Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.24 K 0.17 Q 0.17 C 0.16 H 0.08 R 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 171.809 CA :: 54.6 CB :: 33.111 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.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.08 W 0.08 T 0.06 V 0.06 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 173.608 CA :: 59.635 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 :: 8.702 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 :: 121.184 Ave N Shift Values>> N :: 115.42(4.75) 1.P3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.32 C 0.17 W 0.02 K 0.01 C Shift Assignments>> C :: 176.242(D) CA :: 62.68(D) CB :: 32.574(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.L4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.26 D 0.15 K 0.08 F 0.05 C 0.04 Y 0.03 G 0.03 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 177.211(D) CA :: 54.726(D) CB :: 43.065(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 :: 8.354(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 :: 122.625(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.37 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.233(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.729(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.33 C 0.16 W 0.02 K 0.01 C Shift Assignments>> C :: 176.617(D) CA :: 62.853(D) CB :: 32.565(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.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.06 C 0.01 C Shift Assignments>> C :: 177.273(D) CA :: 52.147(D) CB :: 19.619(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.461(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.682(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.597(D) CA :: 58.042(D) CB :: 64.594(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.216(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.327(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.207(D) CA :: 57.454(D) CB :: 64.829 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.08(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 :: 116.535(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.43 D 0.13 P 0.1 L 0.06 M 0.04 C 0.04 H 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 F 0.01 Y 0.01 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> C :: 173.791(D) CA :: 51.832(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 :: 8.367(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 :: 122.622(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.4 P 0.27 C 0.2 W 0.03 K 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 177.568(D) CA :: 62.269(D) CB :: 32.506 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.Q12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.15 K 0.14 E 0.12 Q 0.11 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 177.528(D) CA :: 58.602(D) CB :: 28.882(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 :: 9.005(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 :: 124.413(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.588(D) CA :: 60.409(D) CB :: 61.972(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.691(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 :: 112.49(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 I 0.23 C 0.15 L 0.02 D 0.01 C Shift Assignments>> C :: 176.134(D) CA :: 59.693(D) CB :: 39.742 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 :: 7.216(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 :: 122.477(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 L 0.19 R 0.17 F 0.14 Y 0.09 D 0.07 C 0.06 I 0.01 C Shift Assignments>> C :: 177.81(D) CA :: 57.407(D) CB :: 42.355 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 :: 7.516(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 :: 120.015(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.17 L 0.17 Y 0.13 D 0.08 C 0.07 R 0.07 I 0.02 C Shift Assignments>> C :: 179.838(D) CA :: 57.502(D) CB :: 41.801 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 :: 8.354(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.926(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 K 0.16 M 0.12 R 0.09 W 0.09 Q 0.08 H 0.08 V 0.07 E 0.06 C Shift Assignments>> C :: 178.502(D) CA :: 58.427(D) CB :: 32.572 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 :: 7.633(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.24(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.378(D) CA :: 46.656(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.63(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.922(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.18 L 0.14 Y 0.13 R 0.1 C 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 178.899(D) CA :: 58.142(D) CB :: 41.977 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 :: 8.207(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 :: 121.121(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.15 K 0.14 E 0.12 Q 0.12 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 178.995(D) CA :: 58.519(D) CB :: 28.866 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 :: 7.489(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.642(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 K 0.13 I 0.11 Q 0.11 E 0.1 H 0.08 R 0.08 L 0.02 M 0.01 HN Overlap>> 1.T117 1.T117 C Shift Assignments>> C :: 178.481(D) CA :: 58.838(D) CB :: 28.433 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.458(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.087(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.72 P 0.16 C 0.09 I 0.01 C Shift Assignments>> C :: 177.158(D) CA :: 66.935(D) CB :: 31.839 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 :: 8.426(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 :: 120.081(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.14 R 0.13 H 0.12 Q 0.09 K 0.05 M 0.05 V 0.02 I 0.02 C Shift Assignments>> C :: 179.415(D) CA :: 58.366(D) CB :: 30.442 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 :: 7.625(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.291(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.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.17 M 0.11 Q 0.11 V 0.1 R 0.07 W 0.07 H 0.05 E 0.03 C Shift Assignments>> C :: 178.663(D) CA :: 58.772(D) CB :: 33.052 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 :: 7.984(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.105(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.75 C 0.14 Y 0.04 F 0.04 C Shift Assignments>> C :: 178.385(D) CA :: 64.623(D) CB :: 38.356 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 :: 8.244(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 :: 119.432(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.12 Q 0.1 H 0.1 R 0.09 I 0.07 M 0.02 V 0.01 C Shift Assignments>> C :: 179.921(D) CA :: 59.003(D) CB :: 29.32 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.861(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 :: 119.864(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 176.592(D) CA :: 46.849(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.118(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.817(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 F 0.21 Y 0.2 L 0.15 C 0.11 I 0.02 K 0.01 C Shift Assignments>> C :: 178.962(D) CA :: 55.49(D) CB :: 39.842(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.485(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 :: 124.326(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G29 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 :: 174.729(D) CA :: 46.382(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.28(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.533(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 180.026(D) CA :: 54.391(D) CB :: 18.125(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.288(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.679(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.44 C 0.02 I 0.02 HN Overlap>> 1.F114 1.F114 C Shift Assignments>> C :: 180.035(D) CA :: 54.574(D) CB :: 18.215(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.949(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.433(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.17 L 0.16 Y 0.12 R 0.11 C 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 177.448(D) CA :: 57.874(D) CB :: 42.054 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 :: 7.59(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 :: 118.763(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.12 R 0.09 H 0.09 I 0.08 K 0.08 Q 0.08 V 0.03 M 0.02 C Shift Assignments>> C :: 178.812(D) CA :: 59.637(D) CB :: 29.719 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.442(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 :: 117.974(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 K 0.13 I 0.11 Q 0.11 E 0.11 H 0.09 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 178.623(D) CA :: 58.889(D) CB :: 28.509(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.721(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 :: 120.428(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 K 0.16 Q 0.13 M 0.12 V 0.1 R 0.06 W 0.05 H 0.05 E 0.03 C Shift Assignments>> C :: 179.923(D) CA :: 58.843(D) CB :: 33.347 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.126(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.577(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.19 Y 0.14 L 0.12 R 0.12 C 0.09 I 0.04 D 0.03 C Shift Assignments>> C :: 178.58(D) CA :: 58.611(D) CB :: 42.116 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 :: 8.566(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 :: 121.899(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 C 0.2 D 0.07 I 0.06 E 0.05 L 0.04 M 0.01 C Shift Assignments>> C :: 176.544(D) CA :: 56.681(D) CB :: 38.452(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.959(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 :: 118.139(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.62 M 0.27 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 179.047(D) CA :: 54.821(D) CB :: 19.334(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.84(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.402(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.878(D) CA :: 65.1(D) CB :: 70.405(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 :: 8.191(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.433(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.23 D 0.18 L 0.14 C 0.11 I 0.03 K 0.03 C Shift Assignments>> C :: 174.288(D) CA :: 56.524(D) CB :: 40.135 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 :: 7.145(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 :: 115.813(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 W 0.15 E 0.15 H 0.14 C 0.14 R 0.12 M 0.03 I 0.03 K 0.02 L 0.01 C Shift Assignments>> C :: 175.799(D) CA :: 57.141(D) CB :: 29.135(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 :: 7.7(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 :: 114.505(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.27 R 0.15 K 0.09 C 0.04 F 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 174.978(D) CA :: 53.032(D) CB :: 42.655 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 :: 7.012(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 :: 121.557(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.46 C 0.43 L 0.09 HN Overlap>> 1.H53 1.L169 1.H53 1.L169 C Shift Assignments>> C :: 173.202 CA :: 56.59(D) CB :: 48.262 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.055(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 :: 118.55(D) Ave N Shift Values>> N :: 120.17(4.64) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 D 0.14 P 0.08 L 0.06 M 0.05 C 0.04 H 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.128 CA :: 51.942 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.479 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 :: 116.955 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.5 P 0.38 C 0.09 C Shift Assignments>> C :: 177.532(D) CA :: 65.015(D) CB :: 32.318 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.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.13 I 0.11 R 0.11 K 0.11 Q 0.11 E 0.09 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 177.56(D) CA :: 58.69(D) CB :: 28.102 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.044(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.613(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 E 0.14 R 0.14 W 0.13 Q 0.13 C 0.12 K 0.08 M 0.06 I 0.01 C Shift Assignments>> C :: 176.758(D) CA :: 56.655(D) CB :: 30.081 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 :: 7.682(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.589(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.21 D 0.21 K 0.08 F 0.04 C 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 176.577(D) CA :: 53.743(D) CB :: 42.92 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 :: 7.713(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 :: 118.629(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.53 P 0.35 C 0.1 C Shift Assignments>> C :: 177.643(D) CA :: 65.105(D) CB :: 32.501(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.231(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 :: 119.53(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 F 0.19 L 0.17 Y 0.15 D 0.1 C 0.08 R 0.03 I 0.02 C Shift Assignments>> C :: 179.171(D) CA :: 57.314(D) CB :: 41.438(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 :: 8.427(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 :: 122.123(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.21 F 0.14 D 0.13 Y 0.1 R 0.07 C 0.06 I 0.01 C Shift Assignments>> C :: 178.786(D) CA :: 56.664(D) CB :: 41.777(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 :: 8.019(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 :: 122.232(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G52 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 :: 175.257(D) CA :: 47.449(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.388(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.157(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 Q 0.15 W 0.13 C 0.12 E 0.12 H 0.12 R 0.09 I 0.03 L 0.02 M 0.02 HN Overlap>> 1.C43 1.C43 1.L169 1.L169 C Shift Assignments>> C :: 176.396(D) CA :: 57.022(D) CB :: 28.709(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.03(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.621(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.286(D) CA :: 60.281(D) CB :: 63.529 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.409(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 :: 116.707(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.29 D 0.11 G 0.06 F 0.05 C 0.04 K 0.04 Y 0.03 HN Overlap>> 1.A149 1.A149 C Shift Assignments>> C :: 176.85(D) CA :: 55.025(D) CB :: 43.441 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 :: 8.203(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 :: 120.157(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G56 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 :: 174.356(D) CA :: 46.165(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.704(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.048(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.26 C 0.18 I 0.16 E 0.02 D 0.02 L 0.02 C Shift Assignments>> C :: 173.875(D) CA :: 58.441(D) CB :: 38.683 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 :: 7.826(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 :: 120.122(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.44 C 0.22 P 0.21 W 0.03 K 0.02 R 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 174.579 CA :: 62.204(D) CB :: 33.003 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.R59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.16 K 0.14 H 0.12 R 0.12 Q 0.07 W 0.07 E 0.04 HN Overlap>> 1.Q159 1.Q159 C Shift Assignments>> C :: 174.727(D) CA :: 54.002(D) CB :: 32.302(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.291(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.075(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.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 G 0.06 C 0.02 M 0.01 C Shift Assignments>> C :: 174.581(D) CA :: 48.99(D) CB :: 19.959 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.247(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.632(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.47 P 0.21 C 0.21 W 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 176.501 CA :: 62.604(D) CB :: 33.256 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.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.24 D 0.13 G 0.12 C 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 178.903(D) CA :: 53.856(D) CB :: 43.635 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 :: 8.469(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 :: 121.818(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.09 W 0.08 T 0.06 V 0.06 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 175.657 CA :: 59.779(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.354(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.649(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.274(D) CA :: 58.863(D) CB :: 63.499 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.087(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 :: 118.877(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 D 0.18 L 0.1 M 0.07 H 0.06 R 0.05 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> C :: 170.978 CA :: 53.486(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.958(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 :: 118.72(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.45 V 0.38 C 0.11 W 0.01 I 0.01 C Shift Assignments>> C :: 176.416(D) CA :: 63.905(D) CB :: 31.824 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.S67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.763(D) CA :: 60.663(D) CB :: 62.567(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.365(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.872(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.15 R 0.12 K 0.12 W 0.12 E 0.12 C 0.11 M 0.05 C Shift Assignments>> C :: 174.634(D) CA :: 55.514(D) CB :: 29.564(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.162(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 :: 117.92(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C 0.01 C Shift Assignments>> C :: 174.753(D) CA :: 51.59(D) CB :: 18.412(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.066(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.245(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.23 K 0.16 D 0.11 F 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 176.867(D) CA :: 56.197(D) CB :: 42.698 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 :: 7.676(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 :: 121.877(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.15 Q 0.13 C 0.13 W 0.12 M 0.1 E 0.09 K 0.06 C Shift Assignments>> C :: 175.801 CA :: 54.101(D) CB :: 30.259 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.602(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 :: 127.754(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.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.19 K 0.19 R 0.18 Y 0.13 C 0.1 L 0.09 I 0.05 D 0.02 G 0.01 C Shift Assignments>> C :: 177.186(D) CA :: 59.303(D) CB :: 42.475 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 :: 8.673(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.94(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.32 I 0.05 C 0.03 C Shift Assignments>> C :: 180.294(D) CA :: 55.697(D) CB :: 18.319(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.915(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.203(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.356(D) CA :: 46.66(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.845(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.731(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C75 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 0.09 D 0.06 L 0.06 C Shift Assignments>> C :: 175.898(D) CA :: 57.711(D) CB :: 39.45 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.54(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 :: 120.672(D) Ave N Shift Values>> N :: 120.17(4.64) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 K 0.13 C 0.11 L 0.1 I 0.07 D 0.06 R 0.01 C Shift Assignments>> C :: 178.413(D) CA :: 58.234(D) CB :: 40.961 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 :: 8.839(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 :: 118.047(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.151(D) CA :: 61.857(D) CB :: 63.209(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.017(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 :: 112.09(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.12 E 0.12 I 0.1 Q 0.09 H 0.09 R 0.07 M 0.01 V 0.01 C Shift Assignments>> C :: 180.526(D) CA :: 59.227(D) CB :: 28.992 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.182(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 :: 122.526(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 K 0.19 L 0.16 F 0.14 Y 0.1 C 0.07 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 178.231(D) CA :: 58.11(D) CB :: 42.62 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 :: 9.221(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 :: 123.967(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 C 0.24 W 0.12 V 0.07 P 0.05 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 C Shift Assignments>> C :: 175.689(D) CA :: 61.92(D) CB :: 29.289 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.941(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.102(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.205(D) CA :: 61.727(D) CB :: 62.974(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.119(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.016(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G82 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 :: 174.107(D) CA :: 47.219(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.678(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.14(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 R 0.16 L 0.16 F 0.15 Y 0.11 C 0.07 D 0.05 I 0.02 C Shift Assignments>> C :: 178.118(D) CA :: 57.911(D) CB :: 42.336 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 :: 8.092(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 :: 121.86(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 K 0.19 Y 0.17 L 0.15 D 0.1 C 0.09 I 0.03 R 0.02 C Shift Assignments>> C :: 180.044(D) CA :: 57.478(D) CB :: 41.267 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 :: 7.553(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 :: 118.53(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.16 L 0.13 C 0.09 D 0.08 I 0.04 R 0.01 C Shift Assignments>> C :: 178.774(D) CA :: 57.782(D) CB :: 41.111 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 :: 7.876(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 :: 123.742(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 C 0.16 Y 0.06 F 0.05 V 0.01 C Shift Assignments>> C :: 177.448(D) CA :: 63.876(D) CB :: 38.01 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 :: 8.123(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 :: 116.889(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.17 I 0.12 E 0.11 K 0.08 R 0.08 H 0.08 Q 0.07 V 0.03 M 0.01 C Shift Assignments>> C :: 178.167(D) CA :: 60.039(D) CB :: 29.557(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.919(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.589(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 176.693(D) CA :: 46.95(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.954(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.507(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.23 F 0.09 G 0.09 C 0.07 Y 0.05 K 0.04 D 0.03 C Shift Assignments>> C :: 177.68(D) CA :: 57.503(D) CB :: 43.653 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 :: 8.533(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.075(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.19 R 0.15 F 0.14 Y 0.1 D 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 179.945(D) CA :: 57.312(D) CB :: 42.262 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 :: 8.511(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.079(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 K 0.14 E 0.12 Q 0.11 H 0.09 I 0.08 R 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 178.611(D) CA :: 58.659(D) CB :: 28.756(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.119(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 :: 119.747(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.69 M 0.27 C 0.01 C Shift Assignments>> C :: 177.637(D) CA :: 53.608(D) CB :: 18.417(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.88(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.652(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.24 K 0.19 F 0.11 Y 0.08 C 0.05 R 0.04 C Shift Assignments>> C :: 176.383(D) CA :: 55.268(D) CB :: 41.596 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 :: 7.332(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.063(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 L 0.23 C 0.13 Q 0.12 H 0.07 W 0.07 K 0.05 E 0.04 I 0.02 C Shift Assignments>> C :: 176.317(D) CA :: 56.046(D) CB :: 27.084(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 :: 7.932(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.615(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.433(D) CA :: 45.88(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.018(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.554(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I96 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.628(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 :: 111.268(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.51 P 0.37 C 0.09 I 0.01 C Shift Assignments>> C :: 178.663(D) CA :: 65.297(D) CB :: 32.131 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.E99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 C 0.14 K 0.14 E 0.13 Q 0.12 H 0.1 R 0.09 I 0.06 M 0.02 L 0.01 C Shift Assignments>> C :: 177.129(D) CA :: 58.289(D) CB :: 28.966 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.949(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.488(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.24 D 0.17 K 0.05 G 0.05 C 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 176.666(D) CA :: 53.991(D) CB :: 43.191(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 :: 7.797(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 :: 121.075(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.73 A 0.15 G 0.03 C 0.02 D 0.02 C Shift Assignments>> CA :: 48.926(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.895(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.323(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.55 P 0.33 C 0.09 C Shift Assignments>> C :: 178.878(D) CA :: 65.382(D) CB :: 32.466 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.T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.63(D) CA :: 66.187(D) CB :: 67.547(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 :: 7.557(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.641(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.18 L 0.16 Y 0.14 D 0.08 C 0.08 R 0.06 I 0.02 C Shift Assignments>> C :: 178.085(D) CA :: 57.522(D) CB :: 41.675 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 :: 8.237(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.824(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.27 C 0.15 D 0.13 L 0.08 I 0.05 C Shift Assignments>> C :: 177.909(D) CA :: 56.628(D) CB :: 39.391(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.026(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.832(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.35 T 0.21 S 0.15 I 0.15 P 0.08 C 0.03 C Shift Assignments>> C :: 174.514(D) CA :: 66.421(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 :: 7.959(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 :: 117.352(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.27 L 0.2 K 0.15 F 0.12 Y 0.08 C 0.06 D 0.05 G 0.01 I 0.01 C Shift Assignments>> C :: 177.462(D) CA :: 57.473(D) CB :: 42.826 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 :: 7.343(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 :: 120.695(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.17 E 0.11 R 0.09 I 0.09 H 0.08 Q 0.06 K 0.06 V 0.05 M 0.02 C Shift Assignments>> C :: 177.951(D) CA :: 60.004(D) CB :: 29.964(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.621(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.75(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.17 F 0.16 R 0.13 Y 0.11 C 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 178.862(D) CA :: 57.726(D) CB :: 42.152(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 :: 8.113(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.483(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.27 C 0.15 D 0.13 L 0.08 I 0.05 C Shift Assignments>> C :: 179.602(D) CA :: 56.614(D) CB :: 39.381 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.406(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 :: 119.713(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 T 0.33 I 0.13 S 0.09 P 0.04 C 0.02 C Shift Assignments>> C :: 176.624(D) CA :: 67.064(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 :: 8.581(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 :: 122.578(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.53 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 180.286(D) CA :: 54.967(D) CB :: 18.8(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.275(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.908(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.21 D 0.19 L 0.15 C 0.11 K 0.03 I 0.03 C Shift Assignments>> C :: 178.241(D) CA :: 56.376(D) CB :: 40.221(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.618(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.99(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 D 0.15 L 0.13 C 0.11 I 0.04 K 0.04 HN Overlap>> 1.A31 1.A31 C Shift Assignments>> C :: 176.921(D) CA :: 56.834(D) CB :: 40.252 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 :: 7.942(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.389(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.23 I 0.07 C 0.02 C Shift Assignments>> C :: 179.78(D) CA :: 55.827(D) CB :: 17.796(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.82(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.772(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.656(D) CA :: 66.413(D) CB :: 67.889(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.586(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 :: 116.238(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.Q21 1.Q21 C Shift Assignments>> C :: 177.05(D) CA :: 66.493(D) CB :: 68.415 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 :: 8.349(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 :: 121.1(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 I 0.18 C 0.15 F 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 176.741(D) CA :: 64.684(D) CB :: 43.256 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 :: 8.355(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 :: 120.975(D) Ave N Shift Values>> N :: 121.46(4.28) 1.W119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 E 0.11 R 0.09 H 0.08 I 0.07 V 0.07 Q 0.06 K 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 177.058(D) CA :: 60.106(D) CB :: 30.229 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 :: 8.697(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 :: 121.858(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 Q 0.12 E 0.12 H 0.1 I 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 178.447(D) CA :: 58.463(D) CB :: 28.676 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.803(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.435(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 C 0.12 K 0.12 R 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 178.1(D) CA :: 57.308(D) CB :: 29.562 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 :: 7.628(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 :: 119.169(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 V 0.17 K 0.14 Q 0.1 M 0.08 W 0.05 R 0.04 H 0.03 E 0.02 HN Overlap>> 1.E123 1.E123 C Shift Assignments>> C :: 178.027(D) CA :: 59.635(D) CB :: 33.443 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 :: 8.274(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.623(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 K 0.14 W 0.14 Q 0.12 E 0.12 H 0.1 R 0.07 I 0.07 L 0.02 M 0.01 HN Overlap>> 1.M122 1.M122 C Shift Assignments>> C :: 179.859(D) CA :: 58.298(D) CB :: 28.592(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.221(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.586(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 K 0.14 W 0.14 Q 0.13 E 0.12 H 0.1 R 0.07 I 0.07 L 0.02 M 0.01 C Shift Assignments>> C :: 177.359(D) CA :: 58.23(D) CB :: 28.609(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 :: 7.942(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 :: 120.621(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.21 D 0.2 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 176.634(D) CA :: 54.09(D) CB :: 42.881(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 :: 7.386(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.508(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G126 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 :: 174.762(D) CA :: 46.017(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.741(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.282(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.22 C 0.19 K 0.15 E 0.04 H 0.04 R 0.03 W 0.02 C Shift Assignments>> C :: 173.923(D) CA :: 54.72(D) CB :: 34.209(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.941(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.846(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 174.316(D) CA :: 49.787(D) CB :: 17.718 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.952(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.321(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 P 0.24 C 0.21 W 0.04 K 0.02 R 0.01 H 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 175.557(D) CA :: 62.003(D) CB :: 32.423 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.A130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 177.328(D) CA :: 52.149(D) CB :: 19.712(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.278(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.075(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.26 D 0.15 K 0.05 G 0.05 F 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 176.333(D) CA :: 54.284(D) CB :: 43.243(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 :: 8.126(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.936(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 C 0.15 Q 0.15 R 0.13 W 0.11 K 0.1 M 0.06 E 0.06 L 0.01 C Shift Assignments>> C :: 173.42(D) CA :: 52.925(D) CB :: 29.478 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.444(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.268(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.28 C 0.19 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 176.308(D) CA :: 62.405(D) CB :: 32.593(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.T134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.991(D) CA :: 61.424(D) CB :: 70.397(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 :: 8.257(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 :: 115.593(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.15 Q 0.13 W 0.12 C 0.12 E 0.12 M 0.09 K 0.06 C Shift Assignments>> C :: 175.648(D) CA :: 55.277(D) CB :: 30.327(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.546(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.961(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.355(D) CA :: 44.257(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.305(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.04 C 0.01 C Shift Assignments>> C :: 177.239(D) CA :: 51.657(D) CB :: 19.69(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.146(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.22(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 M 0.26 Q 0.14 P 0.1 K 0.09 H 0.03 R 0.03 W 0.01 E 0.01 C Shift Assignments>> C :: 173.735(D) CA :: 51.75(D) CB :: 34.16 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 :: 8.419(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 :: 121.652(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.33 P 0.22 C 0.22 W 0.06 K 0.03 R 0.02 E 0.02 H 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 173.827(D) CA :: 61.755(D) CB :: 31.937(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.A140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 C 0.01 M 0.01 C Shift Assignments>> C :: 176.295(D) CA :: 50.39(D) CB :: 19.982(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.939(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.463(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.22 D 0.21 L 0.13 C 0.12 I 0.03 K 0.01 C Shift Assignments>> C :: 175.088(D) CA :: 56.014(D) CB :: 39.828(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 :: 8.428(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.443(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 L 0.08 C 0.05 M 0.05 HN Overlap>> 1.F161 1.F161 C Shift Assignments>> C :: 176.898(D) CA :: 53.474(D) CB :: 20.534(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.28(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.034(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 173.896(D) CA :: 55.558(D) CB :: 67.258(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.85(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.577(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 179.485 CA :: 55.42(D) CB :: 18.098 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.06 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.759 Ave N Shift Values>> N :: 123.23(3.54) 1.F145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 Y 0.2 F 0.19 C 0.15 C Shift Assignments>> C :: 176.551(D) CA :: 61.348(D) CB :: 39.342 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 :: 8.715(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.263(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.12 E 0.11 I 0.11 Q 0.09 H 0.08 R 0.07 M 0.01 V 0.01 C Shift Assignments>> C :: 178.021(D) CA :: 59.31(D) CB :: 29.002 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 :: 7.884(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.152(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.15 R 0.11 E 0.11 H 0.09 K 0.07 V 0.07 M 0.05 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.93(D) CA :: 59.288(D) CB :: 31.042 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 :: 7.965(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.548(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.R148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.16 E 0.12 R 0.12 H 0.1 K 0.06 Q 0.06 V 0.05 M 0.05 I 0.02 C Shift Assignments>> C :: 176.505(D) CA :: 59.112(D) CB :: 30.821 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 :: 7.839(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.117(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.A149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.68 M 0.25 C 0.02 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 179.526(D) CA :: 54.191(D) CB :: 19(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.236(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.137(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.738(D) CA :: 46.762(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.275(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.108(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 C 0.09 P 0.05 A 0.04 L 0.03 C Shift Assignments>> C :: 173.54(D) CA :: 47.619(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.909(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.01(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.29 C 0.09 I 0.01 C Shift Assignments>> C :: 178.472(D) CA :: 66.005(D) CB :: 32.004 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 :: 7.38(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 :: 121.022(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.21 F 0.1 G 0.09 C 0.08 Y 0.06 K 0.04 D 0.03 C Shift Assignments>> C :: 178.522(D) CA :: 57.783(D) CB :: 43.63 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 :: 7.942(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 :: 120.328(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.78 P 0.11 C 0.08 I 0.01 C Shift Assignments>> C :: 177.071(D) CA :: 67.27(D) CB :: 32.133 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 :: 9.212(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 :: 119.333(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.3 I 0.05 C 0.02 C Shift Assignments>> C :: 178.832(D) CA :: 55.45(D) CB :: 17.906(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.226(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.802(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.676(D) CA :: 61.125(D) CB :: 62.839(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.093(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 :: 112.809(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.1 K 0.08 F 0.08 C 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 177.227(D) CA :: 57.442(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.552(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 :: 120.865(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.18 F 0.17 Y 0.13 D 0.09 C 0.07 R 0.06 I 0.02 C Shift Assignments>> C :: 177.549(D) CA :: 57.297(D) CB :: 41.74 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 :: 8.852(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 :: 122.733(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 I 0.13 W 0.13 K 0.11 Q 0.1 R 0.1 E 0.09 H 0.08 L 0.02 M 0.01 HN Overlap>> 1.R59 1.R59 C Shift Assignments>> C :: 179.234(D) CA :: 59.025(D) CB :: 28.225 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.236(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.167(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.059(D) CA :: 61.728(D) CB :: 62.911(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.775(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.799(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 F 0.24 Y 0.23 C 0.15 L 0.01 HN Overlap>> 1.A142 1.A142 C Shift Assignments>> C :: 178.278(D) CA :: 60.862(D) CB :: 39.986 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 :: 8.212(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.22 D 0.13 F 0.13 Y 0.09 R 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 178.221(D) CA :: 56.51(D) CB :: 41.913(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 :: 9.122(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 :: 120.756(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.12 E 0.12 Q 0.1 I 0.1 H 0.09 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 179.058(D) CA :: 59.115(D) CB :: 29 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.066(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 :: 121.063(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.58 P 0.28 C 0.1 I 0.02 C Shift Assignments>> C :: 177.694(D) CA :: 66.172(D) CB :: 31.572 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 :: 7.423(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 :: 119.757(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.22 P 0.22 I 0.18 C 0.04 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 174.42(D) CA :: 62.895(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.061(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.459(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 Y 0.18 C 0.16 F 0.16 C Shift Assignments>> C :: 175.71(D) CA :: 61.616(D) CB :: 38.935 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 :: 8.736(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.354(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.07 V 0.05 K 0.05 I 0.04 M 0.04 C Shift Assignments>> C :: 179.31(D) CA :: 59.398(D) CB :: 30.465 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 :: 7.661(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.754(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.V168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 P 0.24 C 0.09 C Shift Assignments>> C :: 177.607(D) CA :: 65.851(D) CB :: 32.729 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 :: 8.453(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 :: 120.599(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 K 0.21 Y 0.17 L 0.13 C 0.09 D 0.07 I 0.04 R 0.03 HN Overlap>> 1.C43 1.H53 1.C43 1.H53 C Shift Assignments>> C :: 178.466(D) CA :: 57.979(D) CB :: 41.414 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 :: 8.114(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 :: 118.637(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.14 E 0.14 H 0.12 Q 0.11 R 0.11 K 0.1 I 0.03 M 0.03 V 0.01 C Shift Assignments>> C :: 178.333(D) CA :: 58.225(D) CB :: 29.701 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.583(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.455(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.H171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.14 C 0.13 W 0.13 E 0.12 H 0.11 R 0.08 I 0.04 L 0.02 M 0.02 C Shift Assignments>> C :: 176.152(D) CA :: 57.583(D) CB :: 28.584(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 :: 7.946(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.021(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.26 K 0.13 D 0.11 F 0.08 Y 0.05 C 0.05 G 0.01 C Shift Assignments>> C :: 176.969(D) CA :: 55.936(D) CB :: 42.855(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 :: 7.794(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.919(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.07 C 0.02 L 0.01 C Shift Assignments>> C :: 176.778(D) CA :: 52.364(D) CB :: 19.582(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.713(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.551(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 C 0.15 Q 0.14 R 0.13 W 0.11 K 0.1 M 0.07 E 0.07 L 0.01 C Shift Assignments>> C :: 171.783(D) CA :: 53.016(D) CB :: 29.566 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 :: 7.753(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.903(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P175 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 5 #Clerical: 170 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 172 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 175 #Suspicious: 0 C Shift Results: #Consistent: 99 #Duplicate: 391 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 3 #Duplicate: 157 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 3 #Duplicate: 157 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P3 C = 176.242(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.3655e-01 1.P3 CA = 62.68(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.6892e-01 1.P3 CB = 32.574(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.3951e-01 1.L4 C = 177.211(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1113e-01 1.L4 CA = 54.726(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7469e-01 1.L4 CB = 43.065(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.8798e-01 1.L4 H = 8.354(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4871e-01 1.L4 N = 122.625(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4449e-01 1.G5 CA = 44.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1171e-01 1.G5 H = 8.233(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8137e-01 1.G5 N = 109.729(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8784e-01 1.P6 C = 176.617(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.2981e-01 1.P6 CA = 62.853(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.5366e-01 1.P6 CB = 32.565(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.4456e-01 1.A7 C = 177.273(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.2646e-01 1.A7 CA = 52.147(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.1601e-01 1.A7 CB = 19.619(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.3929e-01 1.A7 H = 8.461(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6356e-01 1.A7 N = 123.682(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9840e-01 1.S8 C = 173.597(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.5200e-01 1.S8 CA = 58.042(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4326e-01 1.S8 CB = 64.594(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.9162e-01 1.S8 H = 8.216(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1362e-01 1.S8 N = 114.327(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7901e-01 1.S9 C = 173.207(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.1136e-01 1.S9 CA = 57.454(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4081e-01 1.S9 H = 8.08(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3462e-01 1.S9 N = 116.535(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4225e-01 1.L10 C = 173.791(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0617e-01 1.L10 CA = 51.832(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5338e-02 1.L10 H = 8.367(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3307e-01 1.L10 N = 122.622(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4509e-01 1.P11 C = 177.568(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.8801e-01 1.P11 CA = 62.269(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.8516e-01 1.Q12 C = 177.528(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.3222e-01 1.Q12 CA = 58.602(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.4235e-01 1.Q12 CB = 28.882(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6562e-01 1.Q12 H = 9.005(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.8335e-01 1.Q12 N = 124.413(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.0897e-01 1.S13 C = 176.588(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.5255e-01 1.S13 CA = 60.409(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.1453e-01 1.S13 CB = 61.972(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.1678e-01 1.S13 H = 8.691(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.8605e-01 1.S13 N = 112.49(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.8161e-01 1.F14 C = 176.134(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.1975e-01 1.F14 CA = 59.693(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3025e-01 1.F14 H = 7.216(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1209e-01 1.F14 N = 122.477(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.2773e-01 1.L15 C = 177.81(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.7877e-01 1.L15 CA = 57.407(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0149e-01 1.L15 H = 7.516(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7200e-01 1.L15 N = 120.015(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3616e-01 1.L16 C = 179.838(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.5032e-01 1.L16 CA = 57.502(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7693e-01 1.L16 H = 8.354(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4871e-01 1.L16 N = 116.926(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0583e-01 1.K17 C = 178.502(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.5185e-01 1.K17 CA = 58.427(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.0199e-01 1.K17 H = 7.633(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5323e-01 1.K17 N = 120.24(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2988e-01 1.G18 C = 174.378(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8700e-01 1.G18 CA = 46.656(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2975e-01 1.G18 H = 8.63(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4441e-01 1.G18 N = 107.922(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5150e-01 1.L19 C = 178.899(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3498e-01 1.L19 CA = 58.142(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3640e-01 1.L19 H = 8.207(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7177e-01 1.L19 N = 121.121(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4971e-01 1.E20 C = 178.995(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.7583e-01 1.E20 CA = 58.519(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6618e-01 1.E20 H = 7.489(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5403e-01 1.E20 N = 118.642(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6006e-01 1.Q21 C = 178.481(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.6557e-01 1.Q21 CA = 58.838(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.8923e-01 1.Q21 H = 8.458(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8666e-01 1.Q21 N = 121.087(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3951e-01 1.V22 C = 177.158(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.1824e-01 1.V22 CA = 66.935(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2014e-01 1.V22 H = 8.426(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3915e-01 1.V22 N = 120.081(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1556e-01 1.R23 C = 179.415(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.3879e-01 1.R23 CA = 58.366(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.8962e-01 1.R23 H = 7.625(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1336e-01 1.R23 N = 118.291(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9537e-01 1.K24 C = 178.663(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.1178e-01 1.K24 CA = 58.772(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.0757e-01 1.K24 H = 7.984(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.3135e-01 1.K24 N = 122.105(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.7960e-01 1.I25 C = 178.385(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.8673e-01 1.I25 CA = 64.623(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6091e-01 1.I25 H = 8.244(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.5778e-01 1.I25 N = 119.432(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3562e-01 1.Q26 C = 179.921(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.4055e-02 1.Q26 CA = 59.003(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5557e-01 1.Q26 H = 8.861(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.7728e-01 1.Q26 N = 119.864(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9424e-01 1.G27 C = 176.592(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.4765e-01 1.G27 CA = 46.849(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.6329e-01 1.G27 H = 8.118(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4431e-01 1.G27 N = 107.817(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3207e-01 1.D28 C = 178.962(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.4319e-01 1.D28 CA = 55.49(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.9352e-01 1.D28 CB = 39.842(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.2169e-01 1.D28 H = 8.485(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6286e-01 1.D28 N = 124.326(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.4093e-01 1.G29 C = 174.729(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4773e-01 1.G29 CA = 46.382(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.4121e-01 1.G29 H = 9.28(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4387e-01 1.G29 N = 109.533(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7176e-01 1.A30 C = 180.026(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8316e-01 1.A30 CA = 54.391(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2751e-01 1.A30 CB = 18.125(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.2866e-01 1.A30 H = 8.288(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8340e-01 1.A30 N = 125.679(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8906e-01 1.A31 C = 180.035(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8127e-01 1.A31 CA = 54.574(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.6892e-01 1.A31 CB = 18.215(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.6398e-01 1.A31 H = 7.949(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7570e-01 1.A31 N = 121.433(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1171e-01 1.L32 C = 177.448(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1707e-01 1.L32 CA = 57.874(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8996e-01 1.L32 H = 7.59(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2481e-01 1.L32 N = 118.763(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2714e-01 1.Q33 C = 178.812(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.9946e-01 1.Q33 CA = 59.637(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5181e-01 1.Q33 H = 8.442(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0672e-01 1.Q33 N = 117.974(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.9457e-01 1.E34 C = 178.623(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.6867e-01 1.E34 CA = 58.889(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5282e-01 1.E34 CB = 28.509(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.8284e-01 1.E34 H = 8.721(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.0752e-01 1.E34 N = 120.428(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4456e-01 1.K35 C = 179.923(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.0069e-01 1.K35 CA = 58.843(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8954e-01 1.K35 H = 8.126(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1505e-01 1.K35 N = 120.577(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0016e-01 1.L36 C = 178.58(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.2196e-01 1.L36 CA = 58.611(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.6025e-01 1.L36 H = 8.566(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0521e-01 1.L36 N = 121.899(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9202e-01 1.C37 C = 176.544(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.4127e-01 1.C37 CA = 56.681(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.2683e-01 1.C37 CB = 38.452(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.2119e-01 1.C37 H = 7.959(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.2004e-01 1.C37 N = 118.139(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.6159e-01 1.A38 C = 179.047(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3947e-01 1.A38 CA = 54.821(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9589e-01 1.A38 CB = 19.334(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5947e-01 1.A38 H = 8.84(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8612e-01 1.A38 N = 123.402(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6125e-01 1.T39 C = 174.878(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.4771e-01 1.T39 CA = 65.1(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.6615e-01 1.T39 CB = 70.405(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.7879e-01 1.T39 H = 8.191(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.3701e-01 1.T39 N = 110.433(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.9377e-01 1.Y40 C = 174.288(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.7630e-01 1.Y40 CA = 56.524(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.2228e-01 1.Y40 H = 7.145(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.0749e-01 1.Y40 N = 115.813(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.6241e-01 1.K41 C = 175.799(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.7412e-01 1.K41 CA = 57.141(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.3082e-01 1.K41 CB = 29.135(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.0037e-02 1.K41 H = 7.7(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.1412e-01 1.K41 N = 114.505(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2551e-02 1.L42 C = 174.978(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.0955e-01 1.L42 CA = 53.032(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2436e-01 1.L42 H = 7.012(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0952e-02 1.L42 N = 121.557(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3807e-01 1.C43 CA = 56.59(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.0759e-01 1.C43 H = 8.055(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.1707e-01 1.C43 N = 118.55(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.2699e-01 1.P45 C = 177.532(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.0454e-01 1.P45 CA = 65.015(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.6762e-01 1.E46 C = 177.56(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.2345e-01 1.E46 CA = 58.69(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1214e-01 1.E46 H = 10.044(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6715e-03 1.E46 N = 118.613(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5446e-01 1.E47 C = 176.758(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5420e-01 1.E47 CA = 56.655(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.5035e-01 1.E47 H = 7.682(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7207e-01 1.E47 N = 117.589(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.7597e-01 1.L48 C = 176.577(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3477e-01 1.L48 CA = 53.743(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7820e-01 1.L48 H = 7.713(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2639e-01 1.L48 N = 118.629(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0741e-01 1.V49 C = 177.643(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.8700e-01 1.V49 CA = 65.105(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6054e-01 1.V49 CB = 32.501(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.9820e-01 1.V49 H = 7.231(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.1397e-01 1.V49 N = 119.53(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2287e-01 1.L50 C = 179.171(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.7067e-01 1.L50 CA = 57.314(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2644e-01 1.L50 CB = 41.438(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.4277e-01 1.L50 H = 8.427(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6183e-01 1.L50 N = 122.123(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4623e-01 1.L51 C = 178.786(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6437e-01 1.L51 CA = 56.664(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.2403e-01 1.L51 CB = 41.777(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.7679e-01 1.L51 H = 8.019(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4547e-01 1.L51 N = 122.232(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2401e-01 1.G52 C = 175.257(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6066e-01 1.G52 CA = 47.449(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1725e-01 1.G52 H = 8.388(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2890e-01 1.G52 N = 106.157(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6401e-01 1.H53 C = 176.396(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.6075e-01 1.H53 CA = 57.022(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.2796e-01 1.H53 CB = 28.709(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.5953e-01 1.H53 H = 8.03(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.5746e-01 1.H53 N = 118.621(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.8928e-01 1.S54 C = 175.286(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.9860e-01 1.S54 CA = 60.281(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.5079e-01 1.S54 H = 8.409(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2693e-01 1.S54 N = 116.707(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0345e-01 1.L55 C = 176.85(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.4363e-01 1.L55 CA = 55.025(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7998e-01 1.L55 H = 8.203(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6687e-01 1.L55 N = 120.157(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.6235e-01 1.G56 C = 174.356(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9601e-01 1.G56 CA = 46.165(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.4305e-01 1.G56 H = 7.704(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3551e-01 1.G56 N = 107.048(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9808e-01 1.I57 C = 173.875(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.0365e-01 1.I57 CA = 58.441(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.3702e-01 1.I57 H = 7.826(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.0436e-01 1.I57 N = 120.122(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5457e-01 1.P58 CA = 62.204(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.5882e-01 1.R59 C = 174.727(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.0707e-01 1.R59 CA = 54.002(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3081e-01 1.R59 CB = 32.302(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.8135e-01 1.R59 H = 8.291(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3337e-01 1.R59 N = 118.075(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.5900e-01 1.A60 C = 174.581(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.3805e-01 1.A60 CA = 48.99(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6086e-02 1.A60 H = 8.247(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3756e-01 1.A60 N = 126.632(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3654e-01 1.P61 CA = 62.604(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.3291e-01 1.L62 C = 178.903(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3396e-01 1.L62 CA = 53.856(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0758e-01 1.L62 H = 8.469(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1310e-01 1.L62 N = 121.818(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9141e-01 1.S63 CA = 59.779(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.0893e-01 1.S63 H = 7.354(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.1653e-01 1.S63 N = 115.649(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.5773e-01 1.S64 C = 173.274(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.3389e-01 1.S64 CA = 58.863(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4492e-01 1.S64 H = 10.087(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.1934e-03 1.S64 N = 118.877(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.6065e-01 1.C65 CA = 53.486(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.4828e-01 1.C65 H = 7.958(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.1907e-01 1.C65 N = 118.72(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.5466e-01 1.P66 C = 176.416(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.2494e-01 1.P66 CA = 63.905(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.0522e-01 1.S67 C = 174.763(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.3374e-01 1.S67 CA = 60.663(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4791e-01 1.S67 CB = 62.567(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0478e-01 1.S67 H = 8.365(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8545e-01 1.S67 N = 114.872(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.8916e-01 1.Q68 C = 174.634(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.9007e-01 1.Q68 CA = 55.514(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.2169e-01 1.Q68 CB = 29.564(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.3719e-01 1.Q68 H = 8.162(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2169e-01 1.Q68 N = 117.92(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.8423e-01 1.A69 C = 174.753(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6081e-01 1.A69 CA = 51.59(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3373e-01 1.A69 CB = 18.412(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.4384e-01 1.A69 H = 8.066(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2328e-01 1.A69 N = 124.245(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7432e-01 1.L70 C = 176.867(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5047e-01 1.L70 CA = 56.197(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8647e-01 1.L70 H = 7.676(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9404e-01 1.L70 N = 121.877(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9652e-01 1.R71 CA = 54.101(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.4792e-01 1.R71 H = 8.602(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5288e-01 1.R71 N = 127.754(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.8802e-02 1.L72 C = 177.186(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.2115e-01 1.L72 CA = 59.303(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.3790e-02 1.L72 H = 8.673(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9553e-01 1.L72 N = 125.94(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9549e-01 1.A73 C = 180.294(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.3050e-01 1.A73 CA = 55.697(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9656e-01 1.A73 CB = 18.319(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.0573e-01 1.A73 H = 8.915(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3339e-01 1.A73 N = 120.203(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9250e-01 1.G74 C = 175.356(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.2928e-01 1.G74 CA = 46.66(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2827e-01 1.G74 H = 7.845(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.5557e-01 1.G74 N = 105.731(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0876e-01 1.C75 C = 175.898(D), Expected = 174.95, Std = 2.0700, ChiSquare = 6.4697e-01 1.C75 CA = 57.711(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.5961e-01 1.C75 H = 8.54(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.2285e-01 1.C75 N = 120.672(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.1385e-01 1.L76 C = 178.413(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7233e-01 1.L76 CA = 58.234(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1974e-01 1.L76 H = 8.839(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4880e-01 1.L76 N = 118.047(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.2823e-01 1.S77 C = 177.151(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.4115e-01 1.S77 CA = 61.857(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2966e-01 1.S77 CB = 63.209(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.8965e-01 1.S77 H = 8.017(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5577e-01 1.S77 N = 112.09(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3391e-01 1.Q78 C = 180.526(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.0614e-02 1.Q78 CA = 59.227(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1439e-01 1.Q78 H = 8.182(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.4865e-01 1.Q78 N = 122.526(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.6403e-01 1.L79 C = 178.231(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3081e-01 1.L79 CA = 58.11(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4240e-01 1.L79 H = 9.221(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2735e-01 1.L79 N = 123.967(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8902e-01 1.H80 C = 175.689(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.2366e-01 1.H80 CA = 61.92(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.9405e-02 1.H80 H = 8.941(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.0260e-01 1.H80 N = 117.102(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.1763e-01 1.S81 C = 177.205(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.3286e-01 1.S81 CA = 61.727(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4632e-01 1.S81 CB = 62.974(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.7677e-01 1.S81 H = 9.119(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.5502e-01 1.S81 N = 114.016(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.2011e-01 1.G82 C = 174.107(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9968e-01 1.G82 CA = 47.219(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6308e-01 1.G82 H = 8.678(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9238e-01 1.G82 N = 111.14(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0406e-01 1.L83 C = 178.118(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.6888e-01 1.L83 CA = 57.911(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8211e-01 1.L83 H = 8.092(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3187e-01 1.L83 N = 121.86(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0000e+00 1.L84 C = 180.044(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2297e-01 1.L84 CA = 57.478(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8304e-01 1.L84 H = 7.553(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9763e-01 1.L84 N = 118.53(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9319e-01 1.L85 C = 178.774(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6758e-01 1.L85 CA = 57.782(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1009e-01 1.L85 H = 7.876(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8602e-01 1.L85 N = 123.742(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2941e-01 1.Y86 C = 177.448(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.0341e-01 1.Y86 CA = 63.876(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.2065e-02 1.Y86 H = 8.123(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8727e-01 1.Y86 N = 116.889(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.8730e-01 1.Q87 C = 178.167(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.4094e-01 1.Q87 CA = 60.039(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.0501e-01 1.Q87 CB = 29.557(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.4019e-01 1.Q87 H = 8.919(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.3612e-01 1.Q87 N = 120.589(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4605e-01 1.G88 C = 176.693(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.3320e-01 1.G88 CA = 46.95(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3247e-01 1.G88 H = 7.954(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.6295e-01 1.G88 N = 106.507(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1375e-01 1.L89 C = 177.68(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.2748e-01 1.L89 CA = 57.503(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7668e-01 1.L89 H = 8.533(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4111e-01 1.L89 N = 124.075(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7007e-01 1.L90 C = 179.945(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.3559e-01 1.L90 CA = 57.312(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2698e-01 1.L90 H = 8.511(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.6552e-01 1.L90 N = 116.079(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3826e-01 1.Q91 C = 178.611(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.3800e-01 1.Q91 CA = 58.659(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.2898e-01 1.Q91 CB = 28.756(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.1152e-01 1.Q91 H = 8.119(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.6408e-01 1.Q91 N = 119.747(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6831e-01 1.A92 C = 177.637(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6143e-01 1.A92 CA = 53.608(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1315e-01 1.A92 CB = 18.417(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.4590e-01 1.A92 H = 7.88(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9380e-01 1.A92 N = 121.652(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5577e-01 1.L93 C = 176.383(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.5917e-01 1.L93 CA = 55.268(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6874e-01 1.L93 H = 7.332(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6711e-01 1.L93 N = 116.063(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3717e-01 1.E94 C = 176.317(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7672e-01 1.E94 CA = 56.046(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4215e-01 1.E94 CB = 27.084(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8912e-02 1.E94 H = 7.932(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9995e-01 1.E94 N = 115.615(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4634e-01 1.G95 C = 173.433(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1619e-01 1.G95 CA = 45.88(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9246e-01 1.G95 H = 9.018(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8985e-01 1.G95 N = 107.554(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8454e-01 1.I96 H = 7.628(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3765e-01 1.I96 N = 111.268(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.7251e-02 1.P98 C = 178.663(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.0520e-01 1.P98 CA = 65.297(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.9564e-01 1.E99 C = 177.129(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9434e-01 1.E99 CA = 58.289(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.4291e-01 1.E99 H = 8.949(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9411e-01 1.E99 N = 115.488(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.3647e-01 1.L100 C = 176.666(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7002e-01 1.L100 CA = 53.991(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4440e-01 1.L100 CB = 43.191(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3934e-01 1.L100 H = 7.797(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.0531e-01 1.L100 N = 121.075(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4048e-01 1.G101 CA = 48.926(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6155e-03 1.G101 H = 7.895(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.0335e-01 1.G101 N = 108.323(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2779e-01 1.P102 C = 178.878(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.5875e-01 1.P102 CA = 65.382(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.7702e-01 1.T103 C = 176.63(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.3503e-01 1.T103 CA = 66.187(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2561e-01 1.T103 CB = 67.547(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.8048e-01 1.T103 H = 7.557(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7063e-01 1.T103 N = 114.641(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6973e-01 1.L104 C = 178.085(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.8024e-01 1.L104 CA = 57.522(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7188e-01 1.L104 H = 8.237(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9141e-01 1.L104 N = 124.824(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4725e-01 1.D105 C = 177.909(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.8853e-01 1.D105 CA = 56.628(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.3974e-01 1.D105 CB = 39.391(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.5802e-01 1.D105 H = 9.026(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1702e-01 1.D105 N = 120.832(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6239e-01 1.T106 C = 174.514(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.8821e-01 1.T106 CA = 66.421(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.0480e-01 1.T106 H = 7.959(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5039e-01 1.T106 N = 117.352(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8420e-01 1.L107 C = 177.462(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1158e-01 1.L107 CA = 57.473(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8433e-01 1.L107 H = 7.343(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.7237e-01 1.L107 N = 120.695(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.6516e-01 1.Q108 C = 177.951(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.0005e-01 1.Q108 CA = 60.004(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.0857e-01 1.Q108 CB = 29.964(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.7064e-01 1.Q108 H = 8.621(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.9672e-01 1.Q108 N = 116.75(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8309e-01 1.L109 C = 178.862(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4443e-01 1.L109 CA = 57.726(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2279e-01 1.L109 CB = 42.152(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3302e-01 1.L109 H = 8.113(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5715e-01 1.L109 N = 121.483(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2299e-01 1.D110 C = 179.602(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.7293e-02 1.D110 CA = 56.614(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4324e-01 1.D110 H = 8.406(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.6854e-01 1.D110 N = 119.713(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0820e-01 1.V111 C = 176.624(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.9721e-01 1.V111 CA = 67.064(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0975e-01 1.V111 H = 8.581(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6405e-01 1.V111 N = 122.578(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5144e-01 1.A112 C = 180.286(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.3197e-01 1.A112 CA = 54.967(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5615e-01 1.A112 CB = 18.8(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0864e-01 1.A112 H = 8.275(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0052e-01 1.A112 N = 122.908(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2752e-01 1.D113 C = 178.241(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.9280e-01 1.D113 CA = 56.376(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.0623e-01 1.D113 CB = 40.221(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8416e-01 1.D113 H = 8.618(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.9539e-01 1.D113 N = 117.99(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9075e-01 1.F114 C = 176.921(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.5069e-01 1.F114 CA = 56.834(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.2780e-01 1.F114 H = 7.942(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.6154e-01 1.F114 N = 121.389(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.2226e-01 1.A115 C = 179.78(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.3819e-01 1.A115 CA = 55.827(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7476e-01 1.A115 CB = 17.796(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0708e-01 1.A115 H = 8.82(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0145e-01 1.A115 N = 121.772(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8044e-01 1.T116 C = 175.656(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.2602e-01 1.T116 CA = 66.413(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.0546e-01 1.T116 CB = 67.889(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.5871e-01 1.T116 H = 8.586(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.7680e-01 1.T116 N = 116.238(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6327e-01 1.T117 C = 177.05(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.5383e-01 1.T117 CA = 66.493(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8982e-02 1.T117 H = 8.349(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6045e-01 1.T117 N = 121.1(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3178e-01 1.I118 C = 176.741(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.4260e-01 1.I118 CA = 64.684(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5138e-01 1.I118 H = 8.355(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1218e-01 1.I118 N = 120.975(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.0978e-01 1.W119 C = 177.058(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.4074e-01 1.W119 CA = 60.106(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.4310e-01 1.W119 H = 8.697(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.0642e-01 1.W119 N = 121.858(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.6603e-01 1.Q120 C = 178.447(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.7312e-01 1.Q120 CA = 58.463(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7638e-01 1.Q120 H = 8.803(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.2309e-01 1.Q120 N = 116.435(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.3720e-01 1.Q121 C = 178.1(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.5865e-01 1.Q121 CA = 57.308(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3020e-01 1.Q121 H = 7.628(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.1567e-01 1.Q121 N = 119.169(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4126e-01 1.M122 C = 178.027(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.7684e-01 1.M122 CA = 59.635(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.1394e-01 1.M122 H = 8.274(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8138e-01 1.M122 N = 118.623(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.8113e-01 1.E123 C = 179.859(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.2532e-01 1.E123 CA = 58.298(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.3983e-01 1.E123 CB = 28.592(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.0970e-01 1.E123 H = 8.221(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5343e-01 1.E123 N = 118.586(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4927e-01 1.E124 C = 177.359(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.0199e-01 1.E124 CA = 58.23(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.6327e-01 1.E124 CB = 28.609(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.1534e-01 1.E124 H = 7.942(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1078e-01 1.E124 N = 120.621(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8877e-01 1.L125 C = 176.634(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5731e-01 1.L125 CA = 54.09(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7257e-01 1.L125 CB = 42.881(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.6134e-01 1.L125 H = 7.386(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9413e-01 1.L125 N = 116.508(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6997e-01 1.G126 C = 174.762(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.3517e-01 1.G126 CA = 46.017(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.1865e-01 1.G126 H = 7.741(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6485e-01 1.G126 N = 108.282(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.1985e-01 1.M127 C = 173.923(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.8018e-01 1.M127 CA = 54.72(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.3308e-01 1.M127 CB = 34.209(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.8631e-01 1.M127 H = 7.941(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.9496e-01 1.M127 N = 116.846(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.6352e-01 1.A128 C = 174.316(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.0794e-01 1.A128 CA = 49.787(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.0373e-02 1.A128 H = 7.952(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7936e-01 1.A128 N = 124.321(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5794e-01 1.P129 C = 175.557(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.2949e-01 1.P129 CA = 62.003(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.8265e-01 1.A130 C = 177.328(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4662e-01 1.A130 CA = 52.149(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.1672e-01 1.A130 CB = 19.712(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.0127e-01 1.A130 H = 8.278(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9657e-01 1.A130 N = 123.075(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6508e-01 1.L131 C = 176.333(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.4003e-01 1.L131 CA = 54.284(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.3051e-01 1.L131 CB = 43.243(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.1970e-01 1.L131 H = 8.126(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7288e-01 1.L131 N = 120.936(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1272e-01 1.Q132 C = 173.42(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.3833e-01 1.Q132 CA = 52.925(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.8517e-02 1.Q132 H = 8.444(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0420e-01 1.Q132 N = 123.268(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.4807e-01 1.P133 C = 176.308(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.6974e-01 1.P133 CA = 62.405(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.4282e-01 1.P133 CB = 32.593(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.2892e-01 1.T134 C = 173.991(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.5509e-01 1.T134 CA = 61.424(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.5859e-01 1.T134 CB = 70.397(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.8239e-01 1.T134 H = 8.257(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7813e-01 1.T134 N = 115.593(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.7095e-01 1.Q135 C = 175.648(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.3424e-01 1.Q135 CA = 55.277(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.4571e-01 1.Q135 CB = 30.327(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.3215e-01 1.Q135 H = 8.546(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8058e-01 1.Q135 N = 123.961(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.5813e-01 1.G136 C = 172.355(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.2033e-01 1.G136 CA = 44.257(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1469e-01 1.G136 H = 8.305(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6932e-01 1.G136 N = 110.5(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3018e-01 1.A137 C = 177.239(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.1404e-01 1.A137 CA = 51.657(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5386e-01 1.A137 CB = 19.69(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1020e-01 1.A137 H = 8.146(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2829e-01 1.A137 N = 123.22(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9775e-01 1.M138 C = 173.735(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.4206e-01 1.M138 CA = 51.75(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.0565e-02 1.M138 H = 8.419(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.9101e-01 1.M138 N = 121.652(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.6172e-01 1.P139 C = 173.827(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.2897e-02 1.P139 CA = 61.755(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.0012e-01 1.P139 CB = 31.937(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.4123e-01 1.A140 C = 176.295(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.9752e-01 1.A140 CA = 50.39(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6487e-01 1.A140 CB = 19.982(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9532e-01 1.A140 H = 7.939(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6356e-01 1.A140 N = 122.463(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2847e-01 1.F141 C = 175.088(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.6750e-01 1.F141 CA = 56.014(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.2146e-01 1.F141 CB = 39.828(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.3822e-01 1.F141 H = 8.428(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.2476e-01 1.F141 N = 120.443(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.9866e-01 1.A142 C = 176.898(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.9262e-01 1.A142 CA = 53.474(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6604e-01 1.A142 CB = 20.534(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.0497e-01 1.A142 H = 8.28(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9393e-01 1.A142 N = 125.034(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1033e-01 1.S143 C = 173.896(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.7381e-01 1.S143 CA = 55.558(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2663e-01 1.S143 CB = 67.258(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.9466e-02 1.S143 H = 7.85(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6612e-01 1.S143 N = 111.577(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.8152e-01 1.A144 CA = 55.42(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4952e-01 1.F145 C = 176.551(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.6980e-01 1.F145 CA = 61.348(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.0352e-01 1.F145 H = 8.715(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2197e-01 1.F145 N = 117.263(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.4580e-01 1.Q146 C = 178.021(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.8025e-01 1.Q146 CA = 59.31(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.0041e-01 1.Q146 H = 7.884(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.6902e-01 1.Q146 N = 116.152(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9911e-01 1.R147 C = 176.93(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.9783e-01 1.R147 CA = 59.288(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7569e-01 1.R147 H = 7.965(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5212e-01 1.R147 N = 117.548(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.7686e-01 1.R148 C = 176.505(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6267e-01 1.R148 CA = 59.112(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.1065e-01 1.R148 H = 7.839(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1094e-01 1.R148 N = 118.117(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.6596e-01 1.A149 C = 179.526(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.0175e-01 1.A149 CA = 54.191(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9555e-01 1.A149 CB = 19(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.9564e-01 1.A149 H = 8.236(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5216e-01 1.A149 N = 120.137(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8227e-01 1.G150 C = 174.738(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4429e-01 1.G150 CA = 46.762(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9201e-01 1.G150 H = 8.275(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3257e-01 1.G150 N = 106.108(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5736e-01 1.G151 C = 173.54(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6066e-01 1.G151 CA = 47.619(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0402e-02 1.G151 H = 7.909(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1718e-01 1.G151 N = 109.01(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6458e-01 1.V152 C = 178.472(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.3334e-01 1.V152 CA = 66.005(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.1906e-01 1.V152 H = 7.38(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7440e-01 1.V152 N = 121.022(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7926e-01 1.L153 C = 178.522(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.3909e-01 1.L153 CA = 57.783(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0987e-01 1.L153 H = 7.942(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5771e-01 1.L153 N = 120.328(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9445e-01 1.V154 C = 177.071(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.4506e-01 1.V154 CA = 67.27(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4657e-02 1.V154 H = 9.212(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6878e-01 1.V154 N = 119.333(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9062e-01 1.A155 C = 178.832(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.0818e-01 1.A155 CA = 55.45(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4334e-01 1.A155 CB = 17.906(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4632e-01 1.A155 H = 8.226(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6544e-01 1.A155 N = 119.802(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3286e-01 1.S156 C = 177.676(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.5610e-02 1.S156 CA = 61.125(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.4530e-01 1.S156 CB = 62.839(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.1613e-01 1.S156 H = 8.093(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.5128e-01 1.S156 N = 112.809(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.2409e-01 1.H157 C = 177.227(D), Expected = 175.25, Std = 1.9700, ChiSquare = 3.1559e-01 1.H157 CA = 57.442(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.8979e-01 1.H157 H = 8.552(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.4636e-01 1.H157 N = 120.865(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.6895e-01 1.L158 C = 177.549(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.7770e-01 1.L158 CA = 57.297(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3109e-01 1.L158 H = 8.852(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3861e-01 1.L158 N = 122.733(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2288e-01 1.Q159 C = 179.234(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.3375e-01 1.Q159 CA = 59.025(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5130e-01 1.Q159 H = 8.236(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7837e-01 1.Q159 N = 118.167(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.3222e-01 1.S160 C = 176.059(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.0280e-01 1.S160 CA = 61.728(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4618e-01 1.S160 CB = 62.911(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.4806e-01 1.S160 H = 7.775(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.9204e-01 1.S160 N = 115.799(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9131e-01 1.F161 C = 178.278(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.5095e-01 1.F161 CA = 60.862(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.7903e-01 1.F161 H = 8.212(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.3714e-01 1.F161 N = 125(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.7637e-01 1.L162 C = 178.221(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3413e-01 1.L162 CA = 56.51(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7606e-01 1.L162 CB = 41.913(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.3275e-01 1.L162 H = 9.122(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6997e-01 1.L162 N = 120.756(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7712e-01 1.E163 C = 179.058(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.6184e-01 1.E163 CA = 59.115(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.9042e-01 1.E163 H = 8.066(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5454e-01 1.E163 N = 121.063(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1009e-01 1.V164 C = 177.694(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.7502e-01 1.V164 CA = 66.172(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9795e-01 1.V164 H = 7.423(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9565e-01 1.V164 N = 119.757(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.6065e-01 1.S165 C = 174.42(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0743e-01 1.S165 CA = 62.895(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3705e-02 1.S165 H = 8.061(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1050e-01 1.S165 N = 115.459(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1558e-01 1.Y166 C = 175.71(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.7621e-01 1.Y166 CA = 61.616(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.6488e-01 1.Y166 H = 8.736(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.6877e-01 1.Y166 N = 121.354(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.4260e-01 1.R167 C = 179.31(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.5313e-01 1.R167 CA = 59.398(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.5526e-01 1.R167 H = 7.661(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.4253e-01 1.R167 N = 117.754(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0783e-01 1.V168 C = 177.607(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9566e-01 1.V168 CA = 65.851(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3992e-01 1.V168 H = 8.453(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.0779e-01 1.V168 N = 120.599(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0515e-01 1.L169 C = 178.466(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5600e-01 1.L169 CA = 57.979(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6807e-01 1.L169 H = 8.114(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5836e-01 1.L169 N = 118.637(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0857e-01 1.R170 C = 178.333(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.4349e-01 1.R170 CA = 58.225(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.2878e-01 1.R170 H = 8.583(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.7391e-01 1.R170 N = 117.455(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.6337e-01 1.H171 C = 176.152(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.4705e-01 1.H171 CA = 57.583(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.4539e-01 1.H171 CB = 28.584(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.2371e-01 1.H171 H = 7.946(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.6548e-01 1.H171 N = 117.021(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0461e-01 1.L172 C = 176.969(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9154e-01 1.L172 CA = 55.936(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8206e-01 1.L172 CB = 42.855(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.7190e-01 1.L172 H = 7.794(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.0237e-01 1.L172 N = 117.919(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1225e-01 1.A173 C = 176.778(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5153e-01 1.A173 CA = 52.364(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.9512e-01 1.A173 CB = 19.582(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5461e-01 1.A173 H = 7.713(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1698e-01 1.A173 N = 120.551(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4918e-01 1.Q174 C = 171.783(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0258e-02 1.Q174 CA = 53.016(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.6764e-02 1.Q174 H = 7.753(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.2864e-01 1.Q174 N = 118.903(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.8396e-01