Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.18 K 0.18 C 0.17 R 0.08 H 0.08 E 0.02 C Shift Assignments>> CA :: 54.93(D) CB :: 33.18(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.444(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 :: 118.8(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 C Shift Assignments>> CA :: 45.22(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.17 C 0.16 R 0.14 H 0.13 E 0.07 Q 0.07 V 0.01 C Shift Assignments>> CA :: 55.69(D) CB :: 32.15(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.886(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.4(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.R4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.15 C 0.15 R 0.15 H 0.14 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> CA :: 56.1(D) CB :: 31.83(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 :: 8.726(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 :: 124.3(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.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 R 0.22 G 0.2 D 0.11 C 0.04 Y 0.01 K 0.01 C Shift Assignments>> CA :: 53.95(D) CB :: 43.94(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 :: 8.854(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 C 0.28 P 0.12 K 0.06 R 0.03 M 0.03 H 0.02 Q 0.02 E 0.02 C Shift Assignments>> CA :: 61.21(D) CB :: 32.67(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.019(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 :: 125(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.24 D 0.18 K 0.09 C 0.04 Y 0.03 G 0.03 N 0.01 C Shift Assignments>> CA :: 54.37(D) CB :: 42.98(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 :: 8.95(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 C 0.25 N 0.1 E 0.09 I 0.08 D 0.06 L 0.03 M 0.02 C Shift Assignments>> CA :: 56.71(D) CB :: 38.2(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.324(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 :: 121.6(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 E 0.16 M 0.14 Q 0.14 K 0.13 V 0.04 Y 0.03 I 0.02 H 0.01 R 0.01 C Shift Assignments>> CA :: 58.01(D) CB :: 34.9(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.033(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 :: 117(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> CA :: 51(D) CB :: 19.2(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.177(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.18 R 0.06 C 0.04 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.8(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.993(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.16 C 0.15 R 0.15 H 0.14 E 0.08 Q 0.06 HN Overlap>> 1.N84 1.N84 C Shift Assignments>> CA :: 55.39(D) CB :: 31.92(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 :: 8.05(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.1(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 58.53(D) CB :: 69.88(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.079(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 :: 115.2(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.33 T 0.21 S 0.17 I 0.14 P 0.09 C 0.03 C Shift Assignments>> CA :: 66.24(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.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 K 0.16 V 0.13 M 0.1 R 0.09 H 0.07 Q 0.07 E 0.06 C Shift Assignments>> CA :: 59.15(D) CB :: 32.57(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.058(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 :: 115.2(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.26 T 0.25 I 0.21 P 0.14 C 0.05 Y 0.02 S 0.02 C Shift Assignments>> CA :: 62.38(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.834(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 :: 121.8(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.3 Y 0.19 L 0.17 C 0.11 R 0.08 D 0.07 I 0.04 C Shift Assignments>> CA :: 58.14(D) CB :: 41.73(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 :: 8.597(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 :: 125.4(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 A 0.42 I 0.02 C 0.02 C Shift Assignments>> CA :: 54.85(D) CB :: 18.01(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.631(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(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.46 A 0.46 C 0.03 I 0.03 C Shift Assignments>> CA :: 55.05(D) CB :: 18.46(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.964(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.16 V 0.02 Y 0.02 C Shift Assignments>> CA :: 65.5(D) CB :: 37.73(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.46(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(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.21 P 0.12 C 0.06 Y 0.02 S 0.02 C Shift Assignments>> CA :: 62.22(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.084(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(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 C 0.23 N 0.17 D 0.08 E 0.08 I 0.05 L 0.03 M 0.03 C Shift Assignments>> CA :: 56.11(D) CB :: 38.17(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.208(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 Y 0.22 L 0.15 C 0.12 R 0.06 I 0.06 D 0.06 C Shift Assignments>> CA :: 58.44(D) CB :: 41.63(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 :: 8.659(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 :: 121.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 I 0.16 V 0.11 E 0.1 R 0.08 H 0.07 K 0.05 Q 0.05 P 0.03 M 0.01 C Shift Assignments>> CA :: 60.84(D) CB :: 29.98(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 :: 8.429(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 :: 117.9(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.R25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 E 0.15 R 0.11 H 0.11 I 0.1 K 0.1 Q 0.09 V 0.04 M 0.02 C Shift Assignments>> CA :: 59.66(D) CB :: 29.75(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.846(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120(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.I26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.79 C 0.15 Y 0.04 V 0.01 C Shift Assignments>> CA :: 64.85(D) CB :: 38.25(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.556(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(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.49 I 0.4 C 0.09 C Shift Assignments>> CA :: 65.26(D) CB :: 26.45(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.174(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 :: 118.1(D) Ave N Shift Values>> N :: 120.17(4.64) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 E 0.17 R 0.15 H 0.14 Q 0.11 K 0.07 M 0.05 I 0.04 V 0.03 C Shift Assignments>> CA :: 58.78(D) CB :: 30.28(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 :: 7.912(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 :: 117.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 E 0.16 R 0.16 H 0.14 Q 0.1 K 0.08 M 0.07 V 0.03 I 0.01 C Shift Assignments>> CA :: 58.18(D) CB :: 30.77(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 :: 8.545(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(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.2 N 0.17 Y 0.12 C 0.08 K 0.04 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> CA :: 54.74(D) CB :: 40.41(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.265(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.9(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.25 R 0.17 G 0.07 K 0.05 C 0.04 N 0.03 Y 0.02 C Shift Assignments>> CA :: 52.51(D) CB :: 42.93(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 :: 7.712(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 :: 121.2(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.37 C 0.12 I 0.04 C Shift Assignments>> CA :: 64.46(D) CB :: 31.14(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.G33 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>> CA :: 45.67(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.979(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 E 0.17 R 0.16 H 0.14 Q 0.11 K 0.07 M 0.06 V 0.03 I 0.02 C Shift Assignments>> CA :: 58.36(D) CB :: 30.53(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 :: 8.068(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 :: 119.2(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.27 L 0.23 K 0.21 Y 0.09 C 0.07 D 0.07 G 0.01 I 0.01 C Shift Assignments>> CA :: 57.45(D) CB :: 42.66(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.096(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.16 K 0.15 R 0.15 H 0.14 E 0.07 Q 0.06 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> CA :: 54.83(D) CB :: 32(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 :: 8.478(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 C 0.27 P 0.14 K 0.03 Q 0.02 I 0.01 M 0.01 R 0.01 C Shift Assignments>> CA :: 61.96(D) CB :: 33.4(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 :: 8.876(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.8(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 Q 0.21 C 0.17 K 0.17 H 0.07 R 0.07 E 0.01 C Shift Assignments>> CA :: 54.61(D) CB :: 33.44(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.148(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 :: 131.1(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 C 0.32 K 0.07 P 0.05 Q 0.04 M 0.03 R 0.02 I 0.02 H 0.01 E 0.01 C Shift Assignments>> CA :: 61.12(D) CB :: 33.57(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 :: 8.557(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.4(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 Y 0.34 C 0.22 E 0.01 L 0.01 C Shift Assignments>> CA :: 60.08(D) CB :: 38.96(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.146(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 :: 130.9(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.4 L 0.21 N 0.2 K 0.06 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> CA :: 52.41(D) CB :: 41.24(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 :: 8.669(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.9(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 R 0.21 K 0.21 D 0.13 Y 0.07 C 0.06 C Shift Assignments>> CA :: 56.29(D) CB :: 42.5(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 :: 9.524(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.7(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 R 0.14 K 0.14 M 0.12 H 0.12 E 0.12 Q 0.06 V 0.06 C Shift Assignments>> C :: 178.288 CA :: 58.31(D) CB :: 31.65(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.821 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 :: 118.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.17 R 0.15 E 0.14 C 0.13 K 0.12 M 0.06 C Shift Assignments>> C :: 176.171 CA :: 55.73(D) CB :: 29.76(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.571(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 :: 116.2(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.54 D 0.27 C 0.07 L 0.07 Y 0.03 C Shift Assignments>> CA :: 51.22(D) CB :: 39.81(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.824(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.9(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.43 C 0.1 I 0.01 C Shift Assignments>> CA :: 64.49 CB :: 32.03 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.R47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 H 0.15 C 0.15 Q 0.15 R 0.14 K 0.12 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 178.248 CA :: 57.54(D) CB :: 29.78(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 :: 8.32 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 :: 118.3 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.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.22 K 0.22 R 0.1 Y 0.07 C 0.05 N 0.02 C Shift Assignments>> C :: 177.49 CA :: 55.3(D) CB :: 42.02(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 :: 7.696(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 178.129 CA :: 53.42(D) CB :: 19.04(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.851(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 M 0.19 C 0.17 Q 0.13 R 0.1 H 0.09 E 0.05 V 0.02 C Shift Assignments>> CA :: 56.58(D) CB :: 32.76(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 :: 7.919(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 :: 118.4(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 E 0.16 R 0.15 Q 0.15 C 0.14 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 177.811 CA :: 56.75(D) CB :: 29.95(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 :: 8.009 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 :: 120.1 Ave N Shift Values>> N :: 120.67(3.48) 1.H52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 E 0.14 C 0.14 Q 0.14 M 0.1 K 0.07 C Shift Assignments>> C :: 173.699 CA :: 55.79(D) CB :: 30.54(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 :: 8.1(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 :: 119.4(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.32(D) CB :: 63.76(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.166(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 :: 116.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.2 Y 0.2 C Shift Assignments>> CA :: 61.65 CB :: 38.57 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 :: 8.246 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 121.46(4.28) 1.V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.44 C 0.26 P 0.16 K 0.03 Q 0.01 R 0.01 M 0.01 H 0.01 I 0.01 C Shift Assignments>> C :: 175.42 CA :: 61.87(D) CB :: 33.1 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 :: 8.03 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 :: 123.1 Ave N Shift Values>> N :: 121.14(4.54) 1.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> CA :: 52.17(D) CB :: 19.38(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.422(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.29 V 0.14 Y 0.05 E 0.01 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> CA :: 63.31 CB :: 36.35 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 :: 8.479 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.5 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>> P 0.43 V 0.34 C 0.15 I 0.03 C Shift Assignments>> C :: 176.446 CA :: 63.185 CB :: 31.44(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.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.389 CA :: 64.98(D) CB :: 68.78(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 :: 7.659(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.4(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.23 R 0.2 Y 0.1 D 0.09 C 0.07 I 0.01 C Shift Assignments>> C :: 173.993 CA :: 57.13(D) CB :: 42.38(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 :: 7.878(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 :: 122.1(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.46 V 0.38 C 0.11 I 0.02 C Shift Assignments>> C :: 175.477 CA :: 63.97(D) CB :: 31.7(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 :: 7.773(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 :: 113.3(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 E 0.17 R 0.15 H 0.14 Q 0.12 K 0.09 M 0.05 I 0.03 V 0.02 C Shift Assignments>> CA :: 58.41(D) CB :: 30.09(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.299(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 :: 117.5(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.E63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.16 R 0.16 E 0.15 C 0.13 K 0.1 M 0.07 C Shift Assignments>> CA :: 55.9(D) CB :: 29.98(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 :: 7.84(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 :: 115.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.39 N 0.21 L 0.2 K 0.05 C 0.05 Y 0.05 C Shift Assignments>> CA :: 52.97(D) CB :: 40.97(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 :: 7.622(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 :: 120.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.49 P 0.27 C 0.19 K 0.01 I 0.01 C Shift Assignments>> CA :: 62.95 CB :: 33.14 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.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 I 0.21 C 0.13 P 0.01 C Shift Assignments>> CA :: 68.71 CB :: 30.11 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 :: 8.95 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.3 Ave N Shift Values>> N :: 121.14(4.54) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.55 P 0.32 C 0.09 I 0.01 C Shift Assignments>> CA :: 65.83 CB :: 31.79 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.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.19 Y 0.08 V 0.01 C Shift Assignments>> CA :: 63.45 CB :: 37.93 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.95 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 :: 111.4 Ave N Shift Values>> N :: 121.46(4.28) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.15 E 0.11 R 0.1 H 0.08 I 0.07 Q 0.05 K 0.05 P 0.03 M 0.03 C Shift Assignments>> CA :: 60.48 CB :: 30.64 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 :: 7.997 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.5 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.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.15 K 0.15 R 0.1 M 0.09 H 0.08 E 0.07 Q 0.05 C Shift Assignments>> CA :: 59.36(D) CB :: 32.3(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.263 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.79 C 0.15 Y 0.04 C Shift Assignments>> CA :: 64.63(D) CB :: 38.42(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.042(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(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 C 0.26 V 0.2 Y 0.02 C Shift Assignments>> C :: 176.494 CA :: 64.34(D) CB :: 36.2(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.924(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 171.847 CA :: 47.36(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.264(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.38 C 0.18 D 0.13 L 0.12 I 0.1 N 0.03 K 0.02 C Shift Assignments>> CA :: 57.48(D) CB :: 39.97(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 :: 8.219(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 L 0.24 C 0.08 K 0.07 Y 0.07 G 0.06 D 0.04 C Shift Assignments>> C :: 177.672 CA :: 57.62(D) CB :: 43.39(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 :: 8.333(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.91(D) CB :: 63.89(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.167(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.4(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 L 0.25 D 0.15 Y 0.11 R 0.09 C 0.07 N 0.01 I 0.01 C Shift Assignments>> C :: 175.545 CA :: 56.5(D) CB :: 41.87(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 :: 8.698 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 :: 119.3 Ave N Shift Values>> N :: 120.65(3.86) 1.K78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 K 0.19 M 0.15 Q 0.11 R 0.1 H 0.08 E 0.05 V 0.05 C Shift Assignments>> C :: 177.473 CA :: 57.86(D) CB :: 32.74(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 :: 7.894(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.6(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 R 0.15 E 0.15 C 0.13 K 0.11 M 0.06 I 0.01 HN Overlap>> 1.N30 1.N30 C Shift Assignments>> C :: 178.864 CA :: 56.25(D) CB :: 29.89(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 :: 8.315(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(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 L 0.23 C 0.16 K 0.13 Q 0.08 H 0.05 I 0.04 E 0.03 C Shift Assignments>> CA :: 56.94(D) CB :: 26.35(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 :: 6.959(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 :: 110.3(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 C 0.31 P 0.07 K 0.05 Q 0.03 M 0.02 I 0.02 R 0.01 H 0.01 C Shift Assignments>> CA :: 61.52(D) CB :: 33.64(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 :: 7.613 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 :: 108.6 Ave N Shift Values>> N :: 121.14(4.54) 1.L82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.31 D 0.1 G 0.1 C 0.05 K 0.03 Y 0.03 C Shift Assignments>> C :: 179.533 CA :: 55.1(D) CB :: 43.69(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 :: 7.339(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(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 P 0.27 C 0.09 I 0.02 C Shift Assignments>> C :: 178.301 CA :: 66.213 CB :: 31.643 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 :: 7.973 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.342 Ave N Shift Values>> N :: 121.14(4.54) 1.N84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.4 N 0.27 L 0.17 C 0.05 K 0.04 Y 0.03 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> CA :: 52.09(D) CB :: 40.96(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.002(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.1(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.14 C 0.07 C Shift Assignments>> C :: 178.25 CA :: 54.53(D) CB :: 46.57(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 :: 8.437(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 :: 122.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 C 0.24 N 0.16 M 0.12 Y 0.11 K 0.03 I 0.01 D 0.01 Q 0.01 C Shift Assignments>> C :: 176.744 CA :: 55.1(D) CB :: 36.63(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.212(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 E 0.2 M 0.19 N 0.13 K 0.06 Q 0.06 Y 0.05 C Shift Assignments>> C :: 176.206 CA :: 54.3(D) CB :: 35.83(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.723(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 :: 122.5(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.26 K 0.18 R 0.1 Y 0.05 C 0.05 N 0.04 C Shift Assignments>> C :: 175.587 CA :: 54.49(D) CB :: 42.1(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 :: 8.685(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.9(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.2 K 0.18 C 0.17 R 0.07 H 0.07 E 0.02 V 0.01 C Shift Assignments>> C :: 175.21 CA :: 55.26(D) CB :: 33.3(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.603(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.6(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 R 0.16 E 0.15 H 0.14 K 0.1 M 0.09 Q 0.08 V 0.04 I 0.01 C Shift Assignments>> CA :: 58.14(D) CB :: 31.08(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 :: 8.067(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 :: 126.1(D) Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 9 #Clerical: 81 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 90 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 90 #Suspicious: 0 C Shift Results: #Consistent: 45 #Duplicate: 153 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 13 #Duplicate: 71 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 13 #Duplicate: 71 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 CA = 54.93(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.9670e-01 1.M1 CB = 33.18(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.3240e-01 1.M1 H = 8.444(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.5910e-01 1.M1 N = 118.8(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.1784e-01 1.G2 CA = 45.22(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2271e-01 1.G2 H = 8.22(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6562e-01 1.G2 N = 109.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2383e-01 1.R3 CA = 55.69(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.4012e-01 1.R3 CB = 32.15(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.2816e-01 1.R3 H = 7.886(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6169e-01 1.R3 N = 120.4(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1344e-01 1.R4 CA = 56.1(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7178e-01 1.R4 CB = 31.83(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.3691e-01 1.R4 H = 8.726(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2561e-01 1.R4 N = 124.3(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.4156e-01 1.L5 CA = 53.95(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3302e-01 1.L5 CB = 43.94(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.8593e-01 1.L5 H = 8.854(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3706e-01 1.L5 N = 127.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4108e-01 1.V6 CA = 61.21(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.5448e-01 1.V6 CB = 32.67(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.7326e-01 1.V6 H = 9.019(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.7657e-01 1.V6 N = 125(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.9520e-01 1.L7 CA = 54.37(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5730e-01 1.L7 CB = 42.98(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2155e-01 1.L7 H = 8.95(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6799e-01 1.L7 N = 126.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0527e-01 1.Y8 CA = 56.71(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.7157e-01 1.Y8 CB = 38.2(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.0410e-01 1.Y8 H = 8.324(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.9563e-01 1.Y8 N = 121.6(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.9707e-01 1.V9 CA = 58.01(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1725e-01 1.V9 CB = 34.9(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.2540e-01 1.V9 H = 9.033(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.6745e-01 1.V9 N = 117(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6182e-01 1.A10 CA = 51(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7978e-01 1.A10 CB = 19.2(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1731e-01 1.A10 H = 9.177(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0345e-01 1.A10 N = 125.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6785e-01 1.G11 CA = 44.8(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8148e-01 1.G11 H = 7.993(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.0414e-01 1.G11 N = 108.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4229e-01 1.Q12 CA = 55.39(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.8136e-01 1.Q12 CB = 31.92(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.3361e-01 1.Q12 H = 8.05(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.7324e-01 1.Q12 N = 114.1(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.0776e-01 1.T13 CA = 58.53(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.5424e-01 1.T13 CB = 69.88(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.2668e-01 1.T13 H = 9.079(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.7598e-01 1.T13 N = 115.2(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6306e-01 1.P14 CA = 66.24(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.5560e-02 1.K15 CA = 59.15(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.1731e-01 1.K15 CB = 32.57(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0164e-01 1.K15 H = 8.058(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2587e-01 1.K15 N = 115.2(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2073e-01 1.S16 CA = 62.38(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.7042e-02 1.S16 H = 8.834(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4774e-01 1.S16 N = 121.8(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1684e-01 1.L17 CA = 58.14(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3677e-01 1.L17 CB = 41.73(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5769e-01 1.L17 H = 8.597(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.7234e-01 1.L17 N = 125.4(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6404e-01 1.A18 CA = 54.85(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8779e-01 1.A18 CB = 18.01(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.8476e-01 1.A18 H = 7.631(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.4296e-01 1.A18 N = 122(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2825e-01 1.A19 CA = 55.05(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3472e-01 1.A19 CB = 18.46(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.6376e-01 1.A19 H = 7.964(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9407e-01 1.A19 N = 122.2(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7108e-01 1.I20 CA = 65.5(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4664e-01 1.I20 CB = 37.73(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.5593e-01 1.I20 H = 8.46(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.9124e-01 1.I20 N = 119(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6545e-01 1.S21 CA = 62.22(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.0871e-02 1.S21 H = 8.084(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3974e-01 1.S21 N = 116(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3660e-01 1.N22 CA = 56.11(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.7162e-01 1.N22 CB = 38.17(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.5832e-01 1.N22 H = 8.208(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.3404e-01 1.N22 N = 121(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.0750e-01 1.L23 CA = 58.44(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8552e-01 1.L23 CB = 41.63(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1757e-01 1.L23 H = 8.659(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.0925e-01 1.L23 N = 121.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8773e-01 1.R24 CA = 60.84(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.8085e-02 1.R24 CB = 29.98(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.9399e-01 1.R24 H = 8.429(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5669e-01 1.R24 N = 117.9(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.3067e-01 1.R25 CA = 59.66(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1090e-01 1.R25 CB = 29.75(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.0367e-01 1.R25 H = 7.846(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1834e-01 1.R25 N = 120(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.2790e-01 1.I26 CA = 64.85(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.2668e-01 1.I26 CB = 38.25(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.5078e-01 1.I26 H = 8.556(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8483e-01 1.I26 N = 120(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3301e-01 1.C27 CA = 65.26(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.6610e-02 1.C27 CB = 26.45(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.1490e-01 1.C27 H = 8.174(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.4716e-01 1.C27 N = 118.1(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.5551e-01 1.E28 CA = 58.78(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.8482e-01 1.E28 CB = 30.28(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7526e-01 1.E28 H = 7.912(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.7865e-01 1.E28 N = 117.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.1870e-01 1.E29 CA = 58.18(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8072e-01 1.E29 CB = 30.77(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5859e-01 1.E29 H = 8.545(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.1555e-01 1.E29 N = 115(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0325e-01 1.N30 CA = 54.74(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.2328e-01 1.N30 CB = 40.41(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.0880e-01 1.N30 H = 8.265(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.0524e-01 1.N30 N = 114.9(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.1731e-01 1.L31 CA = 52.51(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4426e-01 1.L31 CB = 42.93(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4156e-01 1.L31 H = 7.712(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2550e-01 1.L31 N = 121.2(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6562e-01 1.P32 CA = 64.46(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.5723e-01 1.P32 CB = 31.14(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.4738e-01 1.G33 CA = 45.67(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1126e-01 1.G33 H = 8.979(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.1806e-01 1.G33 N = 111.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7362e-01 1.Q34 CA = 58.36(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0290e-01 1.Q34 CB = 30.53(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.6157e-01 1.Q34 H = 8.068(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9669e-01 1.Q34 N = 119.2(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4800e-01 1.Y35 CA = 57.45(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.8646e-01 1.Y35 CB = 42.66(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.2203e-01 1.Y35 H = 9.096(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.8778e-01 1.Y35 N = 118(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.4851e-01 1.E36 CA = 54.83(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3350e-01 1.E36 CB = 32(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.4728e-01 1.E36 H = 8.478(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0193e-01 1.E36 N = 122.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7917e-01 1.V37 CA = 61.96(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.5298e-01 1.V37 CB = 33.4(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0818e-01 1.V37 H = 8.876(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.8178e-01 1.V37 N = 124.8(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2015e-01 1.E38 CA = 54.61(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9475e-01 1.E38 CB = 33.44(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6132e-02 1.E38 H = 9.148(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.6561e-01 1.E38 N = 131.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.7254e-03 1.V39 CA = 61.12(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.3192e-01 1.V39 CB = 33.57(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.3887e-01 1.V39 H = 8.557(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9026e-01 1.V39 N = 124.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7272e-01 1.I40 CA = 60.08(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.6807e-01 1.I40 CB = 38.96(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.7023e-01 1.I40 H = 9.146(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0283e-01 1.I40 N = 130.9(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7412e-02 1.D41 CA = 52.41(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6137e-01 1.D41 CB = 41.24(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2414e-01 1.D41 H = 8.669(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.3594e-01 1.D41 N = 126.9(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.0541e-01 1.L42 CA = 56.29(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5310e-01 1.L42 CB = 42.5(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1950e-01 1.L42 H = 9.524(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6506e-02 1.L42 N = 127.7(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3428e-01 1.K43 CA = 58.31(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.3646e-01 1.K43 CB = 31.65(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.2188e-01 1.Q44 CA = 55.73(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.9467e-01 1.Q44 CB = 29.76(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.5414e-01 1.Q44 H = 7.571(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.7133e-01 1.Q44 N = 116.2(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0536e-01 1.N45 CA = 51.22(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.1719e-01 1.N45 CB = 39.81(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.0751e-01 1.N45 H = 7.824(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.1276e-01 1.N45 N = 116.9(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.1446e-01 1.R47 CA = 57.54(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3888e-01 1.R47 CB = 29.78(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.1515e-01 1.L48 CA = 55.3(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8058e-01 1.L48 CB = 42.02(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7741e-01 1.L48 H = 7.696(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1134e-01 1.L48 N = 119.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6226e-01 1.A49 CA = 53.42(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8754e-01 1.A49 CB = 19.04(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.8692e-01 1.A49 H = 7.851(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6079e-01 1.A49 N = 122.3(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9277e-01 1.K50 CA = 56.58(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.6644e-01 1.K50 CB = 32.76(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8655e-01 1.K50 H = 7.919(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5151e-01 1.K50 N = 118.4(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.8211e-01 1.E51 CA = 56.75(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8506e-01 1.E51 CB = 29.95(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7217e-01 1.H52 CA = 55.79(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.5199e-01 1.H52 CB = 30.54(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.8477e-01 1.H52 H = 8.1(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.3688e-01 1.H52 N = 119.4(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.4220e-01 1.S53 CA = 58.32(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.4677e-01 1.S53 CB = 63.76(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7844e-01 1.S53 H = 8.166(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4679e-01 1.S53 N = 116.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0502e-01 1.V55 CA = 61.87(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2838e-01 1.A56 CA = 52.17(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.2421e-01 1.A56 CB = 19.38(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.3977e-01 1.A56 H = 8.422(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1138e-01 1.A56 N = 128(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.7783e-01 1.P58 CB = 31.44(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.2825e-01 1.T59 CA = 64.98(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8659e-01 1.T59 CB = 68.78(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.6001e-01 1.T59 H = 7.659(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.4871e-01 1.T59 N = 112.4(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2491e-01 1.L60 CA = 57.13(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7837e-01 1.L60 CB = 42.38(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7030e-01 1.L60 H = 7.878(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8814e-01 1.L60 N = 122.1(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5093e-01 1.V61 CA = 63.97(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.0482e-01 1.V61 CB = 31.7(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6501e-01 1.V61 H = 7.773(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.4033e-01 1.V61 N = 113.3(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4191e-02 1.R62 CA = 58.41(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.7773e-01 1.R62 CB = 30.09(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.3888e-01 1.R62 H = 7.299(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.2292e-01 1.R62 N = 117.5(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.6986e-01 1.E63 CA = 55.9(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9687e-01 1.E63 CB = 29.98(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.8608e-01 1.E63 H = 7.84(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.0625e-01 1.E63 N = 115.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1599e-01 1.L64 CA = 52.97(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1345e-01 1.L64 CB = 40.97(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.7599e-01 1.L64 H = 7.622(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4959e-01 1.L64 N = 120.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4664e-01 1.K70 CA = 59.36(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7332e-01 1.K70 CB = 32.3(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8310e-01 1.I71 CA = 64.63(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5980e-01 1.I71 CB = 38.42(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.1720e-01 1.I71 H = 7.042(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8670e-02 1.I71 N = 119(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6545e-01 1.I72 CA = 64.34(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.0837e-01 1.I72 CB = 36.2(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.2899e-01 1.I72 H = 7.924(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0061e-01 1.I72 N = 118.7(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.1902e-01 1.G73 CA = 47.36(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3361e-01 1.G73 H = 8.264(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1912e-01 1.G73 N = 107.6(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9273e-01 1.D74 CA = 57.48(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6932e-01 1.D74 CB = 39.97(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.7430e-01 1.D74 H = 8.219(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.7533e-01 1.D74 N = 123(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.4265e-01 1.L75 CA = 57.62(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4775e-01 1.L75 CB = 43.39(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.6565e-01 1.L75 H = 8.333(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7409e-01 1.L75 N = 119.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1527e-01 1.S76 CA = 59.91(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6537e-01 1.S76 CB = 63.89(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.5151e-01 1.S76 H = 8.167(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4811e-01 1.S76 N = 113.4(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.1325e-01 1.D77 CA = 56.5(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.7259e-01 1.D77 CB = 41.87(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.4113e-01 1.K78 CA = 57.86(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.7914e-01 1.K78 CB = 32.74(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7759e-01 1.K78 H = 7.894(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2178e-01 1.K78 N = 117.6(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.6013e-01 1.E79 CA = 56.25(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0868e-01 1.E79 CB = 29.89(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.4438e-01 1.E79 H = 8.315(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7972e-01 1.E79 N = 115(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0325e-01 1.Q80 CA = 56.94(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q80 CB = 26.35(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.1866e-01 1.Q80 H = 6.959(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.2575e-02 1.Q80 N = 110.3(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7243e-03 1.V81 CA = 61.52(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.3449e-01 1.V81 CB = 33.64(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.1119e-01 1.L82 CA = 55.1(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0713e-01 1.L82 CB = 43.69(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.6292e-01 1.L82 H = 7.339(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.7045e-01 1.L82 N = 122(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7136e-01 1.N84 CA = 52.09(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.4054e-01 1.N84 CB = 40.96(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.7921e-01 1.N84 H = 8.002(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.9161e-01 1.N84 N = 114.1(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.3072e-01 1.L85 CA = 54.53(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.0883e-01 1.L85 CB = 46.57(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3454e-02 1.L85 H = 8.437(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5013e-01 1.L85 N = 122.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8973e-01 1.K86 CA = 55.1(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.0040e-01 1.K86 CB = 36.63(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.0982e-02 1.K86 H = 9.212(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8506e-02 1.K86 N = 123.4(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3306e-01 1.M87 CA = 54.3(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.1699e-01 1.M87 CB = 35.83(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.0485e-01 1.M87 H = 8.723(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.4031e-01 1.M87 N = 122.5(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.9963e-01 1.D88 CA = 54.49(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2152e-01 1.D88 CB = 42.1(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.5140e-01 1.D88 H = 8.685(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.1792e-01 1.D88 N = 123.9(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.9981e-01 1.M89 CA = 55.26(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.0308e-01 1.M89 CB = 33.3(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.8993e-01 1.M89 H = 8.603(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.6755e-01 1.M89 N = 120.6(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.8640e-01 1.E90 CA = 58.14(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9480e-01 1.E90 CB = 31.08(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.3388e-01 1.E90 H = 8.067(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5577e-01 1.E90 N = 126.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1868e-01