Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.93 M 0.06 C Shift Assignments>> CA :: 51.782 CB :: 19.365 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.14 F 0.07 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 175.951 CA :: 53.009(D) CB :: 38.273(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.799 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.055 Ave N Shift Values>> N :: 120.65(3.86) 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.856 CA :: 52.761(D) CB :: 19.199(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.490(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.480(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.21 W 0.21 E 0.2 M 0.08 I 0.01 L 0.01 HN Overlap>> 1.N9 1.D69 1.N9 1.D69 C Shift Assignments>> C :: 176.115 CA :: 55.950(D) CB :: 29.514(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.309(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.604(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.28 Q 0.25 W 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 176.396 CA :: 56.353(D) CB :: 33.144(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.269(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.819(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.661 CA :: 52.518(D) CB :: 19.273(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.533(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 HN Overlap>> 1.K87 1.K87 C Shift Assignments>> C :: 177.564 CA :: 52.580(D) CB :: 19.232(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.279(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.313(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.73 D 0.12 F 0.06 L 0.02 M 0.02 E 0.01 C Shift Assignments>> C :: 176.098 CA :: 52.761(D) CB :: 38.104(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.359(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.903(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.25 F 0.09 L 0.07 HN Overlap>> 1.D69 1.Q4 1.D69 1.Q4 C Shift Assignments>> C :: 175.273 CA :: 53.298(D) CB :: 39.113(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.309(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.604(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.28 Q 0.23 W 0.08 E 0.06 V 0.03 C Shift Assignments>> C :: 176.344 CA :: 56.383(D) CB :: 32.978(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.126(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.379(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.38 K 0.26 Q 0.18 W 0.09 E 0.05 C Shift Assignments>> C :: 174.473 CA :: 54.266(D) CB :: 32.670(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.263(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.129(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.47 V 0.45 W 0.03 I 0.01 K 0.01 C Shift Assignments>> C :: 177.004 CA :: 63.016(D) CB :: 32.073 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.56 P 0.34 W 0.03 K 0.02 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> C :: 176.024 CA :: 62.527(D) CB :: 32.816(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.220(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.349(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 D 0.22 F 0.08 L 0.06 C Shift Assignments>> C :: 175.070 CA :: 52.991(D) CB :: 38.928(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.384(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.737(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.052 CA :: 58.569(D) CB :: 63.678(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.177(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.157(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.23 E 0.23 Q 0.2 K 0.19 M 0.05 I 0.04 V 0.01 C Shift Assignments>> C :: 176.249 CA :: 57.674(D) CB :: 29.562(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.112(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.736(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.271 CA :: 61.773(D) CB :: 69.957(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.806(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.974(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.934 CA :: 58.889(D) CB :: 63.605(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.152(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.290(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.24 W 0.18 E 0.16 L 0.07 M 0.03 I 0.03 HN Overlap>> 1.W82 1.W82 C Shift Assignments>> C :: 176.339 CA :: 56.224(D) CB :: 28.549(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.171(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.252(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.72 D 0.1 F 0.07 E 0.03 M 0.03 L 0.02 HN Overlap>> 1.N41 1.N41 C Shift Assignments>> C :: 176.036 CA :: 53.048(D) CB :: 37.843(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.202(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.089(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.54 I 0.24 D 0.08 L 0.07 N 0.02 E 0.01 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> C :: 175.494 CA :: 58.176(D) CB :: 39.287(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.964(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.319(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 D 0.24 K 0.22 F 0.1 N 0.02 G 0.01 C Shift Assignments>> C :: 176.520 CA :: 55.160(D) CB :: 42.437(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.906(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.785(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.12 C Shift Assignments>> C :: 177.551 CA :: 52.716(D) CB :: 19.084(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.010(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.368(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.36 W 0.03 K 0.02 C Shift Assignments>> C :: 175.818 CA :: 62.579(D) CB :: 32.734(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.902(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.997(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 D 0.16 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 176.603 CA :: 53.340(D) CB :: 38.427(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.396(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.201(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 K 0.24 W 0.18 E 0.17 L 0.05 M 0.04 I 0.02 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> C :: 176.633 CA :: 55.900(D) CB :: 28.794(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.192(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.643(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.193 CA :: 58.374(D) CB :: 63.672(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.130(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.997(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.52 I 0.16 D 0.13 L 0.12 N 0.03 K 0.01 C Shift Assignments>> C :: 175.081 CA :: 57.761(D) CB :: 39.730(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.698(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.485(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.28 K 0.21 W 0.21 E 0.13 M 0.11 L 0.03 C Shift Assignments>> C :: 173.431 CA :: 53.198(D) CB :: 29.400(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.123(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.422(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.49 V 0.45 W 0.02 I 0.01 C Shift Assignments>> C :: 177.050 CA :: 63.321(D) CB :: 32.107(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.317 CA :: 61.759(D) CB :: 69.807(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.091(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.663(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.616 CA :: 52.668(D) CB :: 19.362(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.254(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.411(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.53 P 0.38 W 0.03 K 0.01 C Shift Assignments>> C :: 176.721 CA :: 62.741(D) CB :: 32.684(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.060(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.246(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.11 F 0.01 C Shift Assignments>> C :: 173.950 CA :: 45.191 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.325(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.758(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.54 I 0.23 L 0.08 D 0.08 N 0.02 HN Overlap>> 1.F21 1.F21 1.I62 1.I62 C Shift Assignments>> C :: 175.734 CA :: 58.208(D) CB :: 39.502(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.034(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.380(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.12 HN Overlap>> 1.A72 1.A72 C Shift Assignments>> C :: 177.697 CA :: 52.836(D) CB :: 19.203(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.193(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.791(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.24 W 0.18 E 0.17 L 0.05 M 0.04 I 0.02 HN Overlap>> 1.D76 1.D76 C Shift Assignments>> C :: 176.543 CA :: 56.193(D) CB :: 28.732(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.076(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.905(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.870 CA :: 52.786(D) CB :: 19.222(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.143(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.284(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 K 0.26 D 0.22 F 0.12 N 0.02 HN Overlap>> 1.F74 1.V52 1.F74 1.V52 C Shift Assignments>> C :: 177.302 CA :: 55.538(D) CB :: 42.259(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.058(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.621(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 D 0.21 F 0.09 L 0.06 M 0.01 C Shift Assignments>> C :: 174.967 CA :: 53.399(D) CB :: 38.786(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.235(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.433(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 D 0.21 F 0.09 L 0.06 M 0.01 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 175.322 CA :: 53.400(D) CB :: 38.789(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.247(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.004(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 M 0.28 Q 0.17 W 0.12 E 0.09 V 0.03 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 176.300 CA :: 56.701(D) CB :: 32.589(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.192 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.643 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.71 D 0.13 F 0.07 L 0.03 E 0.02 M 0.02 C Shift Assignments>> C :: 175.668 CA :: 53.007(D) CB :: 38.120(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.274(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.551(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.38 K 0.26 Q 0.17 W 0.1 E 0.06 C Shift Assignments>> C :: 174.488 CA :: 54.367(D) CB :: 32.575 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.036(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.242(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.48 V 0.45 W 0.02 I 0.01 C Shift Assignments>> C :: 177.340 CA :: 63.255(D) CB :: 32.111(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.24 W 0.18 E 0.17 L 0.05 M 0.04 I 0.02 C Shift Assignments>> C :: 176.458 CA :: 56.140(D) CB :: 28.746(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.454(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.361(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.72 D 0.12 F 0.07 L 0.02 E 0.02 M 0.02 C Shift Assignments>> C :: 175.979 CA :: 52.941(D) CB :: 38.094(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.394(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.490(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.1 C Shift Assignments>> C :: 177.542 CA :: 52.786(D) CB :: 19.302(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.161(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.402(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.36 W 0.03 K 0.02 C Shift Assignments>> C :: 176.120 CA :: 62.506(D) CB :: 32.707(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.975(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.068(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.4 D 0.24 K 0.2 F 0.09 N 0.02 G 0.01 HN Overlap>> 1.V63 1.V63 C Shift Assignments>> C :: 176.957 CA :: 55.041(D) CB :: 42.569(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.173(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.206(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.7 D 0.14 F 0.07 L 0.03 M 0.01 E 0.01 HN Overlap>> 1.D88 1.D88 C Shift Assignments>> C :: 176.435 CA :: 52.844(D) CB :: 38.332(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.403(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.206(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.36 W 0.03 K 0.02 HN Overlap>> 1.L39 1.F74 1.L39 1.F74 C Shift Assignments>> C :: 176.445 CA :: 62.475(D) CB :: 32.685(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.072(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.683(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.21 W 0.2 E 0.2 M 0.07 I 0.01 L 0.01 C Shift Assignments>> C :: 176.604 CA :: 56.101(D) CB :: 29.459(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.404(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.462(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.066 CA :: 45.333(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.322(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.911(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 F 0.32 C Shift Assignments>> C :: 176.076 CA :: 60.953(D) CB :: 38.933(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.917(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.952(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.745 CA :: 52.466(D) CB :: 19.338(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.388(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.243(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.409 CA :: 61.826(D) CB :: 69.800(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.136(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.704(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.58 P 0.27 W 0.04 K 0.03 Q 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 175.929 CA :: 62.118(D) CB :: 32.969(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.182(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.039(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.M89 1.M89 C Shift Assignments>> C :: 172.657 CA :: 59.759(D) CB :: 69.586(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.276(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.437(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.47 P 0.47 W 0.02 I 0.01 C Shift Assignments>> C :: 176.470 CA :: 63.193(D) CB :: 32.281(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.804 CA :: 52.695(D) CB :: 19.139(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.304(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.251(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 F 0.34 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> C :: 176.326 CA :: 61.135(D) CB :: 39.512(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.083(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.443(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.35 W 0.03 K 0.02 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 176.154 CA :: 62.506(D) CB :: 32.724(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.191(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.216(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.21 W 0.2 E 0.2 M 0.07 I 0.01 L 0.01 C Shift Assignments>> C :: 175.646 CA :: 55.848(D) CB :: 29.469(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.462(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.768(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.856 CA :: 52.847(D) CB :: 19.266(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.385(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.764(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.084 CA :: 58.526(D) CB :: 63.811(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.327(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.910(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.843 CA :: 62.359(D) CB :: 69.556(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.149(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.582(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.24 K 0.22 E 0.2 W 0.2 M 0.06 I 0.02 L 0.01 HN Overlap>> 1.K70 1.K70 C Shift Assignments>> C :: 175.811 CA :: 56.487(D) CB :: 29.291(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.275(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.884(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.69 D 0.12 F 0.08 E 0.03 L 0.03 M 0.02 HN Overlap>> 1.N9 1.N9 1.Q4 1.Q4 C Shift Assignments>> C :: 176.472 CA :: 53.297(D) CB :: 38.007(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.366(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.653(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 M 0.28 Q 0.2 W 0.1 E 0.07 V 0.03 HN Overlap>> 1.Q68 1.Q68 C Shift Assignments>> C :: 176.896 CA :: 56.720(D) CB :: 32.835(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.252(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.903(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 K 0.23 W 0.2 E 0.2 M 0.06 I 0.02 L 0.01 HN Overlap>> 1.V13 1.V13 C Shift Assignments>> C :: 176.024 CA :: 56.187(D) CB :: 29.281(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.236(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.406(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.13 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 177.446 CA :: 52.943(D) CB :: 19.108(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.214(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.793(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.2 F 0.08 L 0.05 M 0.01 C Shift Assignments>> C :: 175.130 CA :: 53.115(D) CB :: 38.727(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.224(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.200(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.54 I 0.26 D 0.07 L 0.07 N 0.02 E 0.01 HN Overlap>> 1.L39 1.L39 1.V52 1.V52 C Shift Assignments>> C :: 175.824 CA :: 58.297(D) CB :: 39.239(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.072(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.683(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 M 0.28 Q 0.19 W 0.1 E 0.07 V 0.03 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 176.089 CA :: 56.602(D) CB :: 32.769(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.112(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.774(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.68 D 0.14 F 0.08 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 176.226 CA :: 53.200(D) CB :: 38.241(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.176(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.915(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 K 0.28 Q 0.24 W 0.08 E 0.05 V 0.03 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 176.749 CA :: 56.581(D) CB :: 33.068(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.150(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.827(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.31 W 0.03 K 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 176.336 CA :: 62.356(D) CB :: 32.887(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.984(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.853(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 M 0.28 Q 0.22 W 0.09 E 0.06 V 0.03 C Shift Assignments>> C :: 177.012 CA :: 56.775(D) CB :: 32.966(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.354(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.369(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.1 F 0.01 C Shift Assignments>> C :: 174.187 CA :: 45.285(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.225(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.706(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 K 0.24 W 0.18 E 0.17 L 0.06 M 0.04 I 0.02 C Shift Assignments>> C :: 176.775 CA :: 56.068(D) CB :: 28.662(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.082(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.677(D) Ave N Shift Values>> N :: 120.67(3.48) 1.W82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.22 E 0.22 Q 0.21 K 0.21 M 0.05 I 0.04 L 0.01 HN Overlap>> 1.E19 1.E19 C Shift Assignments>> C :: 176.239 CA :: 57.418(D) CB :: 29.381(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.092(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.255(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.11 F 0.07 E 0.02 L 0.02 M 0.02 C Shift Assignments>> C :: 176.075 CA :: 53.035(D) CB :: 37.996(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.116 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.033 Ave N Shift Values>> N :: 120.65(3.86) 1.K84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 M 0.29 Q 0.22 W 0.09 E 0.06 V 0.03 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> C :: 176.585 CA :: 56.543(D) CB :: 32.904(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.938(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.178(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 F 0.28 E 0.01 HN Overlap>> 1.K84 1.K84 C Shift Assignments>> C :: 176.183 CA :: 61.148(D) CB :: 38.642(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.896(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.231(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.42 Q 0.21 K 0.2 W 0.06 P 0.05 E 0.02 C Shift Assignments>> C :: 176.183 CA :: 52.604(D) CB :: 33.093(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.281(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.893(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 K 0.28 Q 0.26 W 0.07 E 0.04 V 0.02 HN Overlap>> 1.A7 1.A7 C Shift Assignments>> C :: 176.005 CA :: 56.140(D) CB :: 33.165(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.312 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.311 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.48 F 0.18 D 0.15 E 0.06 L 0.04 M 0.03 I 0.02 HN Overlap>> 1.D51 1.D51 C Shift Assignments>> C :: 175.061 CA :: 54.745(D) CB :: 38.145(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.445(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.164(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.42 K 0.23 Q 0.19 W 0.08 E 0.03 P 0.01 HN Overlap>> 1.T59 1.T59 C Shift Assignments>> C :: 180.717 CA :: 53.111(D) CB :: 32.799(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.252(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.437(D) Ave N Shift Values>> N :: 120.09(3.57) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 88 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 89 #Suspicious: 0 C Shift Results: #Consistent: 93 #Duplicate: 170 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 4 #Duplicate: 80 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 4 #Duplicate: 80 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D2 CA = 53.009(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.0763e-01 1.D2 CB = 38.273(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.0756e-01 1.A3 CA = 52.761(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.4820e-01 1.A3 CB = 19.199(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1774e-01 1.A3 H = 8.490(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2886e-01 1.A3 N = 125.480(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.2504e-01 1.Q4 CA = 55.950(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7203e-01 1.Q4 CB = 29.514(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5871e-01 1.Q4 H = 8.309(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8010e-01 1.Q4 N = 119.604(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3668e-01 1.K5 CA = 56.353(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.8611e-01 1.K5 CB = 33.144(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.4236e-01 1.K5 H = 8.269(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.9525e-01 1.K5 N = 122.819(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3890e-01 1.A6 CA = 52.518(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5341e-01 1.A6 CB = 19.273(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8573e-01 1.A6 H = 8.290(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8076e-01 1.A6 N = 125.533(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1533e-01 1.A7 CA = 52.580(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.7731e-01 1.A7 CB = 19.232(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0344e-01 1.A7 H = 8.279(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9525e-01 1.A7 N = 123.313(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8129e-01 1.D8 CA = 52.761(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4199e-01 1.D8 CB = 38.104(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6606e-02 1.D8 H = 8.359(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3267e-01 1.D8 N = 117.903(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.7668e-01 1.N9 CA = 53.298(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9758e-01 1.N9 CB = 39.113(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.0236e-01 1.N9 H = 8.309(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6076e-01 1.N9 N = 119.604(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.6718e-01 1.K10 CA = 56.383(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9662e-01 1.K10 CB = 32.978(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1589e-01 1.K10 H = 8.126(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1505e-01 1.K10 N = 121.379(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3046e-01 1.K11 CA = 54.266(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2246e-01 1.K11 CB = 32.670(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4625e-01 1.K11 H = 8.263(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0316e-01 1.K11 N = 124.129(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1409e-01 1.P12 CA = 63.016(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.3634e-01 1.V13 CA = 62.527(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8968e-01 1.V13 CB = 32.816(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6168e-01 1.V13 H = 8.220(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.1679e-01 1.V13 N = 120.349(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6169e-01 1.N14 CA = 52.991(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.7027e-01 1.N14 CB = 38.928(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8801e-01 1.N14 H = 8.384(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4432e-01 1.N14 N = 121.737(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.8610e-01 1.S15 CA = 58.569(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4185e-01 1.S15 CB = 63.678(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.3430e-01 1.S15 H = 8.177(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.6141e-01 1.S15 N = 116.157(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.7213e-01 1.W16 CA = 57.674(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.9567e-01 1.W16 CB = 29.562(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.2362e-01 1.W16 H = 8.112(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.2173e-01 1.W16 N = 122.736(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.0055e-01 1.T17 CA = 61.773(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.6298e-01 1.T17 CB = 69.957(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.8924e-01 1.T17 H = 7.806(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8393e-01 1.T17 N = 114.974(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2519e-01 1.S18 CA = 58.889(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3493e-01 1.S18 CB = 63.605(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9518e-01 1.S18 H = 8.152(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2825e-01 1.S18 N = 117.290(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7416e-01 1.E19 CA = 56.224(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0000e-01 1.E19 CB = 28.549(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9565e-01 1.E19 H = 8.171(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.8755e-01 1.E19 N = 121.252(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6718e-01 1.D20 CA = 53.048(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1859e-01 1.D20 CB = 37.843(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.0835e-02 1.D20 H = 8.202(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5228e-01 1.D20 N = 119.089(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8592e-01 1.F21 CA = 58.176(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.7020e-01 1.F21 CB = 39.287(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.3660e-01 1.F21 H = 7.964(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.8232e-01 1.F21 N = 120.319(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7500e-01 1.L22 CA = 55.160(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.2902e-01 1.L22 CB = 42.437(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.4614e-01 1.L22 H = 7.906(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1816e-01 1.L22 N = 122.785(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1252e-01 1.A23 CA = 52.716(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.3044e-01 1.A23 CB = 19.084(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6774e-01 1.A23 H = 8.010(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5150e-01 1.A23 N = 124.368(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4785e-01 1.V24 CA = 62.579(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7517e-01 1.V24 CB = 32.734(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9822e-01 1.V24 H = 7.902(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6252e-01 1.V24 N = 117.997(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8875e-01 1.D25 CA = 53.340(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.0603e-01 1.D25 CB = 38.427(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.2998e-01 1.D25 H = 8.396(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8213e-01 1.D25 N = 121.201(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8649e-01 1.E26 CA = 55.900(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9687e-01 1.E26 CB = 28.794(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.7958e-01 1.E26 H = 8.192(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1506e-01 1.E26 N = 120.643(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9381e-01 1.S27 CA = 58.374(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6725e-01 1.S27 CB = 63.672(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.3108e-01 1.S27 H = 8.130(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9931e-01 1.S27 N = 115.997(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3592e-01 1.F28 CA = 57.761(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.0122e-01 1.F28 CB = 39.730(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.0100e-01 1.F28 H = 8.698(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3875e-01 1.F28 N = 121.485(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.0444e-01 1.Q29 CA = 53.198(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.1509e-01 1.Q29 CB = 29.400(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0814e-01 1.Q29 H = 8.123(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.6941e-01 1.Q29 N = 123.422(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.2654e-01 1.P30 CA = 63.321(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.9528e-01 1.P30 CB = 32.107(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.2759e-01 1.T31 CA = 61.759(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5873e-01 1.T31 CB = 69.807(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.6232e-01 1.T31 H = 8.091(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.1008e-01 1.T31 N = 113.663(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1146e-01 1.A32 CA = 52.668(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1158e-01 1.A32 CB = 19.362(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4747e-01 1.A32 H = 8.254(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2829e-01 1.A32 N = 126.411(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.6887e-01 1.V33 CA = 62.741(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3007e-01 1.V33 CB = 32.684(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.7950e-01 1.V33 H = 8.060(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3138e-01 1.V33 N = 119.246(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7655e-01 1.G34 H = 8.325(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.9386e-01 1.G34 N = 111.758(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8952e-01 1.F35 CA = 58.208(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.6028e-01 1.F35 CB = 39.502(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.1538e-01 1.F35 H = 8.034(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5071e-01 1.F35 N = 120.380(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.8664e-01 1.A36 CA = 52.836(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7798e-01 1.A36 CB = 19.203(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1601e-01 1.A36 H = 8.193(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9069e-01 1.A36 N = 124.791(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5924e-01 1.E37 CA = 56.193(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8972e-01 1.E37 CB = 28.732(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5747e-01 1.E37 H = 8.076(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6683e-01 1.E37 N = 118.905(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.1203e-01 1.A38 CA = 52.786(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5810e-01 1.A38 CB = 19.222(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0777e-01 1.A38 H = 8.143(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2432e-01 1.A38 N = 124.284(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.6590e-01 1.L39 CA = 55.538(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6929e-01 1.L39 CB = 42.259(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7836e-01 1.L39 H = 8.058(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9131e-01 1.L39 N = 120.621(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5072e-01 1.N40 CA = 53.399(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4021e-01 1.N40 CB = 38.786(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.5470e-01 1.N40 H = 8.235(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6763e-01 1.N40 N = 118.433(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0185e-01 1.N41 CA = 53.400(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4064e-01 1.N41 CB = 38.789(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.5329e-01 1.N41 H = 8.247(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.8264e-01 1.N41 N = 119.004(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8535e-01 1.K42 CA = 56.701(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0989e-01 1.K42 CB = 32.589(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1009e-01 1.D43 CA = 53.007(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.0707e-01 1.D43 CB = 38.120(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.8436e-02 1.D43 H = 8.274(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5051e-01 1.D43 N = 118.551(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.8659e-01 1.K44 CA = 54.367(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4036e-01 1.K44 H = 8.036(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9744e-01 1.K44 N = 122.242(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.5187e-01 1.P45 CA = 63.255(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.6065e-01 1.P45 CB = 32.111(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.2495e-01 1.E46 CA = 56.140(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.7235e-01 1.E46 CB = 28.746(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6241e-01 1.E46 H = 8.454(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3354e-01 1.E46 N = 120.361(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2925e-01 1.D47 CA = 52.941(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.8892e-01 1.D47 CB = 38.094(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5477e-02 1.D47 H = 8.394(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8485e-01 1.D47 N = 119.490(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6378e-01 1.A48 CA = 52.786(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5810e-01 1.A48 CB = 19.302(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7323e-01 1.A48 H = 8.161(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4817e-01 1.A48 N = 124.402(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4059e-01 1.V49 CA = 62.506(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9554e-01 1.V49 CB = 32.707(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8975e-01 1.V49 H = 7.975(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3825e-01 1.V49 N = 119.068(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.4811e-01 1.L50 CA = 55.041(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8575e-01 1.L50 CB = 42.569(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9043e-01 1.L50 H = 8.173(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3012e-01 1.L50 N = 125.206(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9092e-01 1.D51 CA = 52.844(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6316e-01 1.D51 CB = 38.332(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.1576e-01 1.D51 H = 8.403(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.7261e-01 1.D51 N = 120.206(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0842e-01 1.V52 CA = 62.475(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9582e-01 1.V52 CB = 32.685(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.7994e-01 1.V52 H = 8.072(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4490e-01 1.V52 N = 120.683(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1982e-01 1.Q53 CA = 56.101(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2653e-01 1.Q53 CB = 29.459(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8250e-01 1.Q53 H = 8.404(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5514e-01 1.Q53 N = 123.462(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.2109e-01 1.G54 CA = 45.333(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8988e-01 1.G54 H = 8.322(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.9018e-01 1.G54 N = 109.911(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5034e-01 1.I55 CA = 60.953(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0634e-01 1.I55 CB = 38.933(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.8076e-01 1.I55 H = 7.917(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.9346e-01 1.I55 N = 119.952(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2459e-01 1.A56 CA = 52.466(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3355e-01 1.A56 CB = 19.338(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5775e-01 1.A56 H = 8.388(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5403e-01 1.A56 N = 128.243(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5675e-01 1.T57 CA = 61.826(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7909e-01 1.T57 CB = 69.800(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.6575e-01 1.T57 H = 8.136(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6679e-01 1.T57 N = 114.704(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.8018e-01 1.V58 CA = 62.118(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9651e-01 1.V58 CB = 32.969(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.9378e-01 1.V58 H = 8.182(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7194e-01 1.V58 N = 123.039(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7574e-01 1.T59 CA = 59.759(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.4201e-01 1.T59 CB = 69.586(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.2960e-01 1.T59 H = 8.276(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5370e-01 1.T59 N = 121.437(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.0525e-01 1.P60 CA = 63.193(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.2818e-01 1.P60 CB = 32.281(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.1492e-01 1.A61 CA = 52.695(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2218e-01 1.A61 CB = 19.139(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4380e-01 1.A61 H = 8.304(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6239e-01 1.A61 N = 124.251(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7303e-01 1.I62 CA = 61.135(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.5932e-01 1.I62 CB = 39.512(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.6238e-01 1.I62 H = 8.083(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7204e-01 1.I62 N = 120.443(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1218e-01 1.V63 CA = 62.506(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9554e-01 1.V63 CB = 32.724(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9733e-01 1.V63 H = 8.191(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8253e-01 1.V63 N = 125.216(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6929e-01 1.Q64 CA = 55.848(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3583e-01 1.Q64 CB = 29.469(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.7816e-01 1.Q64 H = 8.462(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8168e-01 1.Q64 N = 124.768(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.7542e-01 1.A65 CA = 52.847(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8236e-01 1.A65 CB = 19.266(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8875e-01 1.A65 H = 8.385(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5783e-01 1.A65 N = 125.764(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7410e-01 1.S66 CA = 58.526(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2533e-01 1.S66 CB = 63.811(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.9407e-01 1.S66 H = 8.327(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3651e-01 1.S66 N = 114.910(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.9712e-01 1.T67 CA = 62.359(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5720e-01 1.T67 CB = 69.556(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.1499e-01 1.T67 H = 8.149(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8331e-01 1.T67 N = 115.582(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.7279e-01 1.Q68 CA = 56.487(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.6906e-01 1.Q68 CB = 29.291(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.5574e-01 1.Q68 H = 8.275(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2573e-01 1.Q68 N = 121.884(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.7965e-01 1.D69 CA = 53.297(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9258e-01 1.D69 CB = 38.007(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6153e-02 1.D69 H = 8.366(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2308e-01 1.D69 N = 119.653(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9618e-01 1.K70 CA = 56.720(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1674e-01 1.K70 CB = 32.835(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7983e-01 1.K70 H = 8.252(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1770e-01 1.K70 N = 121.903(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2100e-01 1.Q71 CA = 56.187(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.5796e-01 1.Q71 CB = 29.281(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.6012e-01 1.Q71 H = 8.236(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7837e-01 1.Q71 N = 120.406(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.8603e-01 1.A72 CA = 52.943(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.2075e-01 1.A72 CB = 19.108(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.5729e-01 1.A72 H = 8.214(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8138e-01 1.A72 N = 124.793(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5883e-01 1.N73 CA = 53.115(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2115e-01 1.N73 CB = 38.727(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.8253e-01 1.N73 H = 8.224(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.5391e-01 1.N73 N = 117.200(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.6772e-01 1.F74 CA = 58.297(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.3271e-01 1.F74 CB = 39.239(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.1935e-01 1.F74 H = 8.072(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.8916e-01 1.F74 N = 120.683(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.5555e-01 1.K75 CA = 56.602(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7431e-01 1.K75 CB = 32.769(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9059e-01 1.K75 H = 8.112(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.9657e-01 1.K75 N = 121.774(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4771e-01 1.D76 CA = 53.200(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.6295e-01 1.D76 CB = 38.241(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.0331e-01 1.D76 H = 8.176(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.1729e-01 1.D76 N = 118.915(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5308e-01 1.K77 CA = 56.581(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.6680e-01 1.K77 CB = 33.068(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7589e-01 1.K77 H = 8.150(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4685e-01 1.K77 N = 121.827(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3671e-01 1.V78 CA = 62.356(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6263e-01 1.V78 CB = 32.887(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.3011e-01 1.V78 H = 7.984(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.4787e-01 1.V78 N = 120.853(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4959e-01 1.K79 CA = 56.775(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.3660e-01 1.K79 CB = 32.966(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2124e-01 1.K79 H = 8.354(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8460e-01 1.K79 N = 125.369(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5195e-01 1.G80 CA = 45.285(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6131e-01 1.G80 H = 8.225(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7167e-01 1.G80 N = 109.706(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9258e-01 1.E81 CA = 56.068(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4914e-01 1.E81 CB = 28.662(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.3320e-01 1.E81 H = 8.082(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7424e-01 1.E81 N = 119.677(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7538e-01 1.W82 CA = 57.418(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.2527e-01 1.W82 CB = 29.381(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.5433e-01 1.W82 H = 8.092(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.0210e-01 1.W82 N = 121.255(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.1902e-01 1.D83 CA = 53.035(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1492e-01 1.D83 CB = 37.996(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.5036e-02 1.K84 CA = 56.543(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5323e-01 1.K84 CB = 32.904(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4893e-01 1.K84 H = 7.938(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7449e-01 1.K84 N = 121.178(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.7292e-01 1.I85 CA = 61.148(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.6313e-01 1.I85 CB = 38.642(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9526e-01 1.I85 H = 7.896(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7227e-01 1.I85 N = 121.231(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5733e-01 1.K86 CA = 52.604(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8217e-02 1.K86 CB = 33.093(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6483e-01 1.K86 H = 8.281(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7945e-01 1.K86 N = 125.893(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.9893e-01 1.K87 CA = 56.140(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1274e-01 1.K87 CB = 33.165(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3314e-01 1.D88 CA = 54.745(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.7839e-01 1.D88 CB = 38.145(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.1359e-02 1.D88 H = 8.445(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.1595e-01 1.D88 N = 120.164(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9981e-01 1.M89 CA = 53.111(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.7868e-01 1.M89 CB = 32.799(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.3205e-01 1.M89 H = 8.252(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8936e-01 1.M89 N = 121.437(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.0594e-01