Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.24 Q 0.2 R 0.1 W 0.08 E 0.05 V 0.02 C Shift Assignments>> C :: 176.098(D) CA :: 55.556(D) CB :: 32.989(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.447 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.195 Ave N Shift Values>> N :: 120.1(3.88) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.322(D) CA :: 58.291(D) CB :: 63.881(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.411(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.702(D) Ave N Shift Values>> N :: 116.3(3.95) 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 177.956(D) CA :: 52.764(D) CB :: 19.145(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.475(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.483(D) Ave N Shift Values>> N :: 123.23(3.7) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.323(D) CA :: 61.748(D) CB :: 70.018(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.102(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.208(D) Ave N Shift Values>> N :: 115.7(5.05) 1.A5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 177.287(D) CA :: 52.464(D) CB :: 19.184(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.719(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 177.809(D) CA :: 52.419(D) CB :: 19.175(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.265(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.441(D) Ave N Shift Values>> N :: 123.23(3.7) 1.T7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.249(D) CA :: 61.974(D) CB :: 70.040(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.135(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.272(D) Ave N Shift Values>> N :: 115.7(5.05) 1.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 K 0.16 W 0.14 M 0.11 R 0.09 Q 0.08 E 0.07 P 0.02 I 0.02 HN Overlap>> 1.A72 1.A72 C Shift Assignments>> C :: 173.920(D) CA :: 59.739(D) CB :: 32.716(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.188(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.681(D) Ave N Shift Values>> N :: 121.02(4.96) 1.P9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.4 I 0.06 W 0.04 R 0.01 K 0.01 E 0.01 C Shift Assignments>> C :: 176.488(D) CA :: 62.706(D) CB :: 32.127(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.17 HN Overlap>> 1.D44 1.D44 C Shift Assignments>> C :: 177.091(D) CA :: 52.067(D) CB :: 19.174(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.311(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.536(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 175.455(D) CA :: 50.294(D) CB :: 18.145(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.285(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.901(D) Ave N Shift Values>> N :: 123.23(3.7) 1.P13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.42 V 0.42 I 0.05 W 0.04 R 0.01 K 0.01 C Shift Assignments>> C :: 176.741(D) CA :: 62.972(D) CB :: 32.160(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.A14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.22 C Shift Assignments>> C :: 178.395(D) CA :: 52.642(D) CB :: 19.078(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.473(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.754(D) Ave N Shift Values>> N :: 123.23(3.7) 1.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 174.274(D) CA :: 45.255(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.371(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.357(D) Ave N Shift Values>> N :: 109.91(4.29) 1.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 E 0.18 W 0.18 Q 0.17 K 0.11 M 0.1 I 0.02 V 0.01 HN Overlap>> 1.Q33 1.Q33 C Shift Assignments>> C :: 177.050(D) CA :: 56.558(D) CB :: 30.298(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.313(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.615(D) Ave N Shift Values>> N :: 120.68(3.68) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 174.312(D) CA :: 45.256(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.521(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.132(D) Ave N Shift Values>> N :: 109.91(4.29) 1.G18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.46 L 0.24 R 0.2 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.147(D) CA :: 44.416(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.097(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.988(D) Ave N Shift Values>> N :: 109.91(4.29) 1.P19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.4 I 0.06 W 0.05 R 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 176.285(D) CA :: 62.722(D) CB :: 32.018(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 175.007(D) CA :: 50.249(D) CB :: 18.040(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.358(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.649(D) Ave N Shift Values>> N :: 123.23(3.7) 1.P22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.42 I 0.06 W 0.03 R 0.01 C Shift Assignments>> C :: 176.551(D) CA :: 63.109(D) CB :: 32.072(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 D 0.19 Y 0.09 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 175.287(D) CA :: 53.109(D) CB :: 38.572(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.467(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.178(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.19 R 0.17 D 0.16 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.742(D) CA :: 55.410(D) CB :: 42.295(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.274(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.942(D) Ave N Shift Values>> N :: 121.98(4.07) 1.T27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.807(D) CA :: 62.157(D) CB :: 69.868(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.130(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.988(D) Ave N Shift Values>> N :: 115.7(5.05) 1.S28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.472(D) CA :: 58.621(D) CB :: 63.692(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.246(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.579(D) Ave N Shift Values>> N :: 116.3(3.95) 1.N29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 D 0.2 Y 0.11 F 0.08 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 175.407(D) CA :: 53.492(D) CB :: 38.557(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.418(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.846(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.19 W 0.18 Q 0.16 M 0.11 K 0.1 I 0.02 V 0.01 HN Overlap>> 1.E41 1.V39 1.E41 1.V39 1.R56 1.D65 1.Q58 1.R56 1.D65 1.Q58 C Shift Assignments>> C :: 176.487(D) CA :: 56.600(D) CB :: 30.442(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.230(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.346(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.18 W 0.18 Q 0.16 M 0.1 K 0.1 I 0.02 V 0.01 HN Overlap>> 1.E55 1.M95 1.E55 1.M95 C Shift Assignments>> C :: 176.590(D) CA :: 56.587(D) CB :: 30.378(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.280(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.598(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.2 D 0.17 R 0.15 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.478(D) CA :: 55.401(D) CB :: 42.183(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.182(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.758(D) Ave N Shift Values>> N :: 121.98(4.07) 1.Q33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.18 W 0.16 E 0.16 R 0.15 M 0.06 L 0.02 I 0.02 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 176.066(D) CA :: 56.085(D) CB :: 29.368(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.288(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.674(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.18 W 0.16 E 0.16 R 0.16 M 0.06 I 0.02 L 0.02 C Shift Assignments>> C :: 176.277(D) CA :: 56.100(D) CB :: 29.459(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.387(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.423(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.571(D) CA :: 62.128(D) CB :: 70.028(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.222(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.414(D) Ave N Shift Values>> N :: 115.7(5.05) 1.Q36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.18 W 0.16 E 0.16 R 0.15 M 0.06 L 0.02 I 0.02 C Shift Assignments>> C :: 175.594(D) CA :: 55.895(D) CB :: 29.410(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.419(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.666(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.22 HN Overlap>> 1.A81 1.A81 C Shift Assignments>> C :: 177.665(D) CA :: 52.672(D) CB :: 18.940(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.316(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.113(D) Ave N Shift Values>> N :: 123.23(3.7) 1.Q38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 K 0.18 W 0.16 E 0.16 R 0.15 M 0.06 L 0.02 I 0.02 C Shift Assignments>> C :: 176.084(D) CA :: 55.827(D) CB :: 29.362(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.319(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.966(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.49 P 0.33 W 0.04 I 0.03 K 0.02 R 0.01 M 0.01 Q 0.01 E 0.01 HN Overlap>> 1.R30 1.R56 1.I45 1.D65 1.Q58 1.R30 1.R56 1.I45 1.D65 1.Q58 C Shift Assignments>> C :: 175.838 CA :: 62.398(D) CB :: 32.916(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.172(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.414(D) Ave N Shift Values>> N :: 121.02(4.96) 1.D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.15 F 0.09 N 0.09 Y 0.08 R 0.04 C Shift Assignments>> C :: 175.962(D) CA :: 54.494(D) CB :: 41.200(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.383 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.603 Ave N Shift Values>> N :: 120.73(4.2) 1.E41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.19 W 0.18 Q 0.16 M 0.11 K 0.09 I 0.02 V 0.01 HN Overlap>> 1.R30 1.R56 1.D65 1.Q58 1.R30 1.R56 1.D65 1.Q58 C Shift Assignments>> C :: 176.238(D) CA :: 56.610(D) CB :: 30.468(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.236(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.309(D) Ave N Shift Values>> N :: 120.68(3.68) 1.V42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 P 0.38 I 0.04 W 0.04 R 0.01 K 0.01 E 0.01 C Shift Assignments>> C :: 176.172(D) CA :: 62.633(D) CB :: 32.511(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.228(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.318(D) Ave N Shift Values>> N :: 121.02(4.96) 1.V43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.48 P 0.33 W 0.04 I 0.03 K 0.02 R 0.01 M 0.01 E 0.01 Q 0.01 C Shift Assignments>> C :: 175.730(D) CA :: 62.378(D) CB :: 32.814(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.198(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.362(D) Ave N Shift Values>> N :: 121.02(4.96) 1.D44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.22 K 0.14 N 0.1 F 0.08 Y 0.07 R 0.04 HN Overlap>> 1.A11 1.A11 C Shift Assignments>> C :: 176.459(D) CA :: 54.189(D) CB :: 41.253(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.370(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.447(D) Ave N Shift Values>> N :: 120.73(4.2) 1.I45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 F 0.21 Y 0.2 E 0.01 HN Overlap>> 1.V39 1.V39 C Shift Assignments>> C :: 176.376(D) CA :: 61.780(D) CB :: 38.853(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.087(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.344(D) Ave N Shift Values>> N :: 121.6(4.72) 1.M46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 K 0.21 R 0.17 W 0.13 E 0.11 Q 0.08 V 0.01 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 176.332(D) CA :: 55.531(D) CB :: 32.024(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.342(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.341(D) Ave N Shift Values>> N :: 120.1(3.88) 1.R47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 W 0.18 E 0.17 Q 0.16 M 0.13 K 0.1 I 0.01 V 0.01 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> C :: 176.131(D) CA :: 56.195(D) CB :: 30.610(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.106(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.040(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.49 P 0.34 W 0.04 I 0.03 K 0.02 R 0.01 M 0.01 E 0.01 Q 0.01 C Shift Assignments>> C :: 175.777(D) CA :: 62.409(D) CB :: 32.825(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.059(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.740(D) Ave N Shift Values>> N :: 121.02(4.96) 1.N49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.24 Y 0.09 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 175.320(D) CA :: 53.248(D) CB :: 38.951(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.518(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.485(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 P 0.37 W 0.04 I 0.04 K 0.01 R 0.01 E 0.01 M 0.01 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> C :: 175.845(D) CA :: 62.605(D) CB :: 32.610(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.103(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.390(D) Ave N Shift Values>> N :: 121.02(4.96) 1.D51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.21 K 0.14 F 0.11 N 0.09 Y 0.09 R 0.03 C Shift Assignments>> C :: 176.262(D) CA :: 54.736(D) CB :: 41.043(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.332(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.120(D) Ave N Shift Values>> N :: 120.73(4.2) 1.K52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 M 0.24 Q 0.18 R 0.11 W 0.1 E 0.07 V 0.03 HN Overlap>> 1.M95 1.L63 1.M95 1.L63 C Shift Assignments>> C :: 176.688(D) CA :: 56.519(D) CB :: 32.857(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.106(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.544(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.42 I 0.04 W 0.03 R 0.01 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 176.325(D) CA :: 63.091(D) CB :: 32.430(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.098(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.956(D) Ave N Shift Values>> N :: 121.02(4.96) 1.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.2 D 0.16 R 0.16 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.581(D) CA :: 55.365(D) CB :: 42.244(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.271(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.350(D) Ave N Shift Values>> N :: 121.98(4.07) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.19 R 0.18 W 0.18 Q 0.17 K 0.12 M 0.08 I 0.02 V 0.01 HN Overlap>> 1.R31 1.R31 C Shift Assignments>> C :: 176.732(D) CA :: 56.914(D) CB :: 30.145(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.315(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.696(D) Ave N Shift Values>> N :: 120.68(3.68) 1.R56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 W 0.18 E 0.18 Q 0.14 M 0.12 K 0.1 V 0.01 I 0.01 HN Overlap>> 1.E41 1.V39 1.R30 1.E41 1.V39 1.R30 1.D65 1.Q58 1.D65 1.Q58 C Shift Assignments>> C :: 176.299(D) CA :: 56.686(D) CB :: 30.699(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.238(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.346(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.2 K 0.13 F 0.11 N 0.1 Y 0.1 R 0.03 HN Overlap>> 1.N29 1.N29 C Shift Assignments>> C :: 176.613(D) CA :: 54.745(D) CB :: 40.971(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.338(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.918(D) Ave N Shift Values>> N :: 120.73(4.2) 1.Q58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 E 0.17 W 0.17 K 0.16 R 0.16 M 0.06 I 0.02 L 0.01 HN Overlap>> 1.E41 1.V39 1.R30 1.R56 1.D65 1.E41 1.V39 1.R30 1.R56 1.D65 C Shift Assignments>> C :: 176.279(D) CA :: 56.468(D) CB :: 29.604(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.252(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.336(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.23 Q 0.13 R 0.13 W 0.12 E 0.09 V 0.03 HN Overlap>> 1.Q76 1.Q76 C Shift Assignments>> C :: 177.060(D) CA :: 56.676(D) CB :: 32.553(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.334(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.836(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.21 D 0.16 R 0.14 F 0.09 Y 0.07 N 0.02 C Shift Assignments>> C :: 177.816(D) CA :: 55.648(D) CB :: 42.078(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.212(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.582(D) Ave N Shift Values>> N :: 121.98(4.07) 1.S61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.817(D) CA :: 58.752(D) CB :: 63.811(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.247(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.972(D) Ave N Shift Values>> N :: 116.3(3.95) 1.E62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.19 W 0.18 R 0.18 Q 0.17 K 0.13 M 0.08 I 0.02 V 0.01 HN Overlap>> 1.M46 1.M46 C Shift Assignments>> C :: 176.612(D) CA :: 56.886(D) CB :: 29.999(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.345(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.376(D) Ave N Shift Values>> N :: 120.68(3.68) 1.L63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.2 D 0.16 R 0.16 F 0.08 Y 0.06 N 0.02 HN Overlap>> 1.K52 1.K52 C Shift Assignments>> C :: 177.203(D) CA :: 55.433(D) CB :: 42.214(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.040(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.543(D) Ave N Shift Values>> N :: 121.98(4.07) 1.D64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.24 K 0.17 F 0.08 N 0.07 Y 0.07 R 0.06 HN Overlap>> 1.K94 1.K94 C Shift Assignments>> C :: 176.025(D) CA :: 54.461(D) CB :: 41.532(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.157(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.989(D) Ave N Shift Values>> N :: 120.73(4.2) 1.D65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.21 K 0.14 F 0.1 N 0.1 Y 0.08 R 0.03 HN Overlap>> 1.E41 1.V39 1.R30 1.R56 1.E41 1.V39 1.R30 1.R56 1.Q58 1.Q58 C Shift Assignments>> C :: 176.637(D) CA :: 54.529(D) CB :: 41.109(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.249(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.358(D) Ave N Shift Values>> N :: 120.73(4.2) 1.R66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.18 W 0.18 Q 0.16 M 0.11 K 0.1 I 0.01 V 0.01 C Shift Assignments>> C :: 176.696(D) CA :: 56.468(D) CB :: 30.434(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.177(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.725(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 178.091(D) CA :: 53.302(D) CB :: 18.922(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.155(D) Ave N Shift Values>> N :: 123.23(3.7) 1.D68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.2 K 0.12 F 0.11 N 0.11 Y 0.09 R 0.02 C Shift Assignments>> C :: 176.545(D) CA :: 54.641(D) CB :: 40.910(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.244(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.791(D) Ave N Shift Values>> N :: 120.73(4.2) 1.A69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 M 0.27 HN Overlap>> 1.A74 1.A74 C Shift Assignments>> C :: 178.281(D) CA :: 53.120(D) CB :: 18.959(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.057(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.608(D) Ave N Shift Values>> N :: 123.23(3.7) 1.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.21 D 0.18 R 0.12 F 0.09 Y 0.07 N 0.02 HN Overlap>> 1.F77 1.F77 C Shift Assignments>> C :: 177.844(D) CA :: 55.511(D) CB :: 41.933(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.099(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.026(D) Ave N Shift Values>> N :: 121.98(4.07) 1.Q71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 K 0.19 W 0.16 E 0.15 R 0.14 M 0.05 L 0.03 I 0.02 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 175.981(D) CA :: 55.886(D) CB :: 29.180(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.129(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.286(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 M 0.25 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 178.403(D) CA :: 53.007(D) CB :: 18.998(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.252(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.757(D) Ave N Shift Values>> N :: 123.23(3.7) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.136(D) CA :: 45.387(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.335(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.215(D) Ave N Shift Values>> N :: 109.91(4.29) 1.A74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.22 HN Overlap>> 1.A69 1.A69 C Shift Assignments>> C :: 178.116(D) CA :: 52.764(D) CB :: 19.230(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.067(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.574(D) Ave N Shift Values>> N :: 123.23(3.7) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.903(D) CA :: 58.611(D) CB :: 63.819(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.347(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.004(D) Ave N Shift Values>> N :: 116.3(3.95) 1.Q76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 K 0.2 W 0.16 E 0.16 R 0.13 M 0.04 L 0.03 I 0.03 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 175.841(D) CA :: 56.395(D) CB :: 29.055(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.365(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.834(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 F 0.33 I 0.13 D 0.06 L 0.06 K 0.02 E 0.02 N 0.01 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 175.812(D) CA :: 57.971(D) CB :: 39.546(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.098(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.988(D) Ave N Shift Values>> N :: 120.69(4.18) 1.E78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.19 W 0.19 Q 0.16 M 0.1 K 0.1 I 0.02 V 0.01 C Shift Assignments>> C :: 176.715(D) CA :: 56.709(D) CB :: 30.433(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.193(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.837(D) Ave N Shift Values>> N :: 120.68(3.68) 1.T79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.087(D) CA :: 62.125(D) CB :: 70.132(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.148(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.683(D) Ave N Shift Values>> N :: 115.7(5.05) 1.S80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.419(D) CA :: 59.605(D) CB :: 63.494(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.452(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.835(D) Ave N Shift Values>> N :: 116.3(3.95) 1.A81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.6 M 0.37 I 0.01 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 178.741(D) CA :: 53.855(D) CB :: 18.494(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.308(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.216(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.62 M 0.35 C Shift Assignments>> C :: 179.072(D) CA :: 53.818(D) CB :: 18.835(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.019(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.714(D) Ave N Shift Values>> N :: 123.23(3.7) 1.K83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.19 Q 0.13 W 0.13 R 0.12 E 0.09 V 0.07 C Shift Assignments>> C :: 177.646(D) CA :: 57.689(D) CB :: 32.617(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.964(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.916(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.22 R 0.16 D 0.13 F 0.1 Y 0.08 N 0.01 HN Overlap>> 1.K87 1.K87 C Shift Assignments>> C :: 177.862(D) CA :: 56.050(D) CB :: 42.108(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.897(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.005(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.22 Q 0.16 R 0.11 W 0.11 E 0.08 V 0.05 HN Overlap>> 1.R86 1.R86 C Shift Assignments>> C :: 177.076(D) CA :: 57.152(D) CB :: 32.762(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.950(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.404(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.19 W 0.19 Q 0.16 M 0.11 K 0.09 I 0.02 V 0.01 HN Overlap>> 1.K85 1.K85 C Shift Assignments>> C :: 176.541(D) CA :: 56.681(D) CB :: 30.520(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.928(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.349(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.21 Q 0.15 R 0.12 W 0.12 E 0.08 V 0.05 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> C :: 176.898(D) CA :: 57.280(D) CB :: 32.704(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.984(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.013(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 E 0.21 F 0.2 I 0.12 N 0.03 M 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 176.196(D) CA :: 57.489(D) CB :: 37.672(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.000(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.706(D) Ave N Shift Values>> N :: 120.79(4.69) 1.W89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 K 0.18 E 0.17 Q 0.17 R 0.12 I 0.08 M 0.03 L 0.02 V 0.01 C Shift Assignments>> C :: 176.317(D) CA :: 58.065(D) CB :: 29.048(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.680(D) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.037(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 Q 0.18 W 0.16 E 0.15 R 0.14 I 0.07 L 0.04 M 0.02 C Shift Assignments>> C :: 176.252(D) CA :: 57.663(D) CB :: 28.627(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.245(D) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.334(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.22 Q 0.15 R 0.12 W 0.11 E 0.08 V 0.04 C Shift Assignments>> C :: 176.130(D) CA :: 56.949(D) CB :: 32.689(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.495(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.302(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.22 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.089(D) CA :: 53.342(D) CB :: 38.809(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.041(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.102(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.19 K 0.19 D 0.14 F 0.08 Y 0.06 N 0.01 G 0.01 C Shift Assignments>> C :: 177.234(D) CA :: 55.544(D) CB :: 42.433(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.962(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.991(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.24 Q 0.16 R 0.11 W 0.1 E 0.07 V 0.03 HN Overlap>> 1.D64 1.D64 C Shift Assignments>> C :: 176.251(D) CA :: 56.377(D) CB :: 32.754(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.154(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.992(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 K 0.24 Q 0.18 R 0.11 W 0.09 E 0.06 V 0.01 HN Overlap>> 1.R31 1.K52 1.R31 1.K52 C Shift Assignments>> C :: 175.191(D) CA :: 55.356(D) CB :: 32.841(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.207(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.593(D) Ave N Shift Values>> N :: 120.1(3.88) 1.M96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.23 M 0.23 W 0.07 E 0.07 R 0.06 V 0.04 Y 0.01 C Shift Assignments>> C :: 180.700(D) CA :: 57.026(D) CB :: 33.594(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.874(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.438(D) Ave N Shift Values>> N :: 120.1(3.88) ########################################################################### Overall Results: #Consistent: 4 #Clerical: 92 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 96 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 271 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 86 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 2 #Duplicate: 86 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 176.098(D), Expected = 176.30, Std = 2.1300, ChiSquare = 9.2445e-01 1.M1 CA = 55.556(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.9631e-01 1.M1 CB = 32.989(D), Expected = 32.90, Std = 2.2300, ChiSquare = 9.6816e-01 1.S2 C = 174.322(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.0430e-01 1.S2 CA = 58.291(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.9530e-01 1.S2 CB = 63.881(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.5885e-01 1.S2 H = 8.411(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.4527e-01 1.S2 N = 117.702(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.2264e-01 1.A3 C = 177.956(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.4295e-01 1.A3 CA = 52.764(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.4756e-01 1.A3 CB = 19.145(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.9464e-01 1.A3 H = 8.475(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4671e-01 1.A3 N = 126.483(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.7930e-01 1.T4 C = 174.323(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.7770e-01 1.T4 CA = 61.748(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.8251e-01 1.T4 CB = 70.018(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.2404e-01 1.T4 H = 8.102(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.8642e-01 1.T4 N = 113.208(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2168e-01 1.A5 C = 177.287(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.1396e-01 1.A5 CA = 52.464(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.3547e-01 1.A5 CB = 19.184(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.7799e-01 1.A5 H = 8.230(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 1.A5 N = 126.719(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.4569e-01 1.A6 C = 177.809(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.9671e-01 1.A6 CA = 52.419(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.1906e-01 1.A6 CB = 19.175(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.8183e-01 1.A6 H = 8.265(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1373e-01 1.A6 N = 123.441(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.5452e-01 1.T7 C = 174.249(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.4539e-01 1.T7 CA = 61.974(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.4841e-01 1.T7 CB = 70.040(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.1398e-01 1.T7 H = 8.135(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.2763e-01 1.T7 N = 114.272(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.7735e-01 1.V8 C = 173.920(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.8325e-01 1.V8 CA = 59.739(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.6725e-01 1.V8 CB = 32.716(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.7661e-01 1.V8 H = 8.188(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.8577e-01 1.V8 N = 124.681(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.6045e-01 1.P10 C = 176.488(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.0017e-01 1.P10 CA = 62.706(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.1721e-01 1.P10 CB = 32.127(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.3691e-01 1.A11 C = 177.091(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.4501e-01 1.A11 CA = 52.067(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.9571e-01 1.A11 CB = 19.174(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.8226e-01 1.A11 H = 8.311(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5323e-01 1.A11 N = 124.536(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.2411e-01 1.A12 C = 175.455(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.8207e-01 1.A12 CA = 50.294(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.6415e-01 1.A12 CB = 18.145(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.8319e-01 1.A12 H = 8.285(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8734e-01 1.A12 N = 124.901(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.5154e-01 1.P13 C = 176.741(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.8065e-01 1.P13 CA = 62.972(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.4148e-01 1.P13 CB = 32.160(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.2021e-01 1.A14 C = 178.395(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8490e-01 1.A14 CA = 52.642(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.0146e-01 1.A14 CB = 19.078(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.2335e-01 1.A14 H = 8.473(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4911e-01 1.A14 N = 124.754(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.8042e-01 1.G15 C = 174.274(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.0399e-01 1.G15 CA = 45.255(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.5788e-01 1.G15 H = 8.371(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.6659e-01 1.G15 N = 108.357(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.1735e-01 1.E16 C = 177.050(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.5465e-01 1.E16 CA = 56.558(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.9387e-01 1.E16 CB = 30.298(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.0138e-01 1.E16 H = 8.313(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.6470e-01 1.E16 N = 120.615(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.8591e-01 1.G17 C = 174.312(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.8850e-01 1.G17 CA = 45.256(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.5844e-01 1.G17 H = 8.521(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.0677e-01 1.G17 N = 110.132(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.5873e-01 1.G18 C = 171.147(D), Expected = 174.04, Std = 1.9400, ChiSquare = 1.3590e-01 1.G18 CA = 44.416(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.1979e-01 1.G18 H = 8.097(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.4263e-01 1.G18 N = 108.988(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.2983e-01 1.P20 C = 176.285(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.0602e-01 1.P20 CA = 62.722(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.2451e-01 1.P20 CB = 32.018(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.9256e-01 1.A21 C = 175.007(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.0013e-01 1.A21 CA = 50.249(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.5762e-01 1.A21 CB = 18.040(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.4203e-01 1.A21 H = 8.358(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.9229e-01 1.A21 N = 125.649(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.1325e-01 1.P24 C = 176.551(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.2975e-01 1.P24 CA = 63.109(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.0729e-01 1.P24 CB = 32.072(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.6491e-01 1.N25 C = 175.287(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.4248e-01 1.N25 CA = 53.109(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.6858e-01 1.N25 CB = 38.572(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.6057e-01 1.N25 H = 8.467(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.8137e-01 1.N25 N = 118.178(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.2947e-01 1.L26 C = 177.742(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.1185e-01 1.L26 CA = 55.410(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.1352e-01 1.L26 CB = 42.295(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6784e-01 1.L26 H = 8.274(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.3379e-01 1.L26 N = 122.942(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.1315e-01 1.T27 C = 174.807(D), Expected = 174.60, Std = 1.8000, ChiSquare = 9.0845e-01 1.T27 CA = 62.157(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.9795e-01 1.T27 CB = 69.868(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.9331e-01 1.T27 H = 8.130(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.2135e-01 1.T27 N = 113.988(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.3460e-01 1.S28 C = 174.472(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.7326e-01 1.S28 CA = 58.621(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.8081e-01 1.S28 CB = 63.692(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.4516e-01 1.S28 H = 8.246(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.4342e-01 1.S28 N = 117.579(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.4609e-01 1.N29 C = 175.407(D), Expected = 175.16, Std = 1.7600, ChiSquare = 8.8839e-01 1.N29 CA = 53.492(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.7451e-01 1.N29 CB = 38.557(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.5386e-01 1.N29 H = 8.418(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.4113e-01 1.N29 N = 120.846(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.9784e-01 1.R30 C = 176.487(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.9889e-01 1.R30 CA = 56.600(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.8453e-01 1.R30 CB = 30.442(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.0198e-01 1.R30 H = 8.230(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.8670e-01 1.R30 N = 121.346(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.5031e-01 1.R31 C = 176.590(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.6307e-01 1.R31 CA = 56.587(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.8027e-01 1.R31 CB = 30.378(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.7342e-01 1.R31 H = 8.280(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.4685e-01 1.R31 N = 121.598(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.0001e-01 1.L32 C = 177.478(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.0796e-01 1.L32 CA = 55.401(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.1029e-01 1.L32 CB = 42.183(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.1992e-01 1.L32 H = 8.182(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.5338e-01 1.L32 N = 122.758(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.4840e-01 1.Q33 C = 176.066(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.6870e-01 1.Q33 CA = 56.085(D), Expected = 56.62, Std = 2.1900, ChiSquare = 8.0700e-01 1.Q33 CB = 29.368(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.9179e-01 1.Q33 H = 8.288(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.1267e-01 1.Q33 N = 120.674(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.5085e-01 1.Q34 C = 176.277(D), Expected = 176.39, Std = 1.9600, ChiSquare = 9.5403e-01 1.Q34 CA = 56.100(D), Expected = 56.62, Std = 2.1900, ChiSquare = 8.1231e-01 1.Q34 CB = 29.459(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.5540e-01 1.Q34 H = 8.387(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.8766e-01 1.Q34 N = 121.423(D), Expected = 119.92, Std = 4.0100, ChiSquare = 7.0780e-01 1.T35 C = 174.571(D), Expected = 174.60, Std = 1.8000, ChiSquare = 9.8715e-01 1.T35 CA = 62.128(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.9355e-01 1.T35 CB = 70.028(D), Expected = 69.64, Std = 1.7000, ChiSquare = 8.1946e-01 1.T35 H = 8.222(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.3829e-01 1.T35 N = 115.414(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.5484e-01 1.Q36 C = 175.594(D), Expected = 176.39, Std = 1.9600, ChiSquare = 6.8465e-01 1.Q36 CA = 55.895(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.4061e-01 1.Q36 CB = 29.410(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.7496e-01 1.Q36 H = 8.419(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.4823e-01 1.Q36 N = 122.666(D), Expected = 119.92, Std = 4.0100, ChiSquare = 4.9348e-01 1.A37 C = 177.665(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.5062e-01 1.A37 CA = 52.672(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.1274e-01 1.A37 CB = 18.940(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.8275e-01 1.A37 H = 8.316(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4670e-01 1.A37 N = 125.113(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.1081e-01 1.Q38 C = 176.084(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.7594e-01 1.Q38 CA = 55.827(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.1728e-01 1.Q38 CB = 29.362(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.9420e-01 1.Q38 H = 8.319(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.7314e-01 1.Q38 N = 119.966(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.9085e-01 1.V39 CA = 62.398(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.7848e-01 1.V39 CB = 32.916(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.9338e-01 1.V39 H = 8.172(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.6800e-01 1.V39 N = 121.414(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.3669e-01 1.D40 C = 175.962(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.0019e-01 1.D40 CA = 54.494(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.9012e-01 1.D40 CB = 41.200(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.6463e-01 1.E41 C = 176.238(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.4294e-01 1.E41 CA = 56.610(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.1148e-01 1.E41 CB = 30.468(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.2875e-01 1.E41 H = 8.236(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.6462e-01 1.E41 N = 121.309(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.6428e-01 1.V42 C = 176.172(D), Expected = 175.69, Std = 2.0300, ChiSquare = 8.1232e-01 1.V42 CA = 62.633(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.5986e-01 1.V42 CB = 32.511(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.3782e-01 1.V42 H = 8.228(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.3041e-01 1.V42 N = 122.318(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.9356e-01 1.V43 C = 175.730(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.8428e-01 1.V43 CA = 62.378(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.7323e-01 1.V43 CB = 32.814(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.3574e-01 1.V43 H = 8.198(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.9690e-01 1.V43 N = 124.362(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.0044e-01 1.D44 C = 176.459(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.7791e-01 1.D44 CA = 54.189(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.7476e-01 1.D44 CB = 41.253(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.4054e-01 1.D44 H = 8.370(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.4405e-01 1.D44 N = 124.447(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.7616e-01 1.I45 C = 176.376(D), Expected = 175.82, Std = 1.9500, ChiSquare = 7.7555e-01 1.I45 CA = 61.780(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.4551e-01 1.I45 CB = 38.853(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.9607e-01 1.I45 H = 8.087(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.0749e-01 1.I45 N = 121.344(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.5675e-01 1.M46 C = 176.332(D), Expected = 176.30, Std = 2.1300, ChiSquare = 9.8801e-01 1.M46 CA = 55.531(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.8808e-01 1.M46 CB = 32.024(D), Expected = 32.90, Std = 2.2300, ChiSquare = 6.9445e-01 1.M46 H = 8.342(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9129e-01 1.M46 N = 122.341(D), Expected = 120.10, Std = 3.8800, ChiSquare = 5.6355e-01 1.R47 C = 176.131(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.6800e-01 1.R47 CA = 56.195(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.5407e-01 1.R47 CB = 30.610(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.7746e-01 1.R47 H = 8.106(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.2328e-01 1.R47 N = 122.040(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.1387e-01 1.V48 C = 175.777(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.6582e-01 1.V48 CA = 62.409(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.8137e-01 1.V48 CB = 32.825(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.3116e-01 1.V48 H = 8.059(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.4491e-01 1.V48 N = 120.740(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.5498e-01 1.N49 C = 175.320(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.2757e-01 1.N49 CA = 53.248(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.2526e-01 1.N49 CB = 38.951(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.7014e-01 1.N49 H = 8.518(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.1989e-01 1.N49 N = 122.485(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.4782e-01 1.V50 C = 175.845(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.3914e-01 1.V50 CA = 62.605(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.6720e-01 1.V50 CB = 32.610(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.7912e-01 1.V50 H = 8.103(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.9226e-01 1.V50 N = 120.390(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.9893e-01 1.D51 C = 176.262(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.3336e-01 1.D51 CA = 54.736(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.1808e-01 1.D51 CB = 41.043(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.3727e-01 1.D51 H = 8.332(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.9720e-01 1.D51 N = 123.120(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.6932e-01 1.K52 C = 176.688(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.1144e-01 1.K52 CA = 56.519(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.8655e-01 1.K52 CB = 32.857(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.8854e-01 1.K52 H = 8.106(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.5862e-01 1.K52 N = 121.544(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.2556e-01 1.V53 C = 176.325(D), Expected = 175.69, Std = 2.0300, ChiSquare = 7.5443e-01 1.V53 CA = 63.091(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.4071e-01 1.V53 CB = 32.430(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.0415e-01 1.V53 H = 8.098(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.8684e-01 1.V53 N = 121.956(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.5032e-01 1.L54 C = 177.581(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.7002e-01 1.L54 CA = 55.365(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.9739e-01 1.L54 CB = 42.244(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.4599e-01 1.L54 H = 8.271(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.3746e-01 1.L54 N = 125.350(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.0767e-01 1.E55 C = 176.732(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.2524e-01 1.E55 CA = 56.914(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.1728e-01 1.E55 CB = 30.145(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.6749e-01 1.E55 H = 8.315(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.6731e-01 1.E55 N = 121.696(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.8248e-01 1.R56 C = 176.299(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.2954e-01 1.R56 CA = 56.686(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.1277e-01 1.R56 CB = 30.699(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.8242e-01 1.R56 H = 8.238(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.9734e-01 1.R56 N = 121.346(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.5031e-01 1.D57 C = 176.613(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.0869e-01 1.D57 CA = 54.745(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.1468e-01 1.D57 CB = 40.971(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.7109e-01 1.D57 H = 8.338(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.8880e-01 1.D57 N = 120.918(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.6430e-01 1.Q58 C = 176.279(D), Expected = 176.39, Std = 1.9600, ChiSquare = 9.5484e-01 1.Q58 CA = 56.468(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.4467e-01 1.Q58 CB = 29.604(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.9808e-01 1.Q58 H = 8.252(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.5884e-01 1.Q58 N = 121.336(D), Expected = 119.92, Std = 4.0100, ChiSquare = 7.2400e-01 1.K59 C = 177.060(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.6976e-01 1.K59 CA = 56.676(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.4189e-01 1.K59 CB = 32.553(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.8286e-01 1.K59 H = 8.334(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.5862e-01 1.K59 N = 121.836(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.6936e-01 1.L60 C = 177.816(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.8564e-01 1.L60 CA = 55.648(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.9928e-01 1.L60 CB = 42.078(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.7525e-01 1.L60 H = 8.212(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.9018e-01 1.L60 N = 122.582(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.8241e-01 1.S61 C = 174.817(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.6824e-01 1.S61 CA = 58.752(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.3159e-01 1.S61 CB = 63.811(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.9441e-01 1.S61 H = 8.247(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.4471e-01 1.S61 N = 115.972(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.3382e-01 1.E62 C = 176.612(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.8020e-01 1.E62 CA = 56.886(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.0736e-01 1.E62 CB = 29.999(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.6922e-01 1.E62 H = 8.345(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.9346e-01 1.E62 N = 122.376(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.4489e-01 1.L63 C = 177.203(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.1123e-01 1.L63 CA = 55.433(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.2178e-01 1.L63 CB = 42.214(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.3316e-01 1.L63 H = 8.040(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.8184e-01 1.L63 N = 121.543(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.1449e-01 1.D64 C = 176.025(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.2781e-01 1.D64 CA = 54.461(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.7759e-01 1.D64 CB = 41.532(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.1834e-01 1.D64 H = 8.157(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.6150e-01 1.D64 N = 120.989(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.5083e-01 1.D65 C = 176.637(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.9795e-01 1.D65 CA = 54.529(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.9658e-01 1.D65 CB = 41.109(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.0653e-01 1.D65 H = 8.249(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.8700e-01 1.D65 N = 121.358(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.8114e-01 1.R66 C = 176.696(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.2402e-01 1.R66 CA = 56.468(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.4148e-01 1.R66 CB = 30.434(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.9840e-01 1.R66 H = 8.177(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.1638e-01 1.R66 N = 120.725(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.7648e-01 1.A67 C = 178.091(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.9381e-01 1.A67 CA = 53.302(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.4504e-01 1.A67 CB = 18.922(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.9051e-01 1.A67 H = 8.230(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 1.A67 N = 124.155(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.0259e-01 1.D68 C = 176.545(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.3920e-01 1.D68 CA = 54.641(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.5405e-01 1.D68 CB = 40.910(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.9993e-01 1.D68 H = 8.244(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.8007e-01 1.D68 N = 118.791(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.4432e-01 1.A69 C = 178.281(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.2537e-01 1.A69 CA = 53.120(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.8451e-01 1.A69 CB = 18.959(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.7456e-01 1.A69 H = 8.057(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1162e-01 1.A69 N = 123.608(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.1863e-01 1.L70 C = 177.844(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.7581e-01 1.L70 CA = 55.511(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4985e-01 1.L70 CB = 41.933(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.1425e-01 1.L70 H = 8.099(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.5232e-01 1.L70 N = 120.026(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.3116e-01 1.Q71 C = 175.981(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.3470e-01 1.Q71 CA = 55.886(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.3750e-01 1.Q71 CB = 29.180(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.6761e-01 1.Q71 H = 8.129(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.8331e-01 1.Q71 N = 120.286(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.2728e-01 1.A72 C = 178.403(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8208e-01 1.A72 CA = 53.007(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.4079e-01 1.A72 CB = 18.998(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.5775e-01 1.A72 H = 8.252(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3094e-01 1.A72 N = 124.757(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.7982e-01 1.G73 C = 174.136(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.6053e-01 1.G73 CA = 45.387(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.6798e-01 1.G73 H = 8.335(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.9461e-01 1.G73 N = 108.215(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.9277e-01 1.A74 C = 178.116(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.8475e-01 1.A74 CA = 52.764(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.4756e-01 1.A74 CB = 19.230(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.5843e-01 1.A74 H = 8.067(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2457e-01 1.A74 N = 123.574(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.2593e-01 1.S75 C = 174.903(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.2929e-01 1.S75 CA = 58.611(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.8457e-01 1.S75 CB = 63.819(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.9034e-01 1.S75 H = 8.347(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.2675e-01 1.S75 N = 115.004(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.4283e-01 1.Q76 C = 175.841(D), Expected = 176.39, Std = 1.9600, ChiSquare = 7.7940e-01 1.Q76 CA = 56.395(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.1817e-01 1.Q76 CB = 29.055(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.8178e-01 1.Q76 H = 8.365(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.1509e-01 1.Q76 N = 121.834(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.3314e-01 1.F77 C = 175.812(D), Expected = 175.49, Std = 2.1300, ChiSquare = 8.7984e-01 1.F77 CA = 57.971(D), Expected = 58.25, Std = 2.7300, ChiSquare = 9.1860e-01 1.F77 CB = 39.546(D), Expected = 39.95, Std = 2.0400, ChiSquare = 8.4301e-01 1.F77 H = 8.098(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.6346e-01 1.F77 N = 119.988(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.6663e-01 1.E78 C = 176.715(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.1884e-01 1.E78 CA = 56.709(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.4544e-01 1.E78 CB = 30.433(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.4361e-01 1.E78 H = 8.193(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.0957e-01 1.E78 N = 121.837(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.5322e-01 1.T79 C = 175.087(D), Expected = 174.60, Std = 1.8000, ChiSquare = 7.8673e-01 1.T79 CA = 62.125(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.9267e-01 1.T79 CB = 70.132(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.7227e-01 1.T79 H = 8.148(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.4400e-01 1.T79 N = 114.683(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.4040e-01 1.S80 C = 175.419(D), Expected = 174.53, Std = 1.7300, ChiSquare = 6.0734e-01 1.S80 CA = 59.605(D), Expected = 58.57, Std = 2.1200, ChiSquare = 6.2540e-01 1.S80 CB = 63.494(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.4547e-01 1.S80 H = 8.452(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.9387e-01 1.S80 N = 117.835(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.9757e-01 1.A81 C = 178.741(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.6599e-01 1.A81 CA = 53.855(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.3583e-01 1.A81 CB = 18.494(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.2629e-01 1.A81 H = 8.308(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5715e-01 1.A81 N = 125.216(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.9144e-01 1.A82 C = 179.072(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.5957e-01 1.A82 CA = 53.818(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.4941e-01 1.A82 CB = 18.835(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.7197e-01 1.A82 H = 8.019(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6291e-01 1.A82 N = 121.714(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.8200e-01 1.K83 C = 177.646(D), Expected = 176.46, Std = 2.0500, ChiSquare = 5.6290e-01 1.K83 CA = 57.689(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.0593e-01 1.K83 CB = 32.617(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.0979e-01 1.K83 H = 7.964(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.8916e-01 1.K83 N = 118.916(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.8508e-01 1.L84 C = 177.862(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.6953e-01 1.L84 CA = 56.050(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.5637e-01 1.L84 CB = 42.108(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.8798e-01 1.L84 H = 7.897(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.1924e-01 1.L84 N = 121.005(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.1067e-01 1.K85 C = 177.076(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.6380e-01 1.K85 CA = 57.152(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.8971e-01 1.K85 CB = 32.762(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.7115e-01 1.K85 H = 7.950(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.7312e-01 1.K85 N = 120.404(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.5406e-01 1.R86 C = 176.541(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.8116e-01 1.R86 CA = 56.681(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.1113e-01 1.R86 CB = 30.520(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.3696e-01 1.R86 H = 7.928(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.0306e-01 1.R86 N = 120.349(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.4664e-01 1.K87 C = 176.898(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.3081e-01 1.K87 CA = 57.280(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.4496e-01 1.K87 CB = 32.704(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4657e-01 1.K87 H = 7.984(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.1231e-01 1.K87 N = 121.013(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.7147e-01 1.Y88 C = 176.196(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.6978e-01 1.Y88 CA = 57.489(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.4059e-01 1.Y88 CB = 37.672(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.0460e-01 1.Y88 H = 8.000(D), Expected = 8.37, Std = 0.7500, ChiSquare = 6.2178e-01 1.Y88 N = 118.706(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.5679e-01 1.W89 C = 176.317(D), Expected = 176.10, Std = 1.8900, ChiSquare = 9.0859e-01 1.W89 CA = 58.065(D), Expected = 57.71, Std = 2.6500, ChiSquare = 8.9343e-01 1.W89 CB = 29.048(D), Expected = 30.16, Std = 2.1900, ChiSquare = 6.1162e-01 1.W89 H = 7.680(D), Expected = 8.35, Std = 0.8400, ChiSquare = 4.2509e-01 1.W89 N = 121.037(D), Expected = 121.87, Std = 4.5800, ChiSquare = 8.5568e-01 1.W90 C = 176.252(D), Expected = 176.10, Std = 1.8900, ChiSquare = 9.3590e-01 1.W90 CA = 57.663(D), Expected = 57.71, Std = 2.6500, ChiSquare = 9.8585e-01 1.W90 CB = 28.627(D), Expected = 30.16, Std = 2.1900, ChiSquare = 4.8393e-01 1.W90 H = 7.245(D), Expected = 8.35, Std = 0.8400, ChiSquare = 1.8835e-01 1.W90 N = 120.334(D), Expected = 121.87, Std = 4.5800, ChiSquare = 7.3734e-01 1.K91 C = 176.130(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.7211e-01 1.K91 CA = 56.949(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.6136e-01 1.K91 CB = 32.689(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4021e-01 1.K91 H = 7.495(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.5729e-01 1.K91 N = 121.302(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.7244e-01 1.N92 C = 175.089(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.6782e-01 1.N92 CA = 53.342(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.6382e-01 1.N92 CB = 38.809(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.3329e-01 1.N92 H = 8.041(D), Expected = 8.37, Std = 0.6500, ChiSquare = 6.1275e-01 1.N92 N = 118.102(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.1609e-01 1.L93 C = 177.234(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.9948e-01 1.L93 CA = 55.544(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.6175e-01 1.L93 CB = 42.433(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.7298e-01 1.L93 H = 7.962(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.9142e-01 1.L93 N = 121.991(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.9784e-01 1.K94 C = 176.251(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.1880e-01 1.K94 CA = 56.377(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.3696e-01 1.K94 CB = 32.754(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.6775e-01 1.K94 H = 8.154(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.1786e-01 1.K94 N = 120.992(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.6740e-01 1.M95 C = 175.191(D), Expected = 176.30, Std = 2.1300, ChiSquare = 6.0261e-01 1.M95 CA = 55.356(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.3115e-01 1.M95 CB = 32.841(D), Expected = 32.90, Std = 2.2300, ChiSquare = 9.7889e-01 1.M95 H = 8.207(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2961e-01 1.M95 N = 121.593(D), Expected = 120.10, Std = 3.8800, ChiSquare = 7.0039e-01 1.M96 C = 180.700(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.8854e-02 1.M96 CA = 57.026(D), Expected = 56.16, Std = 2.3400, ChiSquare = 7.1132e-01 1.M96 CB = 33.594(D), Expected = 32.90, Std = 2.2300, ChiSquare = 7.5564e-01 1.M96 H = 7.874(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.2001e-01 1.M96 N = 126.438(D), Expected = 120.10, Std = 3.8800, ChiSquare = 1.0236e-01