.N102 CA = 56.32404629(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3864e-01 1.N102 CB = 39.85609605(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.9020e-01 1.N102 H = 7.437989476(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.5221e-01 1.N102 N = 114.2403516(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.4455e-01 1.L103 C = 177.5549477(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.7539e-01 1.L103 CA = 56.02983603(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4742e-01 1.L103 CB = 41.78874062(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.8158e-01 1.L103 H = 8.354001313(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4870e-01 1.L103 N = 115.3785908(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6533e-02 1.L104 C = 176.6256906(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5402e-01 1.L104 CA = 54.37600779(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5920e-01 1.L104 CB = 42.50142147(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1890e-01 1.L104 H = 7.649035229(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7143e-01 1.L104 N = 114.7722832(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9162e-02 1.S105 C = 175.2255049(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.2481e-01 1.S105 CA = 57.6717124(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.1256e-01 1.S105 CB = 63.30906271(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.4010e-01 1.S105 H = 7.058644672(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.8444e-02 1.S105 N = 112.7292509(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1310e-01 1.R106 C = 176.4085315(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.9942e-01 1.R106 CA = 55.2576246(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.1266e-01 1.R106 CB = 30.00286686(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.0324e-01 1.R106 H = 9.254609555(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6254e-02 1.R106 N = 127.2324973(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0471e-02 1.S107 C = 174.2477674(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.2866e-01 1.S107 CA = 58.37587839(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6797e-01 1.S107 CB = 63.23126534(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.0077e-01 1.S107 H = 8.355113835(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9869e-01 1.S107 N = 117.1731263(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.9970e-01 1.T108 C = 172.8308708(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.3150e-01 1.T108 CA = 59.16093815(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.3756e-01 1.T108 CB = 69.34266888(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.1217e-01 1.T108 H = 7.829822767(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.0824e-01 1.T108 N = 117.3364619(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8661e-01 1.P109 C = 175.5553925(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.2887e-01 1.P109 CA = 63.06059351(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5932e-01 1.P109 CB = 31.00377592(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.7329e-01 1.H110 C = 178.7900258(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.2341e-02 1.H110 CA = 56.76993638(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.1384e-01 1.H110 CB = 30.13334881(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.5891e-01 1.H110 H = 7.813098501(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.3014e-01 1.H110 N = 123.7176161(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.1398e-01