Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.82 M 0.16 C Shift Assignments>> C :: 177.903(D) CA :: 53.259(D) CB :: 19.087(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.R4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.14 R 0.14 W 0.14 E 0.13 M 0.05 C Shift Assignments>> C :: 175.497(D) CA :: 55.569(D) CB :: 29.480(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.912(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.266(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.22 N 0.18 E 0.1 D 0.08 I 0.05 M 0.03 L 0.03 C Shift Assignments>> C :: 174.161(D) CA :: 56.039(D) CB :: 38.058(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 :: 8.082(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 :: 122.912(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 F 0.11 K 0.11 N 0.1 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.325 CA :: 54.626 CB :: 41.068 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 :: 8.266 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 :: 120.095 Ave N Shift Values>> N :: 120.65(3.86) 1.V7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 P 0.44 W 0.03 K 0.01 I 0.01 R 0.01 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> C :: 175.140(D) CA :: 62.856(D) CB :: 32.227(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 :: 7.909 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 :: 119.45 Ave N Shift Values>> N :: 121.14(4.54) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 R 0.25 D 0.16 G 0.11 F 0.03 K 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 173.587(D) CA :: 53.635(D) CB :: 43.489(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.353(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 :: 128.799(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.32 I 0.25 L 0.02 D 0.01 E 0.01 C Shift Assignments>> C :: 177.369(D) CA :: 59.143(D) CB :: 39.055(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 :: 8.382(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 :: 123.917(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.38 L 0.31 G 0.12 D 0.05 F 0.05 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.269(D) CA :: 43.622(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.151(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.088(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.29 R 0.09 N 0.09 K 0.08 F 0.04 G 0.02 Y 0.02 C Shift Assignments>> C :: 176.949(D) CA :: 51.986(D) CB :: 42.300(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 :: 7.893(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 :: 118.003(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 176.663(D) CA :: 54.260(D) CB :: 18.147(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.86 Ave N Shift Values>> N :: 123.23(3.54) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.42 L 0.29 G 0.06 D 0.06 F 0.05 K 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.380(D) CA :: 43.338(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.395(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.389(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 176.546(D) CA :: 52.956(D) CB :: 18.447(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.698(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.600(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.22 D 0.17 G 0.14 F 0.03 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 173.731(D) CA :: 53.102(D) CB :: 43.504(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 :: 9.693(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 :: 124.192(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 P 0.32 W 0.06 K 0.03 R 0.02 H 0.01 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 175.714(D) CA :: 62.026(D) CB :: 32.255(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 :: 8.608(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 :: 123.768(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.18 R 0.03 D 0.03 C Shift Assignments>> C :: 173.597(D) CA :: 53.089(D) CB :: 44.900(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 :: 8.762(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.081(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 D 0.34 L 0.1 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.185(D) CA :: 51.241(D) CB :: 40.312(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 :: 8.695(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 :: 121.313(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.264 CA :: 46.785(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.506(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.360(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 D 0.12 N 0.12 L 0.07 I 0.05 E 0.02 M 0.01 C Shift Assignments>> C :: 175.645(D) CA :: 56.414(D) CB :: 38.897(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 :: 8.051 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.507 Ave N Shift Values>> N :: 121.86(3.9) 1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 175.950(D) CA :: 53.298(D) CB :: 18.711(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.867(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.910(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 L 0.3 G 0.1 D 0.06 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 172.687(D) CA :: 43.530(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.950(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.811(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 E 0.1 M 0.09 Y 0.07 F 0.05 D 0.03 K 0.01 C Shift Assignments>> C :: 173.070(D) CA :: 52.931(D) CB :: 36.880(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 :: 9.342(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 :: 125.404(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.55 L 0.28 R 0.08 D 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.734(D) CA :: 54.310(D) CB :: 44.794(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.096(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 :: 122.481(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.67 P 0.09 I 0.09 K 0.03 Q 0.02 W 0.01 M 0.01 E 0.01 Y 0.01 HN Overlap>> 1.I85 1.T113 1.I85 1.T113 C Shift Assignments>> C :: 174.127(D) CA :: 62.397(D) CB :: 34.268(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.005(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 :: 123.575(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.16 R 0.01 D 0.01 C Shift Assignments>> C :: 174.923(D) CA :: 54.232(D) CB :: 45.418(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.272(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.690(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.D109 1.D109 C Shift Assignments>> C :: 175.161(D) CA :: 55.722(D) CB :: 64.937(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.615(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 :: 119.573(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.04 A 0.03 P 0.03 N 0.01 C Shift Assignments>> C :: 175.063(D) CA :: 47.487(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.029(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.284(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.46 L 0.27 R 0.16 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 173.533(D) CA :: 44.375(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.664(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.107(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.24 C Shift Assignments>> C :: 175.105(D) CA :: 52.559(D) CB :: 17.830(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.166(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.579(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.3 G 0.23 D 0.04 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.559(D) CA :: 43.938(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.968(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.867(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 D 0.25 F 0.16 Y 0.16 L 0.1 I 0.01 C Shift Assignments>> C :: 173.792(D) CA :: 54.853(D) CB :: 39.373(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 :: 8.905(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.363(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.18 R 0.02 D 0.02 C Shift Assignments>> C :: 174.712(D) CA :: 53.996(D) CB :: 45.236(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.272(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 :: 122.969(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.67 I 0.1 P 0.09 K 0.02 Q 0.01 W 0.01 Y 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 174.054(D) CA :: 62.545(D) CB :: 34.371(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 :: 8.908(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.391(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.28 R 0.2 D 0.09 F 0.03 Y 0.01 C Shift Assignments>> C :: 174.273(D) CA :: 54.023(D) CB :: 44.156(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 :: 8.295 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 :: 125.943 Ave N Shift Values>> N :: 121.86(3.9) 1.L36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.25 K 0.15 R 0.13 F 0.06 Y 0.04 N 0.03 C Shift Assignments>> C :: 175.464(D) CA :: 54.173(D) CB :: 42.350(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.066(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.223(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.894 CA :: 46.734(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.438(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.924(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.26 K 0.15 F 0.09 N 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 176.692 CA :: 54.347 CB :: 41.537 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 :: 8.281 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 :: 120.639 Ave N Shift Values>> N :: 120.65(3.86) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 W 0.17 H 0.16 R 0.15 Q 0.14 K 0.1 M 0.06 I 0.01 V 0.01 C Shift Assignments>> C :: 177.335 CA :: 57.386 CB :: 30.066 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 :: 8.619 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 :: 121.772 Ave N Shift Values>> N :: 120.67(3.48) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.31 G 0.14 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.969(D) CA :: 43.698(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.527 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.764 Ave N Shift Values>> N :: 109.67(3.87) 1.S41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.511 CA :: 56.965(D) CB :: 62.801(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.814(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 :: 120.157(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.32 R 0.13 D 0.06 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.492(D) CA :: 54.195(D) CB :: 44.515(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 :: 8.504 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 :: 122.394 Ave N Shift Values>> N :: 120.65(3.86) 1.L43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.39 L 0.33 R 0.15 D 0.07 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.930(D) CA :: 54.113(D) CB :: 44.412(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.461(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 :: 122.918(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.19 R 0.02 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.918(D) CA :: 55.947(D) CB :: 45.377(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.317(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.556(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.844(D) CA :: 56.974(D) CB :: 64.730(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.562(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 :: 114.057(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 173.798(D) CA :: 47.103(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.750(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.022(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.3 Y 0.21 F 0.18 D 0.12 E 0.05 L 0.04 I 0.02 M 0.02 HN Overlap>> 1.L92 1.L92 C Shift Assignments>> C :: 176.237 CA :: 55.228(D) CB :: 38.302(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 :: 7.246(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 :: 117.654(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 178.363 CA :: 52.885 CB :: 19.323 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.746 Ave N Shift Values>> N :: 123.23(3.54) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.29 R 0.22 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.852(D) CA :: 44.192(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.422 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8 Ave N Shift Values>> N :: 109.67(3.87) 1.N50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 Y 0.1 D 0.08 F 0.08 E 0.05 M 0.04 L 0.02 C Shift Assignments>> C :: 173.698(D) CA :: 53.611(D) CB :: 37.698(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 :: 9.518(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 :: 125.572(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.11 C Shift Assignments>> C :: 173.770(D) CA :: 53.486(D) CB :: 46.320(S) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.256(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 :: 122.036(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 D 0.23 F 0.18 Y 0.18 L 0.1 I 0.01 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 174.545(D) CA :: 55.101(D) CB :: 39.336(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 :: 8.856(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 :: 122.876(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.15 D 0.01 C Shift Assignments>> C :: 175.607(D) CA :: 54.119(D) CB :: 45.633(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.621(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 :: 125.480(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 F 0.04 I 0.03 R 0.02 Y 0.02 HN Overlap>> 1.W93 1.W93 C Shift Assignments>> C :: 176.621 CA :: 62.856(D) CB :: 44.315(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 :: 8.791(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 :: 123.557(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.874 CA :: 45.689 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.274 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.366 Ave N Shift Values>> N :: 109.67(3.87) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.343 CA :: 45.449 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.093 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.559 Ave N Shift Values>> N :: 109.67(3.87) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.16 E 0.14 W 0.14 R 0.14 K 0.14 M 0.05 I 0.01 C Shift Assignments>> C :: 176.525 CA :: 56.063 CB :: 29.584 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 :: 8.318 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 :: 119.562 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.869 CA :: 45.365 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.475 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.04 Ave N Shift Values>> N :: 109.67(3.87) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.25 K 0.15 F 0.09 N 0.07 Y 0.06 R 0.03 HN Overlap>> 1.R119 1.R119 C Shift Assignments>> C :: 176.318 CA :: 54.458 CB :: 41.481 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 :: 8.249 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 :: 120.523 Ave N Shift Values>> N :: 120.65(3.86) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 F 0.12 N 0.11 Y 0.09 K 0.09 C Shift Assignments>> C :: 176.812 CA :: 54.69 CB :: 40.925 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 :: 8.437 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 :: 120.981 Ave N Shift Values>> N :: 120.65(3.86) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.936 CA :: 63.278 CB :: 69.639 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 :: 8.132 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 :: 114.12 Ave N Shift Values>> N :: 115.42(4.75) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.29 I 0.19 E 0.06 D 0.02 L 0.01 N 0.01 M 0.01 HN Overlap>> 1.R124 1.R124 C Shift Assignments>> C :: 175.819 CA :: 58.365 CB :: 38.357 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.074 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.088 Ave N Shift Values>> N :: 120.52(4.2) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.19 D 0.19 R 0.14 F 0.09 Y 0.06 N 0.01 C Shift Assignments>> C :: 176.927 CA :: 55.347 CB :: 42.264 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 :: 7.837 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.016 Ave N Shift Values>> N :: 121.86(3.9) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 I 0.13 D 0.06 L 0.06 N 0.02 HN Overlap>> 1.V7 1.V7 C Shift Assignments>> C :: 176.355 CA :: 57.951 CB :: 39.446 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 :: 7.888 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 :: 119.417 Ave N Shift Values>> N :: 120.45(4.18) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.3 R 0.25 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 179.958(D) CA :: 44.098(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.125 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.86 Ave N Shift Values>> N :: 109.67(3.87) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.51 V 0.41 I 0.03 W 0.02 C Shift Assignments>> C :: 178.450(D) CA :: 64.195(D) CB :: 31.415(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 :: 8.320(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 :: 120.325(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 176.036(D) CA :: 45.324(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.220(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.863(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.35 I 0.18 L 0.04 D 0.03 C Shift Assignments>> C :: 177.201(D) CA :: 58.757(D) CB :: 39.683(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.615(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.348(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 172.323 CA :: 46.895(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.283(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.698(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 Q 0.17 R 0.15 W 0.13 K 0.13 M 0.07 E 0.07 L 0.01 C Shift Assignments>> C :: 174.579 CA :: 52.799 CB :: 29.421(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.303 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.052 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.3 R 0.13 K 0.07 N 0.06 G 0.04 F 0.03 Y 0.02 HN Overlap>> 1.E126 1.E126 C Shift Assignments>> C :: 174.713(D) CA :: 52.174(D) CB :: 42.601(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 :: 8.455(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.586(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.429(D) CA :: 61.514(D) CB :: 70.712(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 :: 8.828(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 :: 118.309(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 F 0.32 Y 0.29 K 0.02 L 0.02 C Shift Assignments>> C :: 173.031(D) CA :: 60.539(D) CB :: 40.396(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.251(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 :: 126.973(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.22 F 0.22 L 0.19 Y 0.18 K 0.07 N 0.06 I 0.02 C Shift Assignments>> C :: 177.208(D) CA :: 56.164(D) CB :: 40.570(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.569(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.251(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 E 0.15 W 0.15 Q 0.13 M 0.09 K 0.08 V 0.01 C Shift Assignments>> C :: 176.365 CA :: 56.583 CB :: 30.608 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 :: 8.304 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.832 Ave N Shift Values>> N :: 120.67(3.48) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.352 CA :: 58.7 CB :: 63.995 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.359 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 :: 116.963 Ave N Shift Values>> N :: 116.28(3.52) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.835 CA :: 45.519 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.508 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.069 Ave N Shift Values>> N :: 109.67(3.87) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 HN Overlap>> 1.G139 1.G139 C Shift Assignments>> C :: 174.728 CA :: 45.45 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.322 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.644 Ave N Shift Values>> N :: 109.67(3.87) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.G139 1.G139 C Shift Assignments>> C :: 174.723 CA :: 45.394 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.337 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.508 Ave N Shift Values>> N :: 109.67(3.87) 1.H80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.27 L 0.24 K 0.15 F 0.13 Y 0.1 N 0.06 R 0.01 C Shift Assignments>> C :: 174.633(D) CA :: 55.285(D) CB :: 41.195 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.T82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.906(D) CA :: 61.861(D) CB :: 71.064(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.200(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 :: 118.025(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.23 K 0.19 I 0.15 L 0.06 R 0.04 D 0.01 HN Overlap>> 1.A87 1.A87 C Shift Assignments>> C :: 174.657 CA :: 60.009(D) CB :: 41.609(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 :: 8.102 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 :: 123.126 Ave N Shift Values>> N :: 121.46(4.28) 1.R84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 M 0.16 W 0.12 E 0.11 K 0.11 Q 0.1 C Shift Assignments>> C :: 174.460(D) CA :: 55.505(D) CB :: 31.174(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.438(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.337(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.3 I 0.17 K 0.07 L 0.05 D 0.02 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 176.070(D) CA :: 59.411(D) CB :: 40.675(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.092(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 :: 123.549(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 M 0.11 E 0.08 Y 0.05 F 0.03 D 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 173.918 CA :: 52.215 CB :: 36.536 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 :: 8.341 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 :: 127.654 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.06 M 0.01 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 175.617 CA :: 51.530 CB :: 20.969 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.197 Ave N Shift Values>> N :: 123.23(3.54) 1.G88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 175.168 CA :: 45.131(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.679 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.788 Ave N Shift Values>> N :: 109.67(3.87) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.3 I 0.05 C Shift Assignments>> C :: 179.166(D) CA :: 55.556(D) CB :: 17.979(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.145(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.318(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 N 0.23 F 0.18 Y 0.18 L 0.11 I 0.01 C Shift Assignments>> C :: 176.992(D) CA :: 55.131(D) CB :: 39.465(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 :: 8.838(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 :: 113.611(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 R 0.18 Q 0.15 W 0.14 E 0.13 M 0.1 K 0.07 HN Overlap>> 1.E145 1.E145 C Shift Assignments>> C :: 174.227 CA :: 55.217(D) CB :: 30.358(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.957(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.468(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.34 L 0.34 R 0.17 D 0.09 F 0.02 Y 0.01 HN Overlap>> 1.D47 1.D47 C Shift Assignments>> C :: 175.357(D) CA :: 53.645(D) CB :: 44.205(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 :: 7.269(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.634(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.21 Q 0.15 R 0.11 H 0.11 W 0.07 E 0.05 V 0.01 HN Overlap>> 1.F54 1.F54 C Shift Assignments>> C :: 174.051 CA :: 55.892(D) CB :: 32.787(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 :: 8.818(D) HE1 :: 10.226 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 :: 123.472(D) NE1 :: 129.209 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.21 K 0.2 D 0.11 F 0.11 Y 0.07 C Shift Assignments>> C :: 174.018(D) CA :: 56.477(D) CB :: 42.520(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 :: 7.657(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 :: 126.316(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 A 0.31 K 0.05 C Shift Assignments>> C :: 174.415(D) CA :: 51.404(D) CB :: 23.055(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.004(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.965(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 R 0.17 Q 0.15 W 0.14 E 0.13 M 0.1 K 0.07 C Shift Assignments>> C :: 175.863 CA :: 55.210(D) CB :: 30.330(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.603(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.145(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.17 Q 0.16 W 0.13 M 0.11 E 0.1 K 0.08 C Shift Assignments>> C :: 175.752 CA :: 53.924 CB :: 30.183 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 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 :: 128.917 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.53 D 0.22 F 0.08 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.281 CA :: 53.190(D) CB :: 39.076(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) 1.D100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.21 R 0.17 K 0.14 F 0.06 Y 0.04 N 0.02 G 0.01 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 175.085 CA :: 54.544(D) CB :: 42.524(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 :: 8.802(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 :: 122.843(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 G 0.31 R 0.18 D 0.09 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.036 CA :: 53.967(D) CB :: 44.200(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 :: 7.720(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 :: 122.117(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 Q 0.24 K 0.21 R 0.08 H 0.08 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 174.208 CA :: 55.205(D) CB :: 33.452(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.442(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 :: 128.623(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.32 I 0.28 L 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 175.279(D) CA :: 59.895(D) CB :: 39.942(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.145(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 :: 126.472(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 Q 0.25 K 0.2 H 0.07 R 0.07 W 0.04 E 0.01 C Shift Assignments>> C :: 175.412(D) CA :: 54.582(D) CB :: 33.572(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.057(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.728(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 E 0.18 Y 0.15 V 0.1 F 0.08 M 0.02 K 0.02 C Shift Assignments>> C :: 176.952(D) CA :: 60.923(D) CB :: 36.238(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 :: 7.231(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 :: 119.003(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.26 L 0.22 F 0.14 R 0.12 D 0.11 Y 0.1 I 0.01 C Shift Assignments>> C :: 177.850(D) CA :: 56.890 CB :: 42.072 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.271(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 :: 131.114(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.210(D) CA :: 45.343(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.882(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.139(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.361 CA :: 60.267 CB :: 72.420 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 :: 7.868 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.189 Ave N Shift Values>> N :: 115.42(4.75) 1.D109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.15 K 0.08 F 0.08 Y 0.06 R 0.01 HN Overlap>> 1.S27 1.S27 C Shift Assignments>> C :: 175.566(D) CA :: 53.660(D) CB :: 41.075(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 :: 8.697 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 :: 119.583 Ave N Shift Values>> N :: 120.65(3.86) 1.D110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.23 D 0.15 K 0.14 F 0.07 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 176.019(D) CA :: 55.371(D) CB :: 42.725(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 :: 8.825(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 :: 120.885(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 A 0.44 K 0.02 C Shift Assignments>> C :: 173.142(D) CA :: 51.821(D) CB :: 22.574(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.343(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.535(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.14 R 0.03 D 0.03 C Shift Assignments>> C :: 177.736 CA :: 52.023(D) CB :: 44.644(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.194(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 :: 125.851(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 174.482 CA :: 61.625(D) CB :: 70.768(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 :: 8.998(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 :: 123.478(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.35 P 0.31 W 0.1 I 0.07 R 0.03 E 0.03 H 0.02 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.008(D) CA :: 62.097(D) CB :: 31.074(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.894(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 :: 126.835(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.11 Q 0.1 R 0.1 K 0.09 L 0.09 E 0.07 W 0.07 F 0.05 Y 0.05 D 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.291 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.957 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 129.028 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Y 0.27 F 0.26 D 0.17 N 0.12 L 0.09 I 0.04 C Shift Assignments>> C :: 175.846(D) CA :: 56.241(D) CB :: 39.323(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) 1.W117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 P 0.2 W 0.14 I 0.06 R 0.06 E 0.05 H 0.04 K 0.04 M 0.02 Q 0.02 C Shift Assignments>> C :: 176.286(D) CA :: 61.475(D) CB :: 31.156(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 :: 7.278(D) HE1 :: 10.750 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 :: 118.857(D) NE1 :: 134.654 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.55 Y 0.22 F 0.19 E 0.01 C Shift Assignments>> C :: 176.012(D) CA :: 61.355(D) CB :: 38.542(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.749(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 109.316(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 R 0.15 K 0.14 E 0.13 H 0.12 M 0.11 V 0.07 Q 0.06 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 176.129(D) CA :: 58.632(D) CB :: 31.551(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.217(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.513(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.14 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.249 CA :: 54.594 CB :: 41.34 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 :: 8.168 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 :: 120.809 Ave N Shift Values>> N :: 120.65(3.86) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C Shift Assignments>> C :: 177.695 CA :: 53.213 CB :: 19.271 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.141 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.496 Ave N Shift Values>> N :: 123.23(3.54) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 F 0.11 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.289 CA :: 54.668 CB :: 41.094 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 :: 8.209 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 :: 118.299 Ave N Shift Values>> N :: 120.65(3.86) 1.H123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.15 W 0.15 Q 0.14 M 0.08 K 0.08 C Shift Assignments>> CA :: 56.385 CB :: 30.264 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.082 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.644 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 W 0.15 E 0.15 Q 0.12 M 0.1 K 0.09 V 0.01 HN Overlap>> 1.Y62 1.Y62 C Shift Assignments>> C :: 176.219 CA :: 56.465 CB :: 30.756 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.144 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.111 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 P 0.35 W 0.03 K 0.02 R 0.01 C Shift Assignments>> C :: 176.022 CA :: 62.598 CB :: 32.796 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 :: 8.104 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.104 Ave N Shift Values>> N :: 121.14(4.54) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.16 W 0.16 Q 0.14 M 0.09 K 0.07 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 176.314 CA :: 56.652 CB :: 30.443 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 :: 8.471 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 :: 124.605 Ave N Shift Values>> N :: 120.67(3.48) 1.I127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 Y 0.23 F 0.2 E 0.01 C Shift Assignments>> C :: 174.247(D) CA :: 61.245 CB :: 38.567 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 :: 8.17 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.751 Ave N Shift Values>> N :: 121.46(4.28) 1.I128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.31 I 0.3 L 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 174.523(D) CA :: 60.112(D) CB :: 40.070(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 :: 8.891(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 :: 125.442(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.2 R 0.14 H 0.13 Q 0.1 W 0.09 E 0.06 V 0.01 C Shift Assignments>> C :: 175.339 CA :: 55.685 CB :: 32.415 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.614 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.872 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C Shift Assignments>> C :: 177.099 CA :: 50.955 CB :: 18.742 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.771 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.370 Ave N Shift Values>> N :: 123.23(3.54) 1.A131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.34 I 0.03 C Shift Assignments>> C :: 177.881(D) CA :: 55.055(D) CB :: 17.651(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.703(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.606(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.16 Y 0.08 F 0.07 L 0.04 M 0.01 E 0.01 C Shift Assignments>> C :: 174.543(D) CA :: 53.209(D) CB :: 38.567(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 :: 8.517(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 :: 112.532(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.2 R 0.15 H 0.14 W 0.1 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 173.076 CA :: 55.771 CB :: 32.291 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.594 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.675 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 L 0.03 M 0.01 C Shift Assignments>> C :: 177.130(D) CA :: 51.179(D) CB :: 20.593(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.605(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.839(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.56 I 0.08 K 0.07 Q 0.05 P 0.05 M 0.04 E 0.03 W 0.03 Y 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 174.306(D) CA :: 61.453(D) CB :: 34.259(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.209(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 :: 123.158(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.39 L 0.24 N 0.15 K 0.08 F 0.04 R 0.03 Y 0.03 C Shift Assignments>> C :: 176.396(D) CA :: 52.178(D) CB :: 41.687(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 :: 8.102(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.838(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 W 0.19 K 0.1 E 0.1 H 0.07 Q 0.07 R 0.06 V 0.03 P 0.02 M 0.01 C Shift Assignments>> C :: 178.152(D) CA :: 60.609(D) CB :: 28.925(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 :: 8.244(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.651(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.4 I 0.03 C Shift Assignments>> C :: 180.995(D) CA :: 55.021(D) CB :: 18.008(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.244(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.823(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 HN Overlap>> 1.G79 1.G79 1.G78 1.G78 C Shift Assignments>> C :: 176.632(D) CA :: 46.961(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.366(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.551(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.9 Y 0.04 F 0.03 V 0.01 C Shift Assignments>> C :: 177.366(D) CA :: 64.949(D) CB :: 38.222(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 :: 8.507(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 :: 124.066(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 K 0.16 E 0.14 Q 0.13 H 0.11 I 0.11 R 0.09 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 179.727(D) CA :: 58.917(D) CB :: 28.895(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.758(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.216(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 M 0.13 V 0.12 W 0.12 R 0.12 H 0.1 Q 0.08 E 0.08 C Shift Assignments>> C :: 179.458(D) CA :: 58.816(D) CB :: 32.453(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 :: 7.517(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.783(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 K 0.22 Y 0.2 L 0.14 D 0.07 I 0.05 R 0.03 C Shift Assignments>> C :: 178.495(D) CA :: 58.134(D) CB :: 41.326(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 :: 7.603(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 :: 122.109(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.66 P 0.31 I 0.01 C Shift Assignments>> C :: 179.326(D) CA :: 66.070(D) CB :: 31.948(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 :: 8.249(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 :: 119.317(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.17 R 0.13 H 0.13 Q 0.11 K 0.1 I 0.06 M 0.04 V 0.03 HN Overlap>> 1.Q91 1.Q91 C Shift Assignments>> C :: 178.520 CA :: 58.975(D) CB :: 29.927(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.848(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 :: 118.441(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 M 0.35 I 0.01 C Shift Assignments>> C :: 180.187(D) CA :: 54.553(D) CB :: 18.761(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.028(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.813(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 R 0.16 M 0.14 H 0.14 W 0.13 E 0.12 Q 0.06 V 0.03 C Shift Assignments>> C :: 176.738(D) CA :: 57.470(D) CB :: 31.777(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 :: 8.272(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.682(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 178.091(D) CA :: 53.505(D) CB :: 18.825(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.675(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.588(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.15 W 0.14 R 0.13 E 0.13 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 175.481(D) CA :: 55.619(D) CB :: 29.343(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.816(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.313(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.22 N 0.21 D 0.1 E 0.07 I 0.04 L 0.04 M 0.02 C Shift Assignments>> C :: 173.997 CA :: 55.840(D) CB :: 38.230(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.022(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.273(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.5 V 0.43 W 0.02 I 0.01 C Shift Assignments>> C :: 175.252(D) CA :: 63.581(D) CB :: 31.941(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.D152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.23 R 0.17 G 0.15 K 0.03 N 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.656(D) CA :: 52.008(D) CB :: 43.156(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 :: 7.877(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 :: 121.128(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 39 #Clerical: 111 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 153 #Suspicious: 0 C Shift Results: #Consistent: 119 #Duplicate: 298 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 49 #Duplicate: 94 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 49 #Duplicate: 96 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A3 C = 177.903(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.3900e-01 1.A3 CA = 53.259(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.5208e-01 1.A3 CB = 19.087(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6644e-01 1.R4 C = 175.497(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.5289e-01 1.R4 CA = 55.569(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.0312e-01 1.R4 CB = 29.480(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.0499e-01 1.R4 H = 7.912(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9078e-01 1.R4 N = 117.266(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.3689e-01 1.D5 C = 174.161(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.0075e-01 1.D5 CA = 56.039(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.0635e-01 1.D5 CB = 38.058(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.1513e-02 1.D5 H = 8.082(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9424e-01 1.D5 N = 122.912(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5787e-01 1.V7 C = 175.140(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0055e-01 1.V7 CA = 62.856(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9817e-01 1.V7 CB = 32.227(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.7871e-01 1.L8 C = 173.587(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5671e-02 1.L8 CA = 53.635(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5138e-01 1.L8 CB = 43.489(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.3058e-01 1.L8 H = 9.353(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4043e-02 1.L8 N = 128.799(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5202e-02 1.I9 C = 177.369(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.2886e-01 1.I9 CA = 59.143(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.5730e-01 1.I9 CB = 39.055(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.3336e-01 1.I9 H = 8.382(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8076e-01 1.I9 N = 123.917(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6592e-01 1.G10 C = 172.269(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.9444e-01 1.G10 CA = 43.622(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9721e-01 1.G10 H = 9.151(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0656e-01 1.G10 N = 114.088(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5362e-01 1.D11 C = 176.949(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5374e-01 1.D11 CA = 51.986(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8285e-01 1.D11 CB = 42.300(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.8074e-01 1.D11 H = 7.893(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.7216e-01 1.D11 N = 118.003(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9287e-01 1.A12 C = 176.663(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.1311e-01 1.A12 CA = 54.260(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.7163e-01 1.A12 CB = 18.147(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.3722e-01 1.G13 C = 173.380(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9437e-01 1.G13 CA = 43.338(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3323e-01 1.G13 H = 8.395(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2034e-01 1.G13 N = 104.389(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7238e-01 1.A14 C = 176.546(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.7510e-01 1.A14 CA = 52.956(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.2596e-01 1.A14 CB = 18.447(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5835e-01 1.A14 H = 8.698(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0654e-01 1.A14 N = 126.600(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4111e-01 1.N15 C = 173.731(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.8991e-01 1.N15 CA = 53.102(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1578e-01 1.N15 CB = 43.504(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.3923e-03 1.N15 H = 9.693(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.1744e-02 1.N15 N = 124.192(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.9165e-01 1.V16 C = 175.714(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.6054e-01 1.V16 CA = 62.026(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7112e-01 1.V16 CB = 32.255(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.9073e-01 1.V16 H = 8.608(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3505e-01 1.V16 N = 123.768(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.6269e-01 1.L17 C = 173.597(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.6596e-02 1.L17 CA = 53.089(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3473e-01 1.L17 CB = 44.900(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.6831e-01 1.L17 H = 8.762(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1309e-01 1.L17 N = 127.081(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8066e-01 1.N18 C = 175.185(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6213e-01 1.N18 CA = 51.241(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.2138e-01 1.N18 CB = 40.312(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.3717e-01 1.N18 H = 8.695(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.7310e-01 1.N18 N = 121.313(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5431e-01 1.G19 CA = 46.785(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.8422e-01 1.G19 H = 9.506(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0415e-02 1.G19 N = 109.360(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3616e-01 1.L20 C = 175.645(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9695e-01 1.L20 CA = 56.414(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0932e-01 1.L20 CB = 38.897(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9459e-02 1.A21 C = 175.950(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.0070e-01 1.A21 CA = 53.298(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.3640e-01 1.A21 CB = 18.711(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7021e-01 1.A21 H = 7.867(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.7889e-01 1.A21 N = 123.910(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4767e-01 1.G22 C = 172.687(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.2918e-01 1.G22 CA = 43.530(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.7440e-01 1.G22 H = 8.950(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4016e-01 1.G22 N = 110.811(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6812e-01 1.N23 C = 173.070(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.1905e-01 1.N23 CA = 52.931(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.4599e-01 1.N23 CB = 36.880(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.8417e-01 1.N23 H = 9.342(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.1173e-01 1.N23 N = 125.404(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.0817e-01 1.D24 C = 174.734(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.4110e-01 1.D24 CA = 54.310(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5151e-01 1.D24 CB = 44.794(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5690e-02 1.D24 H = 9.096(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.7536e-01 1.D24 N = 122.481(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3525e-01 1.V25 C = 174.127(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.3199e-01 1.V25 CA = 62.397(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7406e-01 1.V25 CB = 34.268(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.9022e-01 1.V25 H = 9.005(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8590e-01 1.V25 N = 123.575(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9172e-01 1.L26 C = 174.923(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9651e-01 1.L26 CA = 54.232(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.1463e-01 1.L26 CB = 45.418(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8292e-02 1.L26 H = 9.272(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0892e-01 1.L26 N = 126.690(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1554e-01 1.S27 C = 175.161(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.5311e-01 1.S27 CA = 55.722(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4753e-01 1.S27 CB = 64.937(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.4234e-01 1.S27 H = 8.615(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7017e-01 1.S27 N = 119.573(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.4953e-01 1.G28 C = 175.063(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.2571e-01 1.G28 CA = 47.487(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1076e-01 1.G28 H = 9.029(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8220e-01 1.G28 N = 110.284(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7394e-01 1.G29 C = 173.533(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5774e-01 1.G29 CA = 44.375(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6685e-01 1.G29 H = 10.664(S), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2970e-04 1.G29 N = 115.107(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6005e-01 1.A30 C = 175.105(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.1605e-01 1.A30 CA = 52.559(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6919e-01 1.A30 CB = 17.830(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.1905e-01 1.A30 H = 9.166(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0740e-01 1.A30 N = 125.579(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.0697e-01 1.G31 C = 172.559(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.8559e-01 1.G31 CA = 43.938(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9201e-01 1.G31 H = 8.968(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2633e-01 1.G31 N = 109.867(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5940e-01 1.D32 C = 173.792(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.3615e-01 1.D32 CA = 54.853(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3600e-01 1.D32 CB = 39.373(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.5224e-01 1.D32 H = 8.905(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.0496e-01 1.D32 N = 126.363(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.3886e-01 1.D33 C = 174.712(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.3476e-01 1.D33 CA = 53.996(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.3245e-01 1.D33 CB = 45.236(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.1690e-03 1.D33 H = 9.272(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7192e-02 1.D33 N = 122.969(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.4799e-01 1.V34 C = 174.054(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0982e-01 1.V34 CA = 62.545(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8466e-01 1.V34 CB = 34.371(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5927e-01 1.V34 H = 8.908(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.5633e-01 1.V34 N = 121.391(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5591e-01 1.L35 C = 174.273(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6999e-01 1.L35 CA = 54.023(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5340e-01 1.L35 CB = 44.156(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.2614e-01 1.L36 C = 175.464(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.4088e-01 1.L36 CA = 54.173(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9692e-01 1.L36 CB = 42.350(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8303e-01 1.L36 H = 9.066(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9839e-01 1.L36 N = 124.223(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4458e-01 1.G37 CA = 46.734(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.0168e-01 1.G37 H = 9.438(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8266e-02 1.G37 N = 108.924(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4714e-01 1.G40 C = 173.969(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5800e-01 1.G40 CA = 43.698(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1764e-01 1.S41 CA = 56.965(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9654e-01 1.S41 CB = 62.801(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.9968e-01 1.S41 H = 8.814(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6542e-01 1.S41 N = 120.157(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.7071e-01 1.D42 C = 174.492(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.7559e-01 1.D42 CA = 54.195(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.0735e-01 1.D42 CB = 44.515(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.4844e-02 1.L43 C = 174.930(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9815e-01 1.L43 CA = 54.113(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7925e-01 1.L43 CB = 44.412(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.6353e-01 1.L43 H = 9.461(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8246e-02 1.L43 N = 122.918(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8617e-01 1.L44 C = 174.918(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9535e-01 1.L44 CA = 55.947(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7799e-01 1.L44 CB = 45.377(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0281e-01 1.L44 H = 9.317(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4464e-02 1.L44 N = 126.556(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2855e-01 1.S45 C = 174.844(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.9638e-01 1.S45 CA = 56.974(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9896e-01 1.S45 CB = 64.730(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2976e-01 1.S45 H = 8.562(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.3267e-01 1.S45 N = 114.057(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.2769e-01 1.G46 C = 173.798(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6945e-01 1.G46 CA = 47.103(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9080e-01 1.G46 H = 10.750(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9681e-04 1.G46 N = 117.022(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7467e-02 1.D47 CA = 55.228(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9099e-01 1.D47 CB = 38.302(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.1153e-01 1.D47 H = 7.246(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.6583e-02 1.D47 N = 117.654(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.3765e-01 1.G49 C = 172.852(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8817e-01 1.G49 CA = 44.192(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.8749e-01 1.N50 C = 173.698(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.7983e-01 1.N50 CA = 53.611(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.6987e-01 1.N50 CB = 37.698(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.5722e-01 1.N50 H = 9.518(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.1506e-02 1.N50 N = 125.572(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.9324e-02 1.D51 C = 173.770(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.3288e-01 1.D51 CA = 53.486(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.5311e-01 1.D51 CB = 46.320(S), Expected = 40.88, Std = 1.6200, ChiSquare = 7.8502e-04 1.D51 H = 9.256(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.0288e-01 1.D51 N = 122.036(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1954e-01 1.D52 C = 174.545(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.8914e-01 1.D52 CA = 55.101(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3955e-01 1.D52 CB = 39.336(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.4055e-01 1.D52 H = 8.856(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.4651e-01 1.D52 N = 122.876(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.6415e-01 1.L53 C = 175.607(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.8487e-01 1.L53 CA = 54.119(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8100e-01 1.L53 CB = 45.633(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.7136e-02 1.L53 H = 9.621(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2355e-02 1.L53 N = 125.480(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5330e-01 1.F54 CA = 62.856(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.3117e-02 1.F54 CB = 44.315(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.8511e-02 1.F54 H = 8.791(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.4943e-01 1.F54 N = 123.557(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5730e-01 1.G65 C = 179.958(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.2025e-03 1.G65 CA = 44.098(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.5013e-01 1.V66 C = 178.450(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.3636e-01 1.V66 CA = 64.195(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.5107e-01 1.V66 CB = 31.415(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.6256e-01 1.V66 H = 8.320(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6429e-01 1.V66 N = 120.325(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5753e-01 1.G67 C = 176.036(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.4927e-01 1.G67 CA = 45.324(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8452e-01 1.G67 H = 10.220(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6411e-03 1.G67 N = 117.863(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4255e-02 1.Y68 C = 177.201(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.6545e-01 1.Y68 CA = 58.757(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.0274e-01 1.Y68 CB = 39.683(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.6654e-01 1.Y68 H = 7.615(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.3417e-01 1.Y68 N = 119.348(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.8021e-01 1.G69 CA = 46.895(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4892e-01 1.G69 H = 10.283(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6592e-03 1.G69 N = 118.698(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.9658e-02 1.H70 CB = 29.421(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.9236e-01 1.D71 C = 174.713(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.3505e-01 1.D71 CA = 52.174(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1519e-01 1.D71 CB = 42.601(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.8808e-01 1.D71 H = 8.455(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0259e-01 1.D71 N = 124.586(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.0788e-01 1.T72 C = 172.429(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.3036e-01 1.T72 CA = 61.514(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.8517e-01 1.T72 CB = 70.712(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.4687e-01 1.T72 H = 8.828(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.4293e-01 1.T72 N = 118.309(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.4305e-01 1.I73 C = 173.031(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.4204e-01 1.I73 CA = 60.539(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.8943e-01 1.I73 CB = 40.396(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.8198e-01 1.I73 H = 9.251(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.5331e-01 1.I73 N = 126.973(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.9772e-01 1.Y74 C = 177.208(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.6359e-01 1.Y74 CA = 56.164(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.3347e-01 1.Y74 CB = 40.570(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.6279e-01 1.Y74 H = 8.569(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.3303e-01 1.Y74 N = 126.251(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7240e-01 1.D81 C = 174.633(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.1263e-01 1.D81 CA = 55.285(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.6944e-01 1.T82 C = 171.906(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.3450e-01 1.T82 CA = 61.861(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8976e-01 1.T82 CB = 71.064(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.1313e-01 1.T82 H = 9.200(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.2153e-01 1.T82 N = 118.025(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8340e-01 1.I83 CA = 60.009(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.5025e-01 1.I83 CB = 41.609(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.4028e-01 1.R84 C = 174.460(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.3676e-01 1.R84 CA = 55.505(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.8395e-01 1.R84 CB = 31.174(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.9562e-01 1.R84 H = 9.438(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9538e-02 1.R84 N = 128.337(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0550e-02 1.I85 C = 176.070(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.0878e-01 1.I85 CA = 59.411(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1192e-01 1.I85 CB = 40.675(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.1136e-01 1.I85 H = 9.092(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3243e-01 1.I85 N = 123.549(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.2549e-01 1.G88 CA = 45.131(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7018e-01 1.A89 C = 179.166(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.0319e-01 1.A89 CA = 55.556(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2239e-01 1.A89 CB = 17.979(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.7317e-01 1.A89 H = 9.145(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1526e-01 1.A89 N = 124.318(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5858e-01 1.D90 C = 176.992(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.3515e-01 1.D90 CA = 55.131(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.2802e-01 1.D90 CB = 39.465(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.8241e-01 1.D90 H = 8.838(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.6264e-01 1.D90 N = 113.611(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8217e-02 1.Q91 CA = 55.217(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.2723e-01 1.Q91 CB = 30.358(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.2103e-01 1.Q91 H = 7.957(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.5577e-01 1.Q91 N = 118.468(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.9284e-01 1.L92 C = 175.357(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.0952e-01 1.L92 CA = 53.645(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5381e-01 1.L92 CB = 44.205(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.1346e-01 1.L92 H = 7.269(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3928e-01 1.L92 N = 117.634(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7855e-01 1.W93 CA = 55.892(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.9317e-01 1.W93 CB = 32.787(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.6710e-01 1.W93 H = 8.818(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.0391e-01 1.W93 N = 123.472(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.6814e-01 1.F94 C = 174.018(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.8111e-01 1.F94 CA = 56.477(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3280e-01 1.F94 CB = 42.520(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.2608e-01 1.F94 H = 7.657(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.2887e-01 1.F94 N = 126.316(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6051e-01 1.A95 C = 174.415(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.1852e-01 1.A95 CA = 51.404(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8061e-01 1.A95 CB = 23.055(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7079e-02 1.A95 H = 9.004(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8025e-01 1.A95 N = 121.965(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2083e-01 1.R96 CA = 55.210(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.9947e-01 1.R96 CB = 30.330(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.3977e-01 1.R96 H = 8.603(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5179e-01 1.R96 N = 122.145(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.1475e-01 1.N99 CA = 53.190(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.5231e-01 1.N99 CB = 39.076(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1933e-01 1.D100 CA = 54.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.4266e-01 1.D100 CB = 42.524(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.1019e-01 1.D100 H = 8.802(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.9628e-01 1.D100 N = 122.843(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.6994e-01 1.L101 CA = 53.967(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3772e-01 1.L101 CB = 44.200(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.1474e-01 1.L101 H = 7.720(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3268e-01 1.L101 N = 122.117(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4746e-01 1.E102 CA = 55.205(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1156e-01 1.E102 CB = 33.452(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5375e-02 1.E102 H = 9.442(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9464e-02 1.E102 N = 128.623(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2293e-02 1.I103 C = 175.279(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.6616e-01 1.I103 CA = 59.895(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.2222e-01 1.I103 CB = 39.942(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.1601e-01 1.I103 H = 9.145(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0335e-01 1.I103 N = 126.472(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.4159e-01 1.R104 C = 175.412(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.2298e-01 1.R104 CA = 54.582(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.4354e-01 1.R104 CB = 33.572(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.1655e-01 1.R104 H = 9.057(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.8046e-01 1.R104 N = 124.728(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.8580e-01 1.I105 C = 176.952(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.6600e-01 1.I105 CA = 60.923(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.9769e-01 1.I105 CB = 36.238(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.3635e-01 1.I105 H = 7.231(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.2292e-01 1.I105 N = 119.003(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6592e-01 1.L106 C = 177.850(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.6404e-01 1.L106 H = 9.271(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0926e-01 1.L106 N = 131.114(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7653e-02 1.G107 C = 174.210(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5648e-01 1.G107 CA = 45.343(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9583e-01 1.G107 H = 8.882(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9575e-01 1.G107 N = 109.139(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9087e-01 1.D109 C = 175.566(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.3367e-01 1.D109 CA = 53.660(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.1188e-01 1.D109 CB = 41.075(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.0419e-01 1.D110 C = 176.019(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2765e-01 1.D110 CA = 55.371(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.3727e-01 1.D110 CB = 42.725(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.5475e-01 1.D110 H = 8.825(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.7458e-01 1.D110 N = 120.885(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.5145e-01 1.A111 C = 173.142(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.0875e-02 1.A111 CA = 51.821(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0531e-01 1.A111 CB = 22.574(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.1470e-02 1.A111 H = 9.343(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6780e-02 1.A111 N = 127.535(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2395e-01 1.L112 CA = 52.023(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1271e-02 1.L112 CB = 44.644(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.1442e-01 1.L112 H = 9.194(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3805e-01 1.L112 N = 125.851(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0615e-01 1.T113 CA = 61.625(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1830e-01 1.T113 CB = 70.768(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.2425e-01 1.T113 H = 8.998(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2149e-01 1.T113 N = 123.478(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9806e-02 1.V114 C = 176.008(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.3819e-01 1.V114 CA = 62.097(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9070e-01 1.V114 CB = 31.074(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5489e-01 1.V114 H = 9.894(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6664e-02 1.V114 N = 126.835(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0969e-01 1.D116 C = 175.846(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5157e-01 1.D116 CA = 56.241(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.4484e-01 1.D116 CB = 39.323(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.3650e-01 1.W117 C = 176.286(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.3418e-01 1.W117 CA = 61.475(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.3923e-01 1.W117 CB = 31.156(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.6858e-01 1.W117 H = 7.278(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.0019e-01 1.W117 N = 118.857(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.9945e-01 1.Y118 C = 176.012(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.5843e-01 1.Y118 CA = 61.355(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.9884e-01 1.Y118 CB = 38.542(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.1871e-01 1.Y118 H = 8.749(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.5675e-01 1.Y118 N = 109.316(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.6391e-03 1.R119 C = 176.129(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.8991e-01 1.R119 CA = 58.632(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.2021e-01 1.R119 CB = 31.551(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.4191e-01 1.R119 H = 8.217(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6992e-01 1.R119 N = 120.513(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3784e-01 1.I127 C = 174.247(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.0378e-01 1.I128 C = 174.523(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8947e-01 1.I128 CA = 60.112(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.7619e-01 1.I128 CB = 40.070(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.7593e-01 1.I128 H = 8.891(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6890e-01 1.I128 N = 125.442(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5218e-01 1.A131 C = 177.881(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4722e-01 1.A131 CA = 55.055(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3346e-01 1.A131 CB = 17.651(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.5771e-01 1.A131 H = 8.703(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0184e-01 1.A131 N = 122.606(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6008e-01 1.N132 C = 174.543(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.8464e-01 1.N132 CA = 53.209(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6024e-01 1.N132 CB = 38.567(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4198e-01 1.N132 H = 8.517(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.7875e-01 1.N132 N = 112.532(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.1238e-01 1.A134 C = 177.130(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.7458e-01 1.A134 CA = 51.179(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2198e-01 1.A134 CB = 20.593(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.8702e-01 1.A134 H = 8.605(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9968e-01 1.A134 N = 126.839(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0797e-01 1.V135 C = 174.306(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.8920e-01 1.V135 CA = 61.453(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1691e-01 1.V135 CB = 34.259(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.9300e-01 1.V135 H = 9.209(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7017e-01 1.V135 N = 123.158(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5669e-01 1.D136 C = 176.396(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.9818e-01 1.D136 CA = 52.178(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1592e-01 1.D136 CB = 41.687(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.1838e-01 1.D136 H = 8.102(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1988e-01 1.D136 N = 124.838(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7793e-01 1.Q137 C = 178.152(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.4486e-01 1.Q137 CA = 60.609(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.9109e-02 1.Q137 CB = 28.925(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8423e-01 1.Q137 H = 8.244(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6755e-01 1.Q137 N = 117.651(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.3398e-01 1.A138 C = 180.995(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.2647e-01 1.A138 CA = 55.021(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.4211e-01 1.A138 CB = 18.008(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.8401e-01 1.A138 H = 8.244(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4154e-01 1.A138 N = 121.823(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9103e-01 1.G139 C = 176.632(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.4179e-01 1.G139 CA = 46.961(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2927e-01 1.G139 H = 8.366(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5583e-01 1.G139 N = 108.551(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7247e-01 1.I140 C = 177.366(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.2977e-01 1.I140 CA = 64.949(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.1280e-01 1.I140 CB = 38.222(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.3993e-01 1.I140 H = 8.507(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.3851e-01 1.I140 N = 124.066(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.4260e-01 1.E141 C = 179.727(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.4289e-01 1.E141 CA = 58.917(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4480e-01 1.E141 CB = 28.895(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.1682e-01 1.E141 H = 7.758(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3230e-01 1.E141 N = 117.216(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2094e-01 1.K142 C = 179.458(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.5883e-01 1.K142 CA = 58.816(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.9634e-01 1.K142 CB = 32.453(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.4984e-01 1.K142 H = 7.517(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.6200e-01 1.K142 N = 117.783(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8617e-01 1.L143 C = 178.495(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.4719e-01 1.L143 CA = 58.134(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3789e-01 1.L143 CB = 41.326(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0069e-01 1.L143 H = 7.603(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3474e-01 1.L143 N = 122.109(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4909e-01 1.V144 C = 179.326(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.1113e-02 1.V144 CA = 66.070(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.1066e-01 1.V144 CB = 31.948(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.6220e-01 1.V144 H = 8.249(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5120e-01 1.V144 N = 119.317(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8802e-01 1.E145 CA = 58.975(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.2844e-01 1.E145 CB = 29.927(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6151e-01 1.E145 H = 7.848(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1396e-01 1.E145 N = 118.441(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2184e-01 1.A146 C = 180.187(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5063e-01 1.A146 CA = 54.553(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.7545e-01 1.A146 CB = 18.761(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9177e-01 1.A146 H = 8.028(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7437e-01 1.A146 N = 121.813(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8895e-01 1.M147 C = 176.738(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.8948e-01 1.M147 CA = 57.470(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.4195e-01 1.M147 CB = 31.777(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.8815e-01 1.M147 H = 8.272(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8404e-01 1.M147 N = 116.682(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.3977e-01 1.A148 C = 178.091(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6911e-01 1.A148 CA = 53.505(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5374e-01 1.A148 CB = 18.825(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1948e-01 1.A148 H = 7.675(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8157e-01 1.A148 N = 122.588(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5609e-01 1.Q149 C = 175.481(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.7074e-01 1.Q149 CA = 55.619(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5676e-01 1.Q149 CB = 29.343(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.3300e-01 1.Q149 H = 7.816(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.9350e-01 1.Q149 N = 116.313(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.2041e-01 1.Y150 CA = 55.840(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.6158e-01 1.Y150 CB = 38.230(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.1382e-01 1.Y150 H = 8.022(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8311e-01 1.Y150 N = 122.273(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.7640e-01 1.P151 C = 175.252(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.2117e-01 1.P151 CA = 63.581(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.6884e-01 1.P151 CB = 31.941(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.3853e-01 1.D152 C = 173.656(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.1688e-01 1.D152 CA = 52.008(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8644e-01 1.D152 CB = 43.156(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6004e-01 1.D152 H = 7.877(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.5533e-01 1.D152 N = 121.128(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0145e-01