A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.85 M 0.12 C 0.02 C Shift Assignments>> C :: 173.4 CA :: 51.2 CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.00 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) A2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 177.5 CA :: 52.5 CB :: 18.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.55(D) HA :: 4.24 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 123.23(3.7) E3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 R 0.13 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.09 M 0.06 I 0.01 C Shift Assignments>> C :: 176.5 CA :: 56.5 CB :: 30.1 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.52(D) HA :: 4.22 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.8(D) Ave N Shift Values>> N :: 120.68(3.68) S4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.9 CA :: 58.4 CB :: 63.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.35(D) HA :: 4.35 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.9(D) Ave N Shift Values>> N :: 116.3(3.95) G5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.9 CA :: 45.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.39(D) HA2 :: 3.90 HA3 :: 3.90 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.9(D) Ave N Shift Values>> N :: 109.91(4.29) V6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.4 P 0.23 C 0.16 W 0.05 I 0.03 K 0.02 R 0.02 M 0.01 Q 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.1 CA :: 62.0 CB :: 32.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.86(D) HA :: 4.08 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.9(D) Ave N Shift Values>> N :: 121.02(4.96) S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.8 CA :: 58.1 CB :: 63.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.33(D) HA :: 4.36 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 116.3(3.95) R8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 A 0.17 D 0.15 L 0.08 M 0.06 C 0.06 H 0.05 Q 0.03 R 0.03 K 0.03 W 0.02 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 174.1 CA :: 53.7 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.24(D) HA :: 4.55 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.1(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.37 P 0.36 C 0.1 I 0.05 W 0.04 R 0.01 K 0.01 E 0.01 C Shift Assignments>> C :: 176.5 CA :: 62.8 CB :: 32.1 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.35 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 I 0.11 S 0.1 Y 0.09 C 0.09 W 0.08 T 0.08 V 0.08 E 0.05 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 174.6 CA :: 59.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.22(D) HA :: 4.25 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 121.02(4.96) P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.39 V 0.38 C 0.09 I 0.05 W 0.03 R 0.01 C Shift Assignments>> C :: 176.6 CA :: 63.1 CB :: 32.2 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.27 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) Q12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.14 R 0.12 W 0.12 C 0.11 E 0.11 K 0.11 M 0.05 I 0.01 L 0.01 HN Overlap>> L31 Q118 C Shift Assignments>> C :: 176.0 CA :: 55.6 CB :: 29.7 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.38(D) HA :: 4.19 HE21 :: 7.48 HE22 :: 6.84 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.9(D) NE2 :: 112.7 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.17 K 0.16 R 0.14 C 0.1 F 0.06 Y 0.05 N 0.02 C Shift Assignments>> C :: 177.0 CA :: 54.9 CB :: 42.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.18(D) HA :: 4.20 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.6(D) Ave N Shift Values>> N :: 121.98(4.07) K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 M 0.17 C 0.17 Q 0.11 R 0.09 W 0.08 H 0.07 E 0.06 V 0.02 C Shift Assignments>> C :: 177.0 CA :: 56.6 CB :: 32.7 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.18(D) HA :: 4.13 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 R 0.14 H 0.13 C 0.12 Q 0.12 K 0.08 M 0.06 I 0.02 V 0.01 HN Overlap>> L38 C Shift Assignments>> C :: 176.2 CA :: 57.1 CB :: 30.2 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.49(D) HA :: 4.17(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.6 CA :: 61.1 CB :: 70.2 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.48 HA :: 4.33 HG2 :: 1.10 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.5(D) Ave N Shift Values>> N :: 115.7(5.05) T17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> L145 C Shift Assignments>> C :: 175.1 CA :: 66.9 CB :: 69.0 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.28(D) HA :: 3.68(D) HB :: 4.49 HG2 :: 1.21 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.2(D) Ave N Shift Values>> N :: 115.7(5.05) M18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.15 W 0.11 C 0.11 E 0.11 R 0.09 M 0.03 L 0.03 I 0.01 C Shift Assignments>> C :: 178.3 CA :: 55.8 CB :: 29.0 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.27(D) HA :: 4.19(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.1(D) Ave N Shift Values>> N :: 120.1(3.88) R19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.16 I 0.13 E 0.11 R 0.09 V 0.09 H 0.07 Q 0.05 K 0.04 P 0.02 M 0.02 C Shift Assignments>> C :: 178.5 CA :: 60.3 CB :: 30.2 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.51(D) HA :: 3.76(D) HB2 :: 2.02 HB3 :: 1.84 HG2 :: 1.54 HG3 :: 1.54 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.94 C 0.05 HN Overlap>> L116 C Shift Assignments>> C :: 177.4 CA :: 65.5(D) CB :: 39.0(D) CG1 :: 29.3 CG2 :: 17.7 CD1 :: 13.3 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.97(D) HA :: 3.66(D) HB :: 2.03 HG2 :: 0.81 HG12 :: 0.97 HG13 :: 1.76 HD1 :: 0.76 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.3(D) Ave N Shift Values>> N :: 121.6(4.72) L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 C 0.32 K 0.29 R 0.02 HN Overlap>> K147 C Shift Assignments>> C :: 178.6 CA :: 58.6(D) CB :: 41.7(D) CD1 :: 26.4 CD2 :: 25.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.72(D) HA :: 3.86(D) HB2 :: 1.37 HB3 :: 0.64 HG :: 1.39 HD1 :: 0.21 HD2 :: 0.15 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.9(D) Ave N Shift Values>> N :: 121.98(4.07) I22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.5 CA :: 66.3(D) CB :: 38.5(D) CG1 :: 31.8 CG2 :: 18.2 CD1 :: 13.3 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.23(D) HA :: 3.55(D) HB :: 1.69 HG2 :: 0.69 HG12 :: 1.98 HG13 :: 0.75 HD1 :: 0.85 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.5(D) Ave N Shift Values>> N :: 121.6(4.72) G23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.34 C 0.22 G 0.22 A 0.11 N 0.04 D 0.01 C Shift Assignments>> C :: 175.2 CA :: 48.3(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.63(D) HA2 :: 3.50(D) HA3 :: 3.65(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.4(D) Ave N Shift Values>> N :: 109.91(4.29) L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 K 0.28 L 0.25 R 0.06 G 0.05 C Shift Assignments>> C :: 179.0 CA :: 57.9(D) CB :: 43.0(D) CD1 :: 27.4 CD2 :: 24.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.77(D) HA :: 3.80(D) HB2 :: 2.36 HB3 :: 1.15 HG :: 1.97 HD1 :: 0.99 HD2 :: 0.92 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.98(4.07) L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 C 0.33 K 0.14 L 0.11 G 0.01 C Shift Assignments>> C :: 177.0 CA :: 57.2(D) CB :: 42.4(D) CG :: 29.3 CD1 :: 26.9 CD2 :: 25.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.95(D) HA :: 3.86(D) HB2 :: 1.75 HB3 :: 2.12 HG :: 0.76 HD1 :: 1.50 HD2 :: 0.89 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.3(D) Ave N Shift Values>> N :: 121.98(4.07) V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.84 C 0.15 HN Overlap>> S87 C Shift Assignments>> C :: 177.5 CA :: 65.2(D) CB :: 31.8(D) CG1 :: 24.0 CG2 :: 22.1 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.25(D) HA :: 3.47(D) HB :: 2.13 HG1 :: 0.92 HG2 :: 1.02 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.4(D) Ave N Shift Values>> N :: 121.02(4.96) Q27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.12 Q 0.12 H 0.11 K 0.11 R 0.11 I 0.05 M 0.03 V 0.01 HN Overlap>> Y74 C Shift Assignments>> C :: 175.5 CA :: 58.2 CB :: 29.5 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.52(D) HA :: 3.93(D) HB2 :: 2.22 HB3 :: 1.84 HG2 :: 2.79 HG3 :: 2.43 HE21 :: 7.29(D) HE22 :: 6.73(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.8(D) NE2 :: 110.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.22 C 0.15 L 0.03 Y 0.03 F 0.03 C Shift Assignments>> C :: 170.5 CA :: 50.9 CB :: 39.5 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.60(D) HA :: 4.89(D) HB2 :: 2.95 HB3 :: 2.27 HD21 :: 7.53 HD22 :: 6.86 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.8(D) ND2 :: 112.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 G 0.01 C Shift Assignments>> C :: 178.2 CA :: 65.4(D) CB :: 32.8(D) CG :: 26.9 CD :: 49.2 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.40(D) HB2 :: 2.43 HB3 :: 1.97 HG2 :: 1.89 HG3 :: 1.78 HD2 :: 3.58 HD3 :: 3.52 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.2 C 0.16 R 0.14 H 0.12 Q 0.11 K 0.1 W 0.06 E 0.03 P 0.02 M 0.01 C Shift Assignments>> C :: 178.3 CA :: 52.8 CB :: 27.8(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.19(D) HA :: 4.12(D) HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.38 HG3 :: 2.06 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.2(D) Ave N Shift Values>> N :: 120.68(3.68) L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.6 L 0.26 A 0.11 I 0.01 HN Overlap>> Q12 E39 C Shift Assignments>> C :: 177.3 CA :: 56.1(D) CB :: 39.5(D) CD1 :: 25.9 CD2 :: 21.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.31(D) HA :: 4.12(D) HB2 :: 1.04 HB3 :: 0.34(S) HG :: 1.58 HD1 :: 0.30 HD2 :: 0.59 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.9(D) Ave N Shift Values>> N :: 121.98(4.07) A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 A 0.36 C 0.05 V 0.02 L 0.02 I 0.02 T 0.01 C Shift Assignments>> C :: 179.0 CA :: 55.3(D) CB :: 19.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.54(D) HA :: 3.77(D) HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 123.23(3.7) T33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.0 CA :: 63.8(D) CB :: 68.9(D) CG2 :: 21.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.17(D) HA :: 3.87(D) HB :: 4.34 HG2 :: 1.28 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.6(D) Ave N Shift Values>> N :: 115.7(5.05) L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.52 C 0.25 R 0.13 A 0.05 G 0.03 C Shift Assignments>> C :: 177.0 CA :: 55.0(D) CB :: 42.6(D) CG :: 26.9 CD1 :: 26.4 CD2 :: 22.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.78(D) HA :: 4.26(D) HB2 :: 2.10 HB3 :: 1.76 HG :: 1.70 HD1 :: 1.00 HD2 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.98(4.07) V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 177.4 CA :: 61.3(D) CB :: 32.7 CG1 :: 24.5 CG2 :: 21.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.20(D) HA :: 4.12(D) HB :: 2.27 HG1 :: 1.42 HG2 :: 1.44 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 121.02(4.96) P36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.20 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 1.86 HG3 :: 1.86 HD2 :: 3.61 HD3 :: 3.61 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) P37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.4 CA :: 64.4(D) CB :: 32.5(D) CG :: 27.9 CD :: 49.7 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.20(D) HB2 :: 2.52 HB3 :: 2.52 HG2 :: 2.14 HG3 :: 2.14 HD2 :: 3.52 HD3 :: 3.77 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.29 C 0.17 G 0.17 K 0.03 HN Overlap>> R15 C Shift Assignments>> C :: 178.7 CA :: 53.7 CB :: 43.8(D) CD1 :: 26.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.50(D) HA :: 4.18(D) HB2 :: 1.75 HB3 :: 1.64 HD1 :: 0.81 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 121.98(4.07) E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.32 C 0.32 I 0.12 K 0.11 Q 0.07 M 0.03 HN Overlap>> L31 D111 C Shift Assignments>> C :: 176.3 CA :: 59.1(D) CB :: 29.5(D) CG :: 35.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.31(D) HA :: 3.92(D) HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.28 HG3 :: 2.28 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.8(D) Ave N Shift Values>> N :: 120.68(3.68) N40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 C 0.19 D 0.12 Y 0.09 F 0.06 E 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 174.7 CA :: 53.5(D) CB :: 38.1(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.58(D) HA :: 4.62(D) HB2 :: 2.92 HB3 :: 2.75 HD21 :: 7.50(D) HD22 :: 6.83(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.8(D) ND2 :: 113.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.25 G 0.11 A 0.08 K 0.03 C Shift Assignments>> C :: 176.1 CA :: 54.3(D) CB :: 43.3(D) CD1 :: 26.4 CD2 :: 22.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.17(D) HA :: 4.31(D) HB2 :: 1.70 HB3 :: 1.24 HG :: 1.66 HD1 :: 0.87 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 121.98(4.07) D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.18 N 0.15 C 0.11 K 0.09 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.6 CA :: 53.1(D) CB :: 41.2(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.31(D) HA :: 4.60(D) HB2 :: 2.83 HB3 :: 2.63 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 120.73(4.2) E43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 E 0.2 Q 0.2 K 0.2 I 0.04 M 0.02 R 0.02 C Shift Assignments>> C :: 176.5 CA :: 58.2(D) CB :: 28.9(D) CG :: 34.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.85(D) HA :: 3.93(D) HB2 :: 2.14 HB3 :: 1.96 HG2 :: 2.29 HG3 :: 2.22 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.0(D) Ave N Shift Values>> N :: 120.68(3.68) N44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 C 0.21 Y 0.16 D 0.13 F 0.12 E 0.05 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 176.6 CA :: 54.9(D) CB :: 38.4(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.42(D) HA :: 4.40(D) HB2 :: 2.90 HB3 :: 2.75 HD21 :: 7.90(D) HD22 :: 6.97(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.4(D) ND2 :: 115.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 C 0.19 K 0.17 M 0.17 E 0.06 W 0.05 R 0.04 H 0.04 V 0.03 C Shift Assignments>> C :: 175.6 CA :: 56.9(D) CB :: 33.7(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.51(D) HA :: 4.08(D) HB2 :: 1.83 HB3 :: 1.68 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.56 HD3 :: 1.56 HE2 :: 2.97 HE3 :: 2.97 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.5(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 C 0.05 L 0.05 R 0.01 D 0.01 C Shift Assignments>> C :: 171.6 CA :: 51.3 CB :: 45.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.69(D) HA :: 4.08(D) HB2 :: 1.51 HB3 :: 1.33 HG :: 1.42 HD1 :: 1.10 HD2 :: 0.84 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.9(D) Ave N Shift Values>> N :: 121.98(4.07) P47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.3 CA :: 64.0(D) CB :: 31.4(D) CG :: 28.1 CD :: 50.1 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.32(D) HB2 :: 2.30 HB3 :: 2.30 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.2 CA :: 45.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.50(D) HA2 :: 3.58(D) HA3 :: 4.17(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.6(D) Ave N Shift Values>> N :: 109.91(4.29) L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.43 C 0.33 R 0.18 K 0.01 G 0.01 C Shift Assignments>> C :: 178.0 CA :: 58.2 CB :: 42.2(D) CG :: 27.4 CD1 :: 26.4 CD2 :: 24.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.39(D) HA :: 4.09(D) HB2 :: 2.00 HB3 :: 1.79 HG :: 1.62 HD1 :: 0.91 HD2 :: 1.09 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 121.98(4.07) G50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.3 CA :: 47.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.08(D) HA2 :: 3.57(D) HA3 :: 3.83(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.8(D) Ave N Shift Values>> N :: 109.91(4.29) L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 C 0.4 R 0.04 A 0.02 C Shift Assignments>> C :: 177.4 CA :: 57.3 CB :: 41.1(D) CG :: 26.9 CD1 :: 25.5 CD2 :: 22.1 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.82(D) HA :: 4.17(D) HB2 :: 1.82 HB3 :: 1.50 HD1 :: 0.80 HD2 :: 0.77 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.6(D) Ave N Shift Values>> N :: 121.98(4.07) F52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 F 0.22 Y 0.18 C 0.16 HN Overlap>> A81 C Shift Assignments>> C :: 175.8 CA :: 61.6 CB :: 39.8 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.39(D) HA :: 4.02(D) HB2 :: 3.07 HB3 :: 3.07 HD1 :: 6.95 HD2 :: 6.95 HE1 :: 7.12 HE2 :: 7.12 HZ :: 7.10 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.9(D) Ave N Shift Values>> N :: 120.69(4.18) R53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 G 0.3 R 0.25 K 0.01 C Shift Assignments>> C :: 177.6 CA :: 59.7(D) CB :: 31.0(D) CD :: 44.4 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.76(D) HA :: 3.51(D) HB2 :: 2.13 HB3 :: 1.67 HG2 :: 1.77 HG3 :: 1.61 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.9(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 E 0.31 I 0.24 K 0.06 Q 0.02 M 0.02 HN Overlap>> L83 C Shift Assignments>> C :: 179.0 CA :: 60.1 CB :: 29.6(D) CG :: 36.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.75(D) HA :: 4.00(D) HB2 :: 2.36 HB3 :: 2.29 HG2 :: 2.45 HG3 :: 2.45 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 120.68(3.68) L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 K 0.23 L 0.18 G 0.1 R 0.05 HN Overlap>> V56 Q118 C Shift Assignments>> C :: 179.2 CA :: 59.5 CB :: 43.2(D) CD1 :: 27.4 CD2 :: 24.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.45(D) HA :: 3.90(D) HB2 :: 1.94 HB3 :: 1.29 HG :: 1.78 HD1 :: 0.77 HD2 :: 0.64 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.0(D) Ave N Shift Values>> N :: 121.98(4.07) V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.85 C 0.14 HN Overlap>> L55 C Shift Assignments>> C :: 177.4 CA :: 67.6 CB :: 31.5(D) CG1 :: 25.0 CG2 :: 21.1 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.47(D) HA :: 3.96(D) HB :: 1.89 HG1 :: 0.82 HG2 :: 0.29 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 121.02(4.96) N57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 Y 0.21 F 0.14 E 0.13 N 0.08 I 0.05 D 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 178.9 CA :: 56.4(D) CB :: 37.8(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.96(D) HA :: 4.25(D) HB2 :: 2.92 HB3 :: 2.80 HD21 :: 7.49(D) HD22 :: 6.85(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.8(D) ND2 :: 111.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 C 0.01 HN Overlap>> L138 C Shift Assignments>> C :: 176.2 CA :: 67.0(D) CB :: 68.3(D) CG2 :: 21.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.43(D) HA :: 3.68(D) HB :: 4.02 HG2 :: 0.81 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.2(D) Ave N Shift Values>> N :: 115.7(5.05) C59 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> P 0.49 I 0.39 C 0.06 W 0.01 R 0.01 V 0.01 C Shift Assignments>> C :: 177.4 CA :: 63.6(D) CB :: 27.4(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.19(D) HA :: 3.98(D) HB2 :: 3.00 HB3 :: 2.73 HG :: 2.82(M) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 119.95(4.79) L60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.4 A 0.06 K 0.01 HN Overlap>> E119 C Shift Assignments>> C :: 179.0 CA :: 56.6(D) CB :: 41.7(D) CD1 :: 25.5 CD2 :: 21.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.29(D) HA :: 3.94(D) HB2 :: 1.80 HB3 :: 1.43 HG :: 1.82 HD1 :: 0.77 HD2 :: 0.69 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.5(D) Ave N Shift Values>> N :: 121.98(4.07) S61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.8 CA :: 60.2(D) CB :: 63.8(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.53(D) HA :: 4.22(D) HB2 :: 4.04 HB3 :: 3.98 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.7(D) Ave N Shift Values>> N :: 116.3(3.95) Q62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.26 N 0.23 D 0.13 L 0.06 C 0.05 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 170.2(M) CA :: 53.0 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.15(D) HA :: 4.59(D) HB2 :: 2.03 HB3 :: 1.87 HG2 :: 2.26 HG3 :: 2.26 HE21 :: 7.39(D) HE22 :: 6.65(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.3(D) NE2 :: 111.0 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.7(D) CB :: 31.7 CD :: 49.7 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.31(D) HB2 :: 2.30 HB3 :: 1.86 HG2 :: 2.03 HG3 :: 1.96 HD2 :: 3.54 HD3 :: 3.43 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.8 CA :: 45.3(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.70(D) HA2 :: 3.65(D) HA3 :: 4.02(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.5(D) Ave N Shift Values>> N :: 109.91(4.29) L65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.43 K 0.28 C 0.24 R 0.02 C Shift Assignments>> C :: 176.6 CA :: 56.1(D) CB :: 41.8(D) CD1 :: 26.4 CD2 :: 25.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.94(D) HA :: 4.32(D) HB2 :: 2.00 HB3 :: 1.64 HD1 :: 0.91 HD2 :: 0.81 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 121.98(4.07) T66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.65 C 0.33 A 0.01 C Shift Assignments>> C :: 176.1 CA :: 59.2(D) CB :: 72.3(D) CG2 :: 21.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.82(D) HA :: 4.62(D) HB :: 4.73 HG1 :: 5.62 HG2 :: 1.34 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.6(D) Ave N Shift Values>> N :: 115.7(5.05) T67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.8 CA :: 68.1(D) CB :: 70.2(D) CG2 :: 21.2 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.88(D) HA :: 3.83(D) HB :: 3.94 HG2 :: 1.27 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.7(D) Ave N Shift Values>> N :: 115.7(5.05) G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 177.1 CA :: 47.2(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.63(D) HA2 :: 3.65(D) HA3 :: 3.82(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.2(D) Ave N Shift Values>> N :: 109.91(4.29) Q69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 Q 0.22 K 0.2 E 0.18 M 0.06 I 0.02 R 0.02 C Shift Assignments>> C :: 179.4 CA :: 58.3(D) CB :: 29.5(D) CG :: 34.3 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.70(D) HA :: 4.04(D) HB2 :: 2.44 HB3 :: 2.34 HG2 :: 2.03 HG3 :: 2.03 HE21 :: 7.40 HE22 :: 6.65 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.1(D) NE2 :: 110.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.37 C 0.31 K 0.28 R 0.02 C Shift Assignments>> C :: 178.6 CA :: 58.5(D) CB :: 41.8(D) CD1 :: 26.4 CD2 :: 24.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.57(D) HA :: 3.99(D) HB2 :: 2.18 HB3 :: 1.67 HG :: 1.63 HD1 :: 0.95 HD2 :: 1.05 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.6(D) Ave N Shift Values>> N :: 121.98(4.07) L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 C 0.46 K 0.04 C Shift Assignments>> C :: 181.0 CA :: 58.2(D) CB :: 40.8(D) CD1 :: 25.5 CD2 :: 23.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.48(D) HA :: 3.97(D) HB2 :: 1.92 HB3 :: 1.53 HD1 :: 0.87 HD2 :: 0.74 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.1(D) Ave N Shift Values>> N :: 121.98(4.07) E72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 E 0.3 I 0.13 K 0.12 Q 0.08 M 0.02 C Shift Assignments>> C :: 178.8 CA :: 59.3(D) CB :: 29.2(D) CG :: 35.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.92(D) HA :: 3.98(D) HB2 :: 2.19 HB3 :: 2.08 HG2 :: 2.33 HG3 :: 2.33 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 120.68(3.68) H73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 W 0.13 Q 0.12 C 0.12 R 0.11 E 0.11 H 0.1 I 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 175.2 CA :: 58.3(D) CB :: 28.5(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.71(D) HA :: 4.09(D) HB2 :: 3.29 HB3 :: 3.24 HD2 :: 6.27 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.2(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.27 C 0.19 I 0.16 L 0.03 D 0.02 K 0.01 E 0.01 HN Overlap>> Q27 C Shift Assignments>> C :: 175.6 CA :: 58.9(D) CB :: 39.6(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.49(D) HA :: 4.17(D) HB2 :: 3.04 HB3 :: 2.57 HD1 :: 7.31 HD2 :: 7.31 HE1 :: 6.74 HE2 :: 6.74 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.8(D) Ave N Shift Values>> N :: 120.79(4.69) R75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 E 0.14 C 0.13 R 0.13 H 0.11 Q 0.09 K 0.07 I 0.05 M 0.04 V 0.03 C Shift Assignments>> C :: 177.1 CA :: 58.6(D) CB :: 30.2(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.39(D) HA :: 4.00(D) HB2 :: 1.96 HB3 :: 1.86 HG2 :: 1.75 HG3 :: 1.69 HD2 :: 3.26 HD3 :: 3.23 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.0(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.3 CA :: 45.4(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.07(D) HA2 :: 3.80(D) HA3 :: 4.01(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.1(D) Ave N Shift Values>> N :: 109.91(4.29) T77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.5 CA :: 60.5 CB :: 73.0 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.64(D) HA :: 4.82(D) HB :: 4.66 HG1 :: 5.99 HG2 :: 1.24 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.5(D) Ave N Shift Values>> N :: 115.7(5.05) N78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 N 0.22 Y 0.16 F 0.11 E 0.09 D 0.08 M 0.02 I 0.02 L 0.01 C Shift Assignments>> C :: 175.8 CA :: 55.1 CB :: 37.9 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.17(D) HA :: 4.54(D) HB2 :: 2.92 HB3 :: 2.92 HD21 :: 7.58 HD22 :: 6.90 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.4(D) ND2 :: 112.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 N 0.23 C 0.12 L 0.11 F 0.08 Y 0.08 K 0.03 C Shift Assignments>> C :: 175.0 CA :: 53.7(D) CB :: 40.2(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.79(D) HA :: 4.83(D) HB2 :: 2.55 HB3 :: 2.55 HD21 :: 7.34 HD22 :: 7.23 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.2(D) ND2 :: 115.0 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.17 I 0.09 C 0.05 V 0.03 T 0.01 C Shift Assignments>> C :: 178.9 CA :: 56.6(D) CB :: 18.7(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.39(D) HA :: 3.74(D) HB :: 1.70 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.5(D) Ave N Shift Values>> N :: 123.23(3.7) A81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 HN Overlap>> F52 C Shift Assignments>> C :: 180.7 CA :: 55.2(D) CB :: 17.7(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.37(D) HA :: 4.07(D) HB :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.0(D) Ave N Shift Values>> N :: 123.23(3.7) T82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.7 CA :: 66.0(D) CB :: 69.1(D) CG2 :: 21.4 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.72(D) HA :: 3.72(D) HB :: 4.09 HG2 :: 1.09 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.6(D) Ave N Shift Values>> N :: 115.7(5.05) L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 C 0.37 K 0.13 HN Overlap>> E54 C Shift Assignments>> C :: 178.6 CA :: 57.8(D) CB :: 41.2(D) CD1 :: 25.9 CD2 :: 23.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.74(D) HA :: 3.72(D) HB2 :: 1.78 HB3 :: 1.20 HG :: 1.19 HD1 :: 0.32 HD2 :: 0.57 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 121.98(4.07) E84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 E 0.32 I 0.22 K 0.06 Q 0.02 M 0.02 HN Overlap>> H128 C Shift Assignments>> C :: 180.2 CA :: 59.7(D) CB :: 29.4(D) CG :: 36.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.43(D) HA :: 3.72(D) HB2 :: 2.14 HB3 :: 2.07 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 120.68(3.68) K85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.13 V 0.12 K 0.11 R 0.1 M 0.09 E 0.08 H 0.06 Q 0.03 I 0.02 P 0.01 C Shift Assignments>> C :: 179.8 CA :: 59.3(D) CB :: 32.1(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.71(D) HA :: 3.96(D) HB2 :: 1.91 HB3 :: 1.84 HG2 :: 1.53 HG3 :: 1.41 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.89 HE3 :: 2.89 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 C 0.33 K 0.13 G 0.03 C Shift Assignments>> C :: 179.1 CA :: 57.3(D) CB :: 42.6(D) CD1 :: 26.4 CD2 :: 23.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.93(D) HA :: 3.94(D) HB2 :: 1.83 HB3 :: 1.83 HG :: 1.39 HD1 :: 0.76 HD2 :: 0.64 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.2(D) Ave N Shift Values>> N :: 121.98(4.07) S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> V26 C Shift Assignments>> C :: 173.5 CA :: 61.2(D) CB :: 63.0(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.18(D) HA :: 4.00(D) HB2 :: 4.00 HB3 :: 3.84 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.4(D) Ave N Shift Values>> N :: 116.3(3.95) M88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.19 K 0.17 Q 0.16 H 0.06 R 0.06 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 175.6 CA :: 54.7(D) CB :: 33.2(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.05(D) HA :: 4.56(D) HB2 :: 1.96 HB3 :: 2.29 HG2 :: 2.66 HG3 :: 2.55 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.6(D) Ave N Shift Values>> N :: 120.1(3.88) W89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.15 K 0.14 W 0.11 C 0.11 E 0.11 R 0.1 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 176.1 CA :: 55.7(D) CB :: 29.2(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.15(D) HA :: 4.79(D) HB2 :: 3.41 HB3 :: 3.15 HD1 :: 7.41 HE1 :: 10.01(D) HE3 :: 7.45 HZ2 :: 7.39 HZ3 :: 6.91 HH2 :: 7.00 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.0(D) NE1 :: 128.9 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) D90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.2 L 0.16 F 0.14 C 0.13 K 0.12 Y 0.12 N 0.05 R 0.02 I 0.01 C Shift Assignments>> C :: 177.4 CA :: 55.7(D) CB :: 40.8(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.59(D) HA :: 4.37(D) HB2 :: 2.69 HB3 :: 2.64 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.6(D) Ave N Shift Values>> N :: 120.73(4.2) D91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.23 L 0.15 F 0.13 C 0.13 Y 0.12 N 0.09 K 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 176.2 CA :: 55.3(D) CB :: 40.5(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.39(D) HA :: 4.20(D) HB2 :: 2.32 HB3 :: 1.96 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.9(D) Ave N Shift Values>> N :: 120.73(4.2) I92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.7 CA :: 61.1(D) CB :: 37.9(D) CG1 :: 26.4 CG2 :: 17.2 CD1 :: 14.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.67(D) HA :: 3.93(D) HB :: 1.84 HG2 :: 0.41 HG12 :: 1.09 HG13 :: 0.47 HD1 :: 0.81 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.2(D) Ave N Shift Values>> N :: 121.6(4.72) A93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.24 C 0.04 L 0.03 C Shift Assignments>> C :: 176.8 CA :: 53.1(D) CB :: 20.2(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.36(D) HA :: 4.20(D) HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.2(D) Ave N Shift Values>> N :: 123.23(3.7) D94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 177.3 CA :: 54.0(D) CB :: 40.9(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.70(D) HA :: 4.47(D) HB2 :: 2.79 HB3 :: 2.59 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.8(D) Ave N Shift Values>> N :: 120.73(4.2) K95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 K 0.35 R 0.14 V 0.04 M 0.04 Q 0.02 C Shift Assignments>> C :: 178.4 CA :: 58.6(D) CB :: 32.2(D) CG :: 25.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.70(D) HA :: 3.90(D) HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.61 HG3 :: 1.61 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.08 HE3 :: 3.08 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.0(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 Y 0.2 N 0.15 F 0.15 D 0.1 E 0.06 I 0.03 L 0.03 M 0.01 C Shift Assignments>> C :: 176.7 CA :: 55.7(D) CB :: 38.4(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.53(D) HA :: 4.44(D) HB2 :: 2.81 HB3 :: 2.99 HD21 :: 7.87(D) HD22 :: 6.90(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.5(D) ND2 :: 114.6(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 177.3 CA :: 60.8(D) CB :: 38.7(D) CG1 :: 26.9 CG2 :: 17.7 CD1 :: 13.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.22(D) HA :: 4.60(D) HB :: 2.09 HG2 :: 0.88 HG12 :: 1.35 HG13 :: 1.11 HD1 :: 0.86 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.3(D) Ave N Shift Values>> N :: 121.6(4.72) A98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.22 I 0.07 C 0.04 V 0.02 C Shift Assignments>> C :: 178.4 CA :: 56.2(D) CB :: 18.5(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.51(D) HA :: 3.90(D) HB :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.5(D) Ave N Shift Values>> N :: 123.23(3.7) E99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 C 0.32 E 0.25 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.3 CA :: 60.6(D) CB :: 29.1(D) CG :: 36.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.56(D) HA :: 3.74(D) HB2 :: 2.08 HB3 :: 2.01 HG2 :: 2.19 HG3 :: 2.14 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.5(D) Ave N Shift Values>> N :: 120.68(3.68) Q100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 K 0.25 Q 0.23 R 0.08 E 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 178.0 CA :: 58.7(D) CB :: 28.6(D) CG :: 33.5 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.25(D) HA :: 3.98(D) HB2 :: 2.19 HB3 :: 2.07 HG2 :: 2.42 HG3 :: 2.42 HE21 :: 7.63(D) HE22 :: 6.75(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.7(D) NE2 :: 113.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 C 0.01 HN Overlap>> T140 C Shift Assignments>> C :: 176.7 CA :: 66.5(D) CB :: 68.5(D) CG2 :: 21.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.29(D) HA :: 3.95(D) HB :: 4.20 HG2 :: 1.21 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.1(D) Ave N Shift Values>> N :: 115.7(5.05) F102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 F 0.2 C 0.15 Y 0.13 K 0.01 C Shift Assignments>> C :: 176.5 CA :: 62.7(D) CB :: 40.6(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.88(D) HA :: 3.83(D) HB2 :: 3.33 HB3 :: 3.33 HD1 :: 7.17 HD2 :: 7.17 HE1 :: 7.57 HE2 :: 7.57 HZ :: 7.04 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.4(D) Ave N Shift Values>> N :: 120.69(4.18) T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.0 CA :: 66.8(D) CB :: 68.6(D) CG2 :: 22.0 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.68(D) HA :: 3.76(D) HB :: 4.37 HG2 :: 1.44 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.3(D) Ave N Shift Values>> N :: 115.7(5.05) D104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.17 K 0.15 C 0.15 L 0.12 D 0.08 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 179.2 CA :: 57.6(D) CB :: 40.9(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.28(D) HA :: 4.36(D) HB2 :: 2.89 HB3 :: 2.61 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 120.73(4.2) S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 175.6 CA :: 63.6(D) CB :: 62.8(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.08(D) HA :: 4.11(D) HB2 :: 4.00 HB3 :: 3.61 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.6(D) Ave N Shift Values>> N :: 116.3(3.95) L106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.35 L 0.31 C 0.28 R 0.03 C Shift Assignments>> C :: 178.3 CA :: 57.8(D) CB :: 42.0(D) CD1 :: 26.9 CD2 :: 24.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.38(D) HA :: 3.62(D) HB2 :: 1.87 HB3 :: 1.38 HG :: 1.27 HD1 :: 0.81 HD2 :: 0.82 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.6(D) Ave N Shift Values>> N :: 121.98(4.07) N107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 Y 0.18 E 0.18 F 0.11 N 0.09 M 0.04 I 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 177.8 CA :: 56.1(D) CB :: 37.4(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.70(D) HA :: 4.51(D) HB2 :: 2.98 HB3 :: 2.91 HD21 :: 7.63(D) HD22 :: 7.63(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.5(D) ND2 :: 112.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 Q 0.13 W 0.12 R 0.11 C 0.11 E 0.11 H 0.1 I 0.06 L 0.03 M 0.01 C Shift Assignments>> C :: 177.3 CA :: 58.0(D) CB :: 28.5(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.82(D) HA :: 4.49(D) HB2 :: 3.34 HB3 :: 3.30 HD2 :: 7.18 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.0(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 R 0.11 E 0.11 V 0.1 H 0.07 K 0.06 I 0.06 M 0.05 Q 0.05 P 0.01 C Shift Assignments>> C :: 177.8 CA :: 59.7(D) CB :: 31.1(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.31(D) HA :: 3.68(D) HB2 :: 2.17 HB3 :: 1.71 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.7(D) Ave N Shift Values>> N :: 120.1(3.88) F110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 C 0.16 Y 0.14 F 0.13 E 0.01 HN Overlap>> E119 C Shift Assignments>> C :: 178.9 CA :: 62.2(D) CB :: 38.3(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.17(D) HA :: 4.19(D) HB2 :: 3.08 HB3 :: 3.30 HD1 :: 7.46 HD2 :: 7.46 HE1 :: 7.19 HE2 :: 7.19 HZ :: 7.04 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.4(D) Ave N Shift Values>> N :: 120.69(4.18) D111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.25 C 0.18 I 0.08 D 0.07 L 0.06 K 0.03 N 0.02 E 0.01 HN Overlap>> E39 C Shift Assignments>> C :: 178.6 CA :: 57.6(D) CB :: 39.8(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.30(D) HA :: 4.41(D) HB2 :: 2.89 HB3 :: 2.71 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.7(D) Ave N Shift Values>> N :: 120.73(4.2) S112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.3 CA :: 61.8(D) CB :: 62.7(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.23(D) HA :: 4.23(D) HB2 :: 4.06 HB3 :: 3.92 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.3(D) Ave N Shift Values>> N :: 116.3(3.95) L113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.42 C 0.33 K 0.22 C Shift Assignments>> C :: 180.2 CA :: 57.8(D) CB :: 41.6(D) CD1 :: 26.4 CD2 :: 23.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.69(D) HA :: 4.07(D) HB2 :: 2.05 HB3 :: 1.60 HG :: 1.83 HD1 :: 0.90 HD2 :: 0.86 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 121.98(4.07) L114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.44 K 0.04 HN Overlap>> R117 C Shift Assignments>> C :: 178.8 CA :: 58.6(D) CB :: 41.7(D) CD1 :: 25.5 CD2 :: 22.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.82(D) HA :: 3.94(D) HB2 :: 2.18 HB3 :: 1.52 HG :: 1.97 HD1 :: 0.96 HD2 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.3(D) Ave N Shift Values>> N :: 121.98(4.07) E115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 E 0.33 I 0.24 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.2 CA :: 59.6(D) CB :: 29.6(D) CG :: 36.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.08(D) HA :: 3.85(D) HB2 :: 2.20 HB3 :: 2.15 HG2 :: 2.50 HG3 :: 2.50 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.2(D) Ave N Shift Values>> N :: 120.68(3.68) L116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 C 0.32 K 0.14 G 0.01 HN Overlap>> I20 C Shift Assignments>> C :: 179.8 CA :: 57.9(D) CB :: 42.0(D) CD1 :: 25.9 CD2 :: 23.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.02(D) HA :: 4.08(D) HB2 :: 1.59 HB3 :: 1.91 HG :: 1.58 HD1 :: 0.93 HD2 :: 0.95 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 121.98(4.07) R117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 W 0.14 E 0.13 C 0.13 H 0.12 M 0.09 Q 0.09 K 0.08 V 0.02 I 0.01 HN Overlap>> L114 C Shift Assignments>> C :: 177.3 CA :: 57.4(D) CB :: 30.9(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.71(D) HA :: 4.15(D) HB2 :: 2.23 HB3 :: 2.03 HG2 :: 1.92 HG3 :: 1.90 HD2 :: 3.53 HD3 :: 3.03 HE :: 8.10 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.3(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 K 0.23 Q 0.18 R 0.09 E 0.05 P 0.04 I 0.03 M 0.03 HN Overlap>> Q12 L55 C Shift Assignments>> C :: 177.5 CA :: 60.2(D) CB :: 28.7(D) CG :: 33.2 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.45(D) HA :: 3.65(D) HB2 :: 1.91 HB3 :: 1.91 HG2 :: 2.26 HG3 :: 2.17 HE21 :: 7.76(D) HE22 :: 6.60(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.9(D) NE2 :: 111.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.33 C 0.33 I 0.18 K 0.08 Q 0.03 M 0.02 HN Overlap>> L60 F110 C Shift Assignments>> C :: 179.1 CA :: 59.4(D) CB :: 29.5(D) CG :: 36.1 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.19(D) HA :: 3.87(D) HB2 :: 2.21 HB3 :: 2.15 HG2 :: 2.55 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.5(D) Ave N Shift Values>> N :: 120.68(3.68) E120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.33 C 0.32 I 0.11 K 0.09 Q 0.06 M 0.05 C Shift Assignments>> C :: 179.5 CA :: 59.0(D) CB :: 29.9(D) CG :: 35.8 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.00(D) HA :: 4.03(D) HB2 :: 2.31 HB3 :: 2.23 HG2 :: 2.42 HG3 :: 2.15 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.0(D) Ave N Shift Values>> N :: 120.68(3.68) L121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 C 0.39 G 0.08 K 0.02 A 0.01 C Shift Assignments>> C :: 178.5 CA :: 57.9(D) CB :: 43.0(D) CD1 :: 25.9 CD2 :: 22.1 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.23(D) HA :: 3.96(D) HB2 :: 2.12 HB3 :: 1.36 HG :: 1.50 HD1 :: 0.81 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.6(D) Ave N Shift Values>> N :: 121.98(4.07) I122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.9 CA :: 65.0(D) CB :: 38.0(D) CG1 :: 29.3 CG2 :: 16.7 CD1 :: 13.3 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.47(D) HA :: 3.67(D) HB :: 1.91 HG2 :: 0.95 HG12 :: 1.84 HG13 :: 1.21 HD1 :: 0.85 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.4(D) Ave N Shift Values>> N :: 121.6(4.72) A123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.3 CA :: 55.0(D) CB :: 17.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.86(D) HA :: 4.06(D) HB :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.7(D) Ave N Shift Values>> N :: 123.23(3.7) R124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 E 0.14 C 0.13 R 0.13 H 0.1 Q 0.09 K 0.07 I 0.05 M 0.04 V 0.03 C Shift Assignments>> C :: 178.5 CA :: 58.7(D) CB :: 30.2(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.08(D) HA :: 4.07(D) HB2 :: 1.93 HB3 :: 1.93 HD2 :: 3.08 HD3 :: 3.08 HE :: 7.70 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 W 0.15 C 0.15 E 0.1 K 0.09 Q 0.07 R 0.07 H 0.07 V 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 177.4 CA :: 60.1(D) CB :: 29.0(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.68(D) HA :: 3.58(D) HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.39 HG3 :: 2.39 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.7(D) Ave N Shift Values>> N :: 120.68(3.68) R126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 C 0.36 K 0.18 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.7 CA :: 58.3(D) CB :: 30.7(D) CG :: 27.4 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.39(D) HA :: 4.09(D) HB2 :: 2.56 HB3 :: 2.01 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.8(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.3 CA :: 63.0(D) CB :: 69.5(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.72(D) HA :: 4.05(D) HB :: 4.09 HG2 :: 1.18 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.6(D) Ave N Shift Values>> N :: 115.7(5.05) H128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 K 0.16 M 0.15 R 0.11 W 0.11 H 0.09 E 0.08 Q 0.06 V 0.03 HN Overlap>> E84 C Shift Assignments>> C :: 175.7 CA :: 57.3(D) CB :: 32.2(D) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.45(D) HA :: 4.62(D) HB2 :: 3.27 HB3 :: 3.12 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.2(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.3 CA :: 44.0(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.07(D) HA2 :: 3.91(D) HA3 :: 4.34(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.2(D) Ave N Shift Values>> N :: 109.91(4.29) L130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.31 L 0.25 A 0.25 C 0.17 C Shift Assignments>> C :: 178.1 CA :: 53.4(D) CB :: 44.2(D) CD1 :: 25.9 CD2 :: 21.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.32(D) HA :: 4.80(D) HB2 :: 1.69 HB3 :: 1.69 HG :: 1.50 HD1 :: 0.94 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.7(D) Ave N Shift Values>> N :: 121.98(4.07) S131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.0 CA :: 56.9(D) CB :: 65.5(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.32(D) HA :: 4.50(D) HB2 :: 4.03 HB3 :: 4.03 HG :: 4.41 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.0(D) Ave N Shift Values>> N :: 116.3(3.95) N132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 Y 0.23 F 0.16 E 0.13 I 0.06 N 0.05 D 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.7 CA :: 56.9(D) CB :: 37.9(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.12(D) HA :: 4.30(D) HB2 :: 2.83 HB3 :: 2.79 HD21 :: 7.69(D) HD22 :: 6.93(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.8(D) ND2 :: 113.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 C 0.15 W 0.15 E 0.09 K 0.08 R 0.06 Q 0.06 H 0.06 V 0.03 P 0.02 M 0.01 C Shift Assignments>> C :: 179.8 CA :: 60.5(D) CB :: 28.9(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.82(D) HA :: 3.93(D) HB2 :: 2.06 HB3 :: 1.98 HG2 :: 2.48 HG3 :: 2.30 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 120.68(3.68) E134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 E 0.36 I 0.11 M 0.09 K 0.01 C Shift Assignments>> C :: 178.1 CA :: 58.6(D) CB :: 31.3(D) CG :: 37.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.79(D) HA :: 4.05(D) HB2 :: 2.40 HB3 :: 1.97 HG2 :: 2.39 HG3 :: 2.34 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.6(D) Ave N Shift Values>> N :: 120.68(3.68) R135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.14 I 0.14 E 0.12 R 0.09 K 0.08 H 0.08 Q 0.08 V 0.04 M 0.02 HN Overlap>> L138 C Shift Assignments>> C :: 178.7 CA :: 59.8(D) CB :: 29.5(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.61(D) HA :: 3.78(D) HB2 :: 1.84 HB3 :: 1.66 HG2 :: 2.42 HG3 :: 1.96 HD2 :: 3.26 HD3 :: 3.17 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.2(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.34 L 0.33 C 0.3 R 0.01 C Shift Assignments>> C :: 179.5 CA :: 57.6(D) CB :: 41.4(D) CD1 :: 26.9 CD2 :: 24.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.63(D) HA :: 4.16(D) HB2 :: 1.69 HB3 :: 1.69 HG :: 1.75 HD1 :: 0.90 HD2 :: 0.86 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.3(D) Ave N Shift Values>> N :: 121.98(4.07) E137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 E 0.29 I 0.17 K 0.11 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.1 CA :: 59.6(D) CB :: 29.1(D) CG :: 35.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.99(D) HA :: 3.92(D) HB2 :: 2.25 HB3 :: 2.04 HG2 :: 2.40 HG3 :: 2.40 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.5(D) Ave N Shift Values>> N :: 120.68(3.68) L138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.39 K 0.1 HN Overlap>> T58 R135 C Shift Assignments>> C :: 177.4 CA :: 58.0(D) CB :: 41.4(D) CD1 :: 25.9 CD2 :: 23.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.53(D) HA :: 3.98(D) HB2 :: 2.03 HB3 :: 1.50 HG :: 1.67 HD1 :: 1.08 HD2 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.2(D) Ave N Shift Values>> N :: 121.98(4.07) W139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 C 0.14 W 0.12 P 0.06 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 V 0.04 C Shift Assignments>> C :: 178.8 CA :: 61.2(D) CB :: 28.7(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.28(D) HA :: 4.21(D) HB2 :: 3.55 HB3 :: 3.43 HD1 :: 7.25 HE1 :: 10.06(D) HE3 :: 7.65 HZ2 :: 7.41 HZ3 :: 7.10 HH2 :: 7.18 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.4(D) NE1 :: 129.3 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) T140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> T101 C Shift Assignments>> C :: 176.6 CA :: 67.0(D) CB :: 68.9(D) CG2 :: 21.2 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.34(D) HA :: 3.66(D) HB :: 4.49 HG2 :: 1.30 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.2(D) Ave N Shift Values>> N :: 115.7(5.05) L141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 R 0.15 F 0.15 L 0.14 C 0.13 Y 0.11 D 0.04 I 0.02 C Shift Assignments>> C :: 178.4 CA :: 58.1(D) CB :: 42.1(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.50(D) HA :: 3.97(D) HB2 :: 1.32 HB3 :: 2.03 HG :: 1.93 HD1 :: 0.90 HD2 :: 0.96 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.7(D) Ave N Shift Values>> N :: 121.98(4.07) N142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 N 0.17 Y 0.15 E 0.15 F 0.09 D 0.04 M 0.04 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 178.4 CA :: 55.3(D) CB :: 37.4(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.63(D) HA :: 4.22(D) HB2 :: 2.92 HB3 :: 2.64 HD21 :: 7.29(D) HD22 :: 6.30(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.3(D) ND2 :: 108.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 Q 0.13 W 0.12 E 0.11 C 0.11 R 0.11 H 0.11 I 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 178.2 CA :: 57.8(D) CB :: 28.6(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.55(D) HA :: 3.80(D) HB2 :: 1.93 HB3 :: 1.93 HG2 :: 1.85 HG3 :: 1.78 HE21 :: 6.64(D) HE22 :: 6.41(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.8(D) NE2 :: 112.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 E 0.29 K 0.14 Q 0.12 I 0.06 M 0.05 C Shift Assignments>> C :: 178.9 CA :: 58.3(D) CB :: 29.6(D) CG :: 35.4 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.96(D) HA :: 3.96(D) HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.30 HG3 :: 2.30 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 120.68(3.68) L145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 C 0.31 R 0.06 A 0.02 HN Overlap>> T17 C Shift Assignments>> C :: 177.7 CA :: 55.9(D) CB :: 41.7(D) CG :: 27.1 CD1 :: 25.2 CD2 :: 22.7 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.24(D) HA :: 4.09(D) HB2 :: 1.76 HB3 :: 1.70 HG :: 1.56 HD1 :: 0.89 HD2 :: 0.76 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.2(D) Ave N Shift Values>> N :: 121.98(4.07) A146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.7 M 0.26 C 0.02 C Shift Assignments>> C :: 177.7 CA :: 53.0(D) CB :: 18.7(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.28(D) HA :: 4.13(D) HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.6(D) Ave N Shift Values>> N :: 123.23(3.7) K147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 K 0.17 C 0.17 Q 0.12 R 0.09 H 0.08 W 0.08 E 0.05 V 0.02 HN Overlap>> L21 C Shift Assignments>> C :: 175.7 CA :: 56.1(D) CB :: 32.7(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.61(D) HA :: 4.17 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.1 E 0.1 W 0.09 Y 0.08 R 0.08 F 0.08 K 0.08 Q 0.07 H 0.06 S 0.06 M 0.05 L 0.04 D 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 181.2 CA :: 57.5 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.61(D) HA :: 4.05 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 4 #Clerical: 141 #Suspicious: 1 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 314 #Duplicate: 221 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 494 #Duplicate: 302 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 N Shift Results: #Consistent: 18 #Duplicate: 141 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: A2 H = 8.55(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5967e-01 A2 N = 123.4(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.6335e-01 E3 H = 8.52(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.6793e-01 E3 N = 120.8(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.7399e-01 S4 H = 8.35(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.2291e-01 S4 N = 116.9(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.7927e-01 G5 H = 8.39(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.4613e-01 G5 N = 110.9(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.1749e-01 V6 H = 7.86(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.4476e-01 V6 N = 118.9(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.6907e-01 S7 H = 8.33(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.4856e-01 S7 N = 119.9(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.6209e-01 R8 H = 8.24(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.0000e+00 R8 N = 124.1(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.7086e-01 V10 H = 8.22(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.2146e-01 V10 N = 121.9(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.5918e-01 Q12 H = 8.38(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.9636e-01 Q12 N = 120.9(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.0693e-01 L13 H = 8.18(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.5093e-01 L13 N = 123.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.9060e-01 K14 H = 8.18(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.5016e-01 K14 N = 122.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.6288e-01 R15 H = 8.49(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.7692e-01 R15 HA = 4.17(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2021e-01 R15 N = 122.6(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.0987e-01 T16 N = 114.5(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.1217e-01 T17 H = 8.28(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.8713e-01 T17 HA = 3.68(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.0960e-01 T17 N = 118.2(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2056e-01 M18 H = 8.27(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8670e-01 M18 HA = 4.19(D), Expected = 4.39, Std = 0.4600, ChiSquare = 6.6372e-01 M18 N = 115.1(D), Expected = 120.10, Std = 3.8800, ChiSquare = 1.9752e-01 R19 H = 7.51(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.2373e-01 R19 HA = 3.76(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.4642e-01 R19 N = 118.4(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.7094e-01 I20 CA = 65.5(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.5958e-01 I20 CB = 39.0(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.4073e-01 I20 H = 7.97(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.8294e-01 I20 HA = 3.66(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.3490e-01 I20 N = 119.3(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.2605e-01 L21 CA = 58.6(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.8193e-01 L21 CB = 41.7(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.1869e-01 L21 H = 7.72(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.4176e-01 L21 HA = 3.86(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.2772e-01 L21 N = 118.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.4920e-01 I22 CA = 66.3(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.0219e-02 I22 CB = 38.5(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.6947e-01 I22 H = 8.23(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.6630e-01 I22 HA = 3.55(D), Expected = 4.20, Std = 0.5600, ChiSquare = 2.4576e-01 I22 N = 116.5(D), Expected = 121.60, Std = 4.7200, ChiSquare = 2.7992e-01 G23 CA = 48.3(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.6479e-02 G23 H = 8.63(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.9514e-01 G23 HA2 = 3.50(D), Expected = 3.95, Std = 0.4000, ChiSquare = 2.6059e-01 G23 HA3 = 3.65(D), Expected = 3.93, Std = 0.4000, ChiSquare = 4.8393e-01 G23 N = 105.4(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.9313e-01 L24 CA = 57.9(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0863e-01 L24 CB = 43.0(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.3483e-01 L24 H = 8.77(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.9747e-01 L24 HA = 3.80(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6856e-01 L24 N = 120.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.4414e-01 L25 CA = 57.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.8308e-01 L25 CB = 42.4(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.8713e-01 L25 H = 7.95(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.7786e-01 L25 HA = 3.86(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.2772e-01 L25 N = 120.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.7977e-01 V26 CA = 65.2(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.7093e-01 V26 CB = 31.8(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.5252e-01 V26 H = 8.25(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.5507e-01 V26 HA = 3.47(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.2608e-01 V26 N = 114.4(D), Expected = 121.02, Std = 4.9600, ChiSquare = 1.8198e-01 Q27 H = 7.52(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.5888e-01 Q27 HA = 3.93(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.2635e-01 Q27 HE21 = 7.29(D), Expected = 7.17, Std = 0.4600, ChiSquare = 7.9419e-01 Q27 HE22 = 6.73(D), Expected = 7.07, Std = 0.4900, ChiSquare = 4.8776e-01 Q27 N = 113.8(D), Expected = 119.92, Std = 4.0100, ChiSquare = 1.2696e-01 N28 H = 7.60(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.3617e-01 N28 HA = 4.89(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.2613e-01 N28 N = 115.8(D), Expected = 119.13, Std = 4.4200, ChiSquare = 4.5121e-01 P29 CA = 65.4(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.0037e-01 P29 CB = 32.8(D), Expected = 31.81, Std = 1.5400, ChiSquare = 5.2032e-01 P29 HA = 4.40(D), Expected = 4.41, Std = 0.3600, ChiSquare = 9.7784e-01 E30 CB = 27.8(D), Expected = 30.07, Std = 1.8400, ChiSquare = 2.1732e-01 E30 H = 9.19(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.6349e-01 E30 HA = 4.12(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.4474e-01 E30 N = 117.2(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.4433e-01 L31 CA = 56.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.3865e-01 L31 CB = 39.5(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.2283e-01 L31 H = 8.31(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.8988e-01 L31 HA = 4.12(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7045e-01 L31 HB3 = 0.34(S), Expected = 1.57, Std = 0.3600, ChiSquare = 6.3393e-04 L31 N = 120.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.9073e-01 A32 CA = 55.3(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9888e-01 A32 H = 7.54(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7133e-01 A32 HA = 3.77(D), Expected = 4.26, Std = 0.4200, ChiSquare = 2.4334e-01 A32 N = 119.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.6433e-01 T33 CA = 63.8(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.4410e-01 T33 CB = 68.9(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.6335e-01 T33 H = 7.17(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.6031e-02 T33 HA = 3.87(D), Expected = 4.48, Std = 0.5000, ChiSquare = 2.2246e-01 T33 N = 105.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 4.5500e-02 L34 CA = 55.0(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.6867e-01 L34 CB = 42.6(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.0159e-01 L34 H = 7.78(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.9845e-01 L34 HA = 4.26(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9842e-01 L34 N = 120.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.4414e-01 V35 CA = 61.3(D), Expected = 62.48, Std = 3.0400, ChiSquare = 6.9790e-01 V35 H = 7.20(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.2473e-01 V35 HA = 4.12(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.4405e-01 V35 N = 119.9(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.2135e-01 P37 CA = 64.4(D), Expected = 63.30, Std = 1.6400, ChiSquare = 5.0239e-01 P37 CB = 32.5(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.5412e-01 P37 HA = 4.20(D), Expected = 4.41, Std = 0.3600, ChiSquare = 5.5967e-01 L38 CB = 43.8(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.4200e-01 L38 H = 8.50(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.6664e-01 L38 HA = 4.18(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.6580e-01 L38 N = 122.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.7892e-01 E39 CA = 59.1(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.4301e-01 E39 CB = 29.5(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.5673e-01 E39 H = 8.31(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.6078e-01 E39 HA = 3.92(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.2912e-01 E39 N = 120.8(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.7399e-01 N40 CA = 53.5(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.7122e-01 N40 CB = 38.1(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.5306e-01 N40 H = 8.58(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.4664e-01 N40 HA = 4.62(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.3747e-01 N40 HD21 = 7.50(D), Expected = 7.27, Std = 0.5200, ChiSquare = 6.5827e-01 N40 HD22 = 6.83(D), Expected = 7.20, Std = 0.5200, ChiSquare = 4.7675e-01 N40 N = 114.8(D), Expected = 119.13, Std = 4.4200, ChiSquare = 3.2726e-01 L41 CA = 54.3(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.4129e-01 L41 CB = 43.3(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.1707e-01 L41 H = 7.17(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.0623e-01 L41 HA = 4.31(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.8303e-01 L41 N = 119.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.7918e-01 D42 CA = 53.1(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.9892e-01 D42 CB = 41.2(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.6463e-01 D42 H = 8.31(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.7201e-01 D42 HA = 4.60(D), Expected = 4.61, Std = 0.3100, ChiSquare = 9.7427e-01 D42 N = 121.2(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.1090e-01 E43 CA = 58.2(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.2172e-01 E43 CB = 28.9(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.2486e-01 E43 H = 8.85(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.0312e-01 E43 HA = 3.93(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.4282e-01 E43 N = 125.0(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.4043e-01 N44 CA = 54.9(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.4861e-01 N44 CB = 38.4(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.8387e-01 N44 H = 8.42(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.3868e-01 N44 HA = 4.40(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.4176e-01 N44 HD21 = 7.90(D), Expected = 7.27, Std = 0.5200, ChiSquare = 2.2569e-01 N44 HD22 = 6.97(D), Expected = 7.20, Std = 0.5200, ChiSquare = 6.5827e-01 N44 N = 116.4(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.3681e-01 K45 CA = 56.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.7873e-01 K45 CB = 33.7(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.4353e-01 K45 H = 7.51(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.6727e-01 K45 HA = 4.08(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.5672e-01 K45 N = 116.5(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.5687e-01 L46 H = 6.69(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.8580e-02 L46 HA = 4.08(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.0960e-01 L46 N = 116.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.1197e-01 P47 CA = 64.0(D), Expected = 63.30, Std = 1.6400, ChiSquare = 6.6950e-01 P47 CB = 31.4(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.9006e-01 P47 HA = 4.32(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.0259e-01 G48 H = 8.50(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.2882e-01 G48 HA2 = 3.58(D), Expected = 3.95, Std = 0.4000, ChiSquare = 3.5497e-01 G48 HA3 = 4.17(D), Expected = 3.93, Std = 0.4000, ChiSquare = 5.4851e-01 G48 N = 113.6(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.8971e-01 L49 CB = 42.2(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.2718e-01 L49 H = 8.39(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.9368e-01 L49 HA = 4.09(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.2459e-01 L49 N = 123.0(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.0211e-01 G50 H = 9.08(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.1731e-01 G50 HA2 = 3.57(D), Expected = 3.95, Std = 0.4000, ChiSquare = 3.4211e-01 G50 HA3 = 3.83(D), Expected = 3.93, Std = 0.4000, ChiSquare = 8.0259e-01 G50 N = 106.8(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.6849e-01 L51 CB = 41.1(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.9474e-01 L51 H = 7.82(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.3830e-01 L51 HA = 4.17(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.4961e-01 L51 N = 124.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.1975e-01 F52 H = 8.39(D), Expected = 8.42, Std = 0.7400, ChiSquare = 9.6766e-01 F52 HA = 4.02(D), Expected = 4.62, Std = 0.5800, ChiSquare = 3.0091e-01 F52 N = 118.9(D), Expected = 120.69, Std = 4.1800, ChiSquare = 6.6848e-01 R53 CA = 59.7(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.5384e-01 R53 CB = 31.0(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.4767e-01 R53 H = 8.76(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.8612e-01 R53 HA = 3.51(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.4119e-02 R53 N = 116.9(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.4146e-01 E54 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E54 H = 7.75(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.3344e-01 E54 HA = 4.00(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.4541e-01 E54 N = 119.6(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.6916e-01 L55 CB = 43.2(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.5543e-01 L55 H = 8.45(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.2345e-01 L55 HA = 3.90(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.7153e-01 L55 N = 121.0(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.0972e-01 V56 CB = 31.5(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.4363e-01 V56 H = 8.47(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.9987e-01 V56 HA = 3.96(D), Expected = 4.16, Std = 0.5700, ChiSquare = 7.2568e-01 V56 N = 121.1(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.8713e-01 N57 CA = 56.4(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.2579e-01 N57 CB = 37.8(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.2899e-01 N57 H = 7.96(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.2819e-01 N57 HA = 4.25(D), Expected = 4.70, Std = 0.3900, ChiSquare = 2.4856e-01 N57 HD21 = 7.49(D), Expected = 7.27, Std = 0.5200, ChiSquare = 6.7224e-01 N57 HD22 = 6.85(D), Expected = 7.20, Std = 0.5200, ChiSquare = 5.0090e-01 N57 N = 116.8(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.9809e-01 T58 CA = 67.0(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.4572e-02 T58 CB = 68.3(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.3056e-01 T58 H = 8.43(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.9636e-01 T58 HA = 3.68(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.0960e-01 T58 N = 120.2(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.7288e-01 C59 CA = 63.6(D), Expected = 57.43, Std = 3.4100, ChiSquare = 7.0391e-02 C59 CB = 27.4(D), Expected = 34.15, Std = 6.7700, ChiSquare = 3.1874e-01 C59 H = 8.19(D), Expected = 8.42, Std = 0.6600, ChiSquare = 7.2748e-01 C59 HA = 3.98(D), Expected = 4.73, Std = 0.5700, ChiSquare = 1.8824e-01 C59 HG = 2.82(M), Expected = 1.66, Std = 0.4800, ChiSquare = 1.5663e-02 C59 N = 119.9(D), Expected = 119.95, Std = 4.7900, ChiSquare = 9.9167e-01 L60 CA = 56.6(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.6729e-01 L60 CB = 41.7(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.1869e-01 L60 H = 8.29(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.1424e-01 L60 HA = 3.94(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.1880e-01 L60 N = 117.5(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.7101e-01 S61 CA = 60.2(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.4197e-01 S61 CB = 63.8(D), Expected = 63.80, Std = 1.5700, ChiSquare = 1.0000e+00 S61 H = 7.53(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.2027e-01 S61 HA = 4.22(D), Expected = 4.51, Std = 0.4300, ChiSquare = 5.0005e-01 S61 N = 112.7(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.6209e-01 Q62 C = 170.2(M), Expected = 176.39, Std = 1.9600, ChiSquare = 1.5877e-03 Q62 H = 7.15(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.4382e-02 Q62 HA = 4.59(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.8109e-01 Q62 HE21 = 7.39(D), Expected = 7.17, Std = 0.4600, ChiSquare = 6.3246e-01 Q62 HE22 = 6.65(D), Expected = 7.07, Std = 0.4900, ChiSquare = 3.9137e-01 Q62 N = 121.3(D), Expected = 119.92, Std = 4.0100, ChiSquare = 7.3074e-01 P63 CA = 63.7(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.0731e-01 P63 HA = 4.31(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.8118e-01 G64 CA = 45.3(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.8314e-01 G64 H = 8.70(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.2662e-01 G64 HA2 = 3.65(D), Expected = 3.95, Std = 0.4000, ChiSquare = 4.5325e-01 G64 HA3 = 4.02(D), Expected = 3.93, Std = 0.4000, ChiSquare = 8.2198e-01 G64 N = 111.5(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.1091e-01 L65 CA = 56.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.3865e-01 L65 CB = 41.8(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.5926e-01 L65 H = 7.94(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.6664e-01 L65 HA = 4.32(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.0000e+00 L65 N = 122.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.7892e-01 T66 CA = 59.2(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.7812e-01 T66 CB = 72.3(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.1765e-01 T66 H = 7.82(D), Expected = 8.27, Std = 0.6200, ChiSquare = 4.6796e-01 T66 HA = 4.62(D), Expected = 4.48, Std = 0.5000, ChiSquare = 7.7948e-01 T66 N = 110.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.1254e-01 T67 CA = 68.1(D), Expected = 62.15, Std = 2.7200, ChiSquare = 2.8706e-02 T67 CB = 70.2(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.4184e-01 T67 H = 8.88(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.2518e-01 T67 HA = 3.83(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.9360e-01 T67 N = 118.7(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.5247e-01 G68 CA = 47.2(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.8787e-01 G68 H = 8.63(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.9514e-01 G68 HA2 = 3.65(D), Expected = 3.95, Std = 0.4000, ChiSquare = 4.5325e-01 G68 HA3 = 3.82(D), Expected = 3.93, Std = 0.4000, ChiSquare = 7.8332e-01 G68 N = 106.2(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.8715e-01 Q69 CA = 58.3(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.4301e-01 Q69 CB = 29.5(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.3910e-01 Q69 H = 7.70(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.0163e-01 Q69 HA = 4.04(D), Expected = 4.28, Std = 0.4400, ChiSquare = 5.8544e-01 Q69 N = 121.1(D), Expected = 119.92, Std = 4.0100, ChiSquare = 7.6856e-01 L70 CA = 58.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.9719e-01 L70 CB = 41.8(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.5926e-01 L70 H = 8.57(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.9026e-01 L70 HA = 3.99(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8260e-01 L70 N = 123.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.9060e-01 L71 CA = 58.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.4856e-01 L71 CB = 40.8(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.9862e-01 L71 H = 8.48(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.8916e-01 L71 HA = 3.97(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.5646e-01 L71 N = 117.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.3052e-01 E72 CA = 59.3(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9065e-01 E72 CB = 29.2(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.3634e-01 E72 H = 7.92(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.9112e-01 E72 HA = 3.98(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.1494e-01 E72 N = 120.1(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.7477e-01 H73 CA = 58.3(D), Expected = 56.37, Std = 2.4000, ChiSquare = 4.2130e-01 H73 CB = 28.5(D), Expected = 29.95, Std = 2.1500, ChiSquare = 5.0005e-01 H73 H = 7.71(D), Expected = 8.25, Std = 0.7400, ChiSquare = 4.6556e-01 H73 HA = 4.09(D), Expected = 4.62, Std = 0.5100, ChiSquare = 2.9870e-01 H73 N = 116.2(D), Expected = 119.44, Std = 4.5200, ChiSquare = 4.7349e-01 Y74 CA = 58.9(D), Expected = 58.02, Std = 2.6400, ChiSquare = 7.3888e-01 Y74 CB = 39.6(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.4359e-01 Y74 H = 7.49(D), Expected = 8.37, Std = 0.7500, ChiSquare = 2.4066e-01 Y74 HA = 4.17(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.1140e-01 Y74 N = 113.8(D), Expected = 120.79, Std = 4.6900, ChiSquare = 1.3612e-01 R75 CA = 58.6(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.9357e-01 R75 CB = 30.2(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.9495e-01 R75 H = 7.39(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.5658e-01 R75 HA = 4.00(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3946e-01 R75 N = 125.0(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.6032e-01 G76 CA = 45.4(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.6068e-01 G76 H = 9.07(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.2389e-01 G76 HA2 = 3.80(D), Expected = 3.95, Std = 0.4000, ChiSquare = 7.0766e-01 G76 HA3 = 4.01(D), Expected = 3.93, Std = 0.4000, ChiSquare = 8.4148e-01 G76 N = 112.1(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.0971e-01 T77 H = 7.64(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.0957e-01 T77 HA = 4.82(D), Expected = 4.48, Std = 0.5000, ChiSquare = 4.9650e-01 T77 N = 108.5(D), Expected = 115.70, Std = 5.0500, ChiSquare = 1.5394e-01 N78 H = 9.17(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.1841e-01 N78 HA = 4.54(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.8162e-01 N78 N = 119.4(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.5129e-01 N79 CA = 53.7(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.8931e-01 N79 CB = 40.2(D), Expected = 38.66, Std = 1.7800, ChiSquare = 3.8695e-01 N79 H = 7.79(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.7223e-01 N79 HA = 4.83(D), Expected = 4.70, Std = 0.3900, ChiSquare = 7.3888e-01 N79 N = 114.2(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.6469e-01 A80 CA = 56.6(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.4939e-02 A80 CB = 18.7(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.1391e-01 A80 H = 7.39(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7702e-01 A80 HA = 3.74(D), Expected = 4.26, Std = 0.4200, ChiSquare = 2.1568e-01 A80 N = 123.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.4183e-01 A81 CA = 55.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.2203e-01 A81 CB = 17.7(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.1657e-01 A81 H = 8.37(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7692e-01 A81 HA = 4.07(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.5099e-01 A81 N = 119.0(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.5294e-01 T82 CA = 66.0(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.5694e-01 T82 CB = 69.1(D), Expected = 69.64, Std = 1.7000, ChiSquare = 7.5075e-01 T82 H = 7.72(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.7503e-01 T82 HA = 3.72(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.2851e-01 T82 N = 115.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.8420e-01 L83 CA = 57.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3063e-01 L83 CB = 41.2(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.2933e-01 L83 H = 7.74(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.6023e-01 L83 HA = 3.72(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0174e-01 L83 N = 119.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.5870e-01 E84 CA = 59.7(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.9783e-01 E84 CB = 29.4(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.1576e-01 E84 H = 8.43(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.8271e-01 E84 HA = 3.72(D), Expected = 4.26, Std = 0.4300, ChiSquare = 2.0918e-01 E84 N = 119.1(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.6767e-01 K85 CA = 59.3(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.7425e-01 K85 CB = 32.1(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.9780e-01 K85 H = 7.71(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.2552e-01 K85 HA = 3.96(D), Expected = 4.28, Std = 0.4500, ChiSquare = 4.7702e-01 K85 N = 119.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.6849e-01 L86 CA = 57.3(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.5530e-01 L86 CB = 42.6(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.0159e-01 L86 H = 7.93(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.5549e-01 L86 HA = 3.94(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.1880e-01 L86 N = 118.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.5302e-01 S87 CA = 61.2(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.1477e-01 S87 CB = 63.0(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.1036e-01 S87 H = 8.18(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.5918e-01 S87 HA = 4.00(D), Expected = 4.51, Std = 0.4300, ChiSquare = 2.3560e-01 S87 N = 114.4(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.3051e-01 M88 CA = 54.7(D), Expected = 56.16, Std = 2.3400, ChiSquare = 5.3267e-01 M88 CB = 33.2(D), Expected = 32.90, Std = 2.2300, ChiSquare = 8.9298e-01 M88 H = 7.05(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.3730e-02 M88 HA = 4.56(D), Expected = 4.39, Std = 0.4600, ChiSquare = 7.1171e-01 M88 N = 118.6(D), Expected = 120.10, Std = 3.8800, ChiSquare = 6.9905e-01 W89 CA = 55.7(D), Expected = 57.71, Std = 2.6500, ChiSquare = 4.4816e-01 W89 CB = 29.2(D), Expected = 30.16, Std = 2.1900, ChiSquare = 6.6113e-01 W89 H = 7.15(D), Expected = 8.35, Std = 0.8400, ChiSquare = 1.5313e-01 W89 HA = 4.79(D), Expected = 4.74, Std = 0.5500, ChiSquare = 9.2757e-01 W89 HE1 = 10.01(D), Expected = 10.13, Std = 0.5300, ChiSquare = 8.2088e-01 W89 N = 122.0(D), Expected = 121.87, Std = 4.5800, ChiSquare = 9.7736e-01 D90 CA = 55.7(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.7418e-01 D90 CB = 40.8(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.5225e-01 D90 H = 8.59(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.4829e-01 D90 HA = 4.37(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.3882e-01 D90 N = 126.6(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.6223e-01 D91 CA = 55.3(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.1032e-01 D91 CB = 40.5(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.0467e-01 D91 H = 7.39(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.9122e-02 D91 HA = 4.20(D), Expected = 4.61, Std = 0.3100, ChiSquare = 1.8597e-01 D91 N = 117.9(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.0043e-01 I92 CA = 61.1(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.6009e-01 I92 CB = 37.9(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.4491e-01 I92 H = 6.67(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.5128e-02 I92 HA = 3.93(D), Expected = 4.20, Std = 0.5600, ChiSquare = 6.2970e-01 I92 N = 112.2(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.6423e-02 A93 CA = 53.1(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.7676e-01 A93 CB = 20.2(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.8224e-01 A93 H = 7.36(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6151e-01 A93 HA = 4.20(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.8640e-01 A93 N = 124.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.9320e-01 D94 CA = 54.0(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.0443e-01 D94 CB = 40.9(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.0467e-01 D94 H = 7.70(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.6905e-01 D94 HA = 4.47(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.5155e-01 D94 N = 117.8(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.8542e-01 K95 CA = 58.6(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.3408e-01 K95 CB = 32.2(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.3754e-01 K95 H = 8.70(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.5325e-01 K95 HA = 3.90(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.9842e-01 K95 N = 127.0(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.5534e-01 N96 CA = 55.7(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.4196e-01 N96 CB = 38.4(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.8387e-01 N96 H = 8.53(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.0556e-01 N96 HA = 4.44(D), Expected = 4.70, Std = 0.3900, ChiSquare = 5.0499e-01 N96 HD21 = 7.87(D), Expected = 7.27, Std = 0.5200, ChiSquare = 2.4856e-01 N96 HD22 = 6.90(D), Expected = 7.20, Std = 0.5200, ChiSquare = 5.6399e-01 N96 N = 116.5(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.5183e-01 N96 ND2 = 114.6(D), Expected = 112.83, Std = 2.6000, ChiSquare = 4.9602e-01 I97 CA = 60.8(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.7628e-01 I97 CB = 38.7(D), Expected = 38.58, Std = 2.0900, ChiSquare = 9.5421e-01 I97 H = 7.22(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.4298e-01 I97 HA = 4.60(D), Expected = 4.20, Std = 0.5600, ChiSquare = 4.7505e-01 I97 N = 112.3(D), Expected = 121.60, Std = 4.7200, ChiSquare = 4.8800e-02 A98 CA = 56.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.4002e-01 A98 CB = 18.5(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.2882e-01 A98 H = 7.51(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5014e-01 A98 HA = 3.90(D), Expected = 4.26, Std = 0.4200, ChiSquare = 3.9137e-01 A98 N = 127.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.4848e-01 E99 CA = 60.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.4649e-01 E99 CB = 29.1(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.9807e-01 E99 H = 8.56(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.1836e-01 E99 HA = 3.74(D), Expected = 4.26, Std = 0.4300, ChiSquare = 2.2655e-01 E99 N = 117.5(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.8752e-01 Q100 CA = 58.7(D), Expected = 56.62, Std = 2.1900, ChiSquare = 3.4223e-01 Q100 CB = 28.6(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.9964e-01 Q100 H = 8.25(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.6141e-01 Q100 HA = 3.98(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.9535e-01 Q100 HE21 = 7.63(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.1731e-01 Q100 HE22 = 6.75(D), Expected = 7.07, Std = 0.4900, ChiSquare = 5.1372e-01 Q100 N = 119.7(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.5625e-01 T101 CA = 66.5(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.0976e-01 T101 CB = 68.5(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.0248e-01 T101 H = 8.29(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.7427e-01 T101 HA = 3.95(D), Expected = 4.48, Std = 0.5000, ChiSquare = 2.8914e-01 T101 N = 116.1(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.3687e-01 F102 CA = 62.7(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.0309e-01 F102 CB = 40.6(D), Expected = 39.95, Std = 2.0400, ChiSquare = 7.5001e-01 F102 H = 8.88(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.3419e-01 F102 HA = 3.83(D), Expected = 4.62, Std = 0.5800, ChiSquare = 1.7318e-01 F102 N = 125.4(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.5983e-01 T103 CA = 66.8(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.7348e-02 T103 CB = 68.6(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.4069e-01 T103 H = 8.68(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.0843e-01 T103 HA = 3.76(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.4987e-01 T103 N = 113.3(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.3461e-01 D104 CA = 57.6(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.4247e-01 D104 CB = 40.9(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.0467e-01 D104 H = 8.28(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.3010e-01 D104 HA = 4.36(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.1998e-01 D104 N = 122.1(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.4428e-01 S105 CA = 63.6(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.7661e-02 S105 CB = 62.8(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.2416e-01 S105 H = 8.08(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.3483e-01 S105 HA = 4.11(D), Expected = 4.51, Std = 0.4300, ChiSquare = 3.5225e-01 S105 N = 116.6(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.3946e-01 L106 CA = 57.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3063e-01 L106 CB = 42.0(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.4232e-01 L106 H = 8.38(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.0556e-01 L106 HA = 3.62(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.3639e-01 L106 N = 124.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.1975e-01 N107 CA = 56.1(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.6873e-01 N107 CB = 37.4(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.7903e-01 N107 H = 7.70(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.0265e-01 N107 HA = 4.51(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.2613e-01 N107 HD21 = 7.63(D), Expected = 7.27, Std = 0.5200, ChiSquare = 4.8874e-01 N107 HD22 = 7.63(D), Expected = 7.20, Std = 0.5200, ChiSquare = 4.0828e-01 N107 N = 116.5(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.5183e-01 H108 CA = 58.0(D), Expected = 56.37, Std = 2.4000, ChiSquare = 4.9703e-01 H108 CB = 28.5(D), Expected = 29.95, Std = 2.1500, ChiSquare = 5.0005e-01 H108 H = 7.82(D), Expected = 8.25, Std = 0.7400, ChiSquare = 5.6119e-01 H108 HA = 4.49(D), Expected = 4.62, Std = 0.5100, ChiSquare = 7.9880e-01 H108 N = 117.0(D), Expected = 119.44, Std = 4.5200, ChiSquare = 5.8932e-01 M109 CA = 59.7(D), Expected = 56.16, Std = 2.3400, ChiSquare = 1.3033e-01 M109 CB = 31.1(D), Expected = 32.90, Std = 2.2300, ChiSquare = 4.1957e-01 M109 H = 8.31(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.3359e-01 M109 HA = 3.68(D), Expected = 4.39, Std = 0.4600, ChiSquare = 1.2271e-01 M109 N = 122.7(D), Expected = 120.10, Std = 3.8800, ChiSquare = 5.0279e-01 F110 CA = 62.2(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.4793e-01 F110 CB = 38.3(D), Expected = 39.95, Std = 2.0400, ChiSquare = 4.1862e-01 F110 H = 8.17(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.3549e-01 F110 HA = 4.19(D), Expected = 4.62, Std = 0.5800, ChiSquare = 4.5846e-01 F110 N = 117.4(D), Expected = 120.69, Std = 4.1800, ChiSquare = 4.3123e-01 D111 CA = 57.6(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.4247e-01 D111 CB = 39.8(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8994e-01 D111 H = 8.30(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.5803e-01 D111 HA = 4.41(D), Expected = 4.61, Std = 0.3100, ChiSquare = 5.1882e-01 D111 N = 120.7(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.9430e-01 S112 CA = 61.8(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.2761e-01 S112 CB = 62.7(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.8353e-01 S112 H = 8.23(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.2291e-01 S112 HA = 4.23(D), Expected = 4.51, Std = 0.4300, ChiSquare = 5.1494e-01 S112 N = 116.3(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.0000e+00 L113 CA = 57.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3063e-01 L113 CB = 41.6(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.7889e-01 L113 H = 7.69(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.1485e-01 L113 HA = 4.07(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9478e-01 L113 N = 122.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.7648e-01 L114 CA = 58.6(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.8193e-01 L114 CB = 41.7(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.1869e-01 L114 H = 7.82(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.3830e-01 L114 HA = 3.94(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.1880e-01 L114 N = 121.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.6731e-01 E115 CA = 59.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.1953e-01 E115 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E115 H = 8.08(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.6994e-01 E115 HA = 3.85(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.4034e-01 E115 N = 119.2(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.8756e-01 L116 CA = 57.9(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0863e-01 L116 CB = 42.0(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.4232e-01 L116 H = 8.02(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.5832e-01 L116 HA = 4.08(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.0960e-01 L116 N = 119.4(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.2614e-01 R117 CA = 57.4(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.5188e-01 R117 CB = 30.9(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.9214e-01 R117 H = 7.71(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.7706e-01 R117 HA = 4.15(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8506e-01 R117 N = 121.3(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.5957e-01 Q118 CA = 60.2(D), Expected = 56.62, Std = 2.1900, ChiSquare = 1.0211e-01 Q118 CB = 28.7(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.3910e-01 Q118 H = 8.45(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.1066e-01 Q118 HA = 3.65(D), Expected = 4.28, Std = 0.4400, ChiSquare = 1.5220e-01 Q118 HE21 = 7.76(D), Expected = 7.17, Std = 0.4600, ChiSquare = 1.9963e-01 Q118 HE22 = 6.60(D), Expected = 7.07, Std = 0.4900, ChiSquare = 3.3747e-01 Q118 N = 120.9(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.0693e-01 E119 CA = 59.4(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.6594e-01 E119 CB = 29.5(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.5673e-01 E119 H = 8.19(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.0576e-01 E119 HA = 3.87(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.6442e-01 E119 N = 117.5(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.8752e-01 E120 CA = 59.0(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.7063e-01 E120 CB = 29.9(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.2639e-01 E120 H = 8.00(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.7727e-01 E120 HA = 4.03(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.9273e-01 E120 N = 121.0(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.3071e-01 L121 CA = 57.9(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0863e-01 L121 CB = 43.0(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.3483e-01 L121 H = 8.23(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.8773e-01 L121 HA = 3.96(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.4370e-01 L121 N = 120.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.3456e-01 I122 CA = 65.0(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.1997e-01 I122 CB = 38.0(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.8139e-01 I122 H = 8.47(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.6740e-01 I122 HA = 3.67(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.4393e-01 I122 N = 121.4(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.6620e-01 A123 CA = 55.0(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7175e-01 A123 CB = 17.9(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.8882e-01 A123 H = 7.86(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.7094e-01 A123 HA = 4.06(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.3394e-01 A123 N = 121.7(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.7923e-01 R124 CA = 58.7(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.6775e-01 R124 CB = 30.2(D), Expected = 30.66, Std = 1.7700, ChiSquare = 7.9495e-01 R124 H = 8.08(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.8973e-01 R124 HA = 4.07(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4944e-01 R124 N = 119.5(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.7594e-01 E125 CA = 60.1(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.2105e-01 E125 CB = 29.0(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.6089e-01 E125 H = 8.68(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.7727e-01 E125 HA = 3.58(D), Expected = 4.26, Std = 0.4300, ChiSquare = 1.1379e-01 E125 N = 122.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.8307e-01 R126 CA = 58.3(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.7537e-01 R126 CB = 30.7(D), Expected = 30.66, Std = 1.7700, ChiSquare = 9.8197e-01 R126 H = 7.39(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.5658e-01 R126 HA = 4.09(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8247e-01 R126 N = 114.8(D), Expected = 120.61, Std = 3.9000, ChiSquare = 1.3629e-01 T127 CA = 63.0(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.5466e-01 T127 CB = 69.5(D), Expected = 69.64, Std = 1.7000, ChiSquare = 9.3437e-01 T127 H = 7.72(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.7503e-01 T127 HA = 4.05(D), Expected = 4.48, Std = 0.5000, ChiSquare = 3.8979e-01 T127 N = 108.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 1.5974e-01 H128 CA = 57.3(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.9839e-01 H128 CB = 32.2(D), Expected = 29.95, Std = 2.1500, ChiSquare = 2.9532e-01 H128 H = 8.45(D), Expected = 8.25, Std = 0.7400, ChiSquare = 7.8695e-01 H128 HA = 4.62(D), Expected = 4.62, Std = 0.5100, ChiSquare = 1.0000e+00 H128 N = 119.2(D), Expected = 119.44, Std = 4.5200, ChiSquare = 9.5765e-01 G129 CA = 44.0(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.4895e-01 G129 H = 8.07(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.1521e-01 G129 HA2 = 3.91(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.2034e-01 G129 HA3 = 4.34(D), Expected = 3.93, Std = 0.4000, ChiSquare = 3.0536e-01 G129 N = 109.2(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.6855e-01 L130 CA = 53.4(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0863e-01 L130 CB = 44.2(D), Expected = 42.37, Std = 1.8600, ChiSquare = 3.2518e-01 L130 H = 8.32(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.7773e-01 L130 HA = 4.80(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.0712e-01 L130 N = 118.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.2030e-01 S131 CA = 56.9(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.3085e-01 S131 CB = 65.5(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.7890e-01 S131 H = 9.32(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.6655e-02 S131 HA = 4.50(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.8145e-01 S131 N = 119.0(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.9426e-01 N132 CA = 56.9(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.3670e-02 N132 CB = 37.9(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.6940e-01 N132 H = 9.12(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.4856e-01 N132 HA = 4.30(D), Expected = 4.70, Std = 0.3900, ChiSquare = 3.0506e-01 N132 HD21 = 7.69(D), Expected = 7.27, Std = 0.5200, ChiSquare = 4.1927e-01 N132 HD22 = 6.93(D), Expected = 7.20, Std = 0.5200, ChiSquare = 6.0360e-01 N132 N = 119.8(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.7952e-01 E133 CA = 60.5(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.5961e-01 E133 CB = 28.9(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.2486e-01 E133 H = 8.82(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.3135e-01 E133 HA = 3.93(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.4282e-01 E133 N = 119.1(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.6767e-01 E134 CA = 58.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.9002e-01 E134 CB = 31.3(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.0383e-01 E134 H = 7.79(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.6725e-01 E134 HA = 4.05(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.2529e-01 E134 N = 121.6(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.0259e-01 R135 CA = 59.8(D), Expected = 56.95, Std = 2.4100, ChiSquare = 2.3698e-01 R135 CB = 29.5(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.1223e-01 R135 H = 8.61(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.3745e-01 R135 HA = 3.78(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.6544e-01 R135 N = 120.2(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.1627e-01 L136 CA = 57.6(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.7759e-01 L136 CB = 41.4(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.0201e-01 L136 H = 7.63(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.6404e-01 L136 HA = 4.16(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.3354e-01 L136 N = 120.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.7977e-01 E137 CA = 59.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.1953e-01 E137 CB = 29.1(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.9807e-01 E137 H = 7.99(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.6612e-01 E137 HA = 3.92(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.2912e-01 E137 N = 123.5(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.4350e-01 L138 CA = 58.0(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.8762e-01 L138 CB = 41.4(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.0201e-01 L138 H = 8.53(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.3342e-01 L138 HA = 3.98(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.6943e-01 L138 N = 120.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.6186e-01 W139 CA = 61.2(D), Expected = 57.71, Std = 2.6500, ChiSquare = 1.8784e-01 W139 CB = 28.7(D), Expected = 30.16, Std = 2.1900, ChiSquare = 5.0499e-01 W139 H = 8.28(D), Expected = 8.35, Std = 0.8400, ChiSquare = 9.3359e-01 W139 HA = 4.21(D), Expected = 4.74, Std = 0.5500, ChiSquare = 3.3523e-01 W139 HE1 = 10.06(D), Expected = 10.13, Std = 0.5300, ChiSquare = 8.9492e-01 W139 N = 119.4(D), Expected = 121.87, Std = 4.5800, ChiSquare = 5.8968e-01 T140 CA = 67.0(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.4572e-02 T140 CB = 68.9(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.6335e-01 T140 H = 8.34(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.1011e-01 T140 HA = 3.66(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.0101e-01 T140 N = 116.2(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.2113e-01 L141 CA = 58.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.6760e-01 L141 CB = 42.1(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.8458e-01 L141 H = 8.50(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.6664e-01 L141 HA = 3.97(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.5646e-01 L141 N = 123.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.7258e-01 N142 CA = 55.3(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.3509e-01 N142 CB = 37.4(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.7903e-01 N142 H = 8.63(D), Expected = 8.37, Std = 0.6500, ChiSquare = 6.8916e-01 N142 HA = 4.22(D), Expected = 4.70, Std = 0.3900, ChiSquare = 2.1841e-01 N142 HD21 = 7.29(D), Expected = 7.27, Std = 0.5200, ChiSquare = 9.6932e-01 N142 HD22 = 6.30(D), Expected = 7.20, Std = 0.5200, ChiSquare = 8.3493e-02 N142 N = 117.3(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.7885e-01 Q143 CA = 57.8(D), Expected = 56.62, Std = 2.1900, ChiSquare = 5.9002e-01 Q143 CB = 28.6(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.9964e-01 Q143 H = 7.55(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.7985e-01 Q143 HA = 3.80(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.7531e-01 Q143 HE21 = 6.64(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.4925e-01 Q143 HE22 = 6.41(D), Expected = 7.07, Std = 0.4900, ChiSquare = 1.7800e-01 Q143 N = 117.8(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.9703e-01 E144 CA = 58.3(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.8781e-01 E144 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E144 H = 7.96(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.3332e-01 E144 HA = 3.96(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.8538e-01 E144 N = 119.5(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.4847e-01 L145 CA = 55.9(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.0993e-01 L145 CB = 41.7(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.1869e-01 L145 H = 8.24(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.7545e-01 L145 HA = 4.09(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.2459e-01 L145 N = 118.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.5302e-01 A146 CA = 53.0(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.3809e-01 A146 CB = 18.7(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.1391e-01 A146 H = 7.28(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2519e-01 A146 HA = 4.13(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.5692e-01 A146 N = 121.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.5955e-01 K147 CA = 56.1(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.4224e-01 K147 CB = 32.7(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4487e-01 K147 H = 7.61(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.4053e-01 K147 N = 118.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.8240e-01 K148 H = 7.61(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.4053e-01 K148 N = 126.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.6254e-01