Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.22 K 0.2 D 0.18 F 0.13 Y 0.1 C 0.06 R 0.04 N 0.02 C Shift Assignments>> C :: 174.129 CA :: 55.969 CB :: 41.520 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.709 HB2 :: 3.170 HB3 :: 3.227 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.26 L 0.08 F 0.07 C 0.07 Y 0.06 HN Overlap>> 1.F23 1.F23 C Shift Assignments>> C :: 174.942 CA :: 53.115 CB :: 39.537 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 :: 8.880 HA :: 4.934 HB2 :: 2.865 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 :: 123.794 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.640 CA :: 61.022 CB :: 70.811 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 :: 7.639 HA :: 4.516 HB :: 4.492 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 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 :: 110.990 Ave N Shift Values>> N :: 115.42(4.75) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.35 C 0.03 I 0.01 C Shift Assignments>> C :: 179.253 CA :: 54.665 CB :: 18.760 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.569 HA :: 4.170 HB1 :: 1.462 HB2 :: 1.462 HB3 :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.436 Ave N Shift Values>> N :: 123.23(3.54) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.926 CA :: 62.135 CB :: 69.462 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 :: 7.835 HA :: 4.315 HB :: 4.227 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 108.349 Ave N Shift Values>> N :: 115.42(4.75) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.19 D 0.19 F 0.13 Y 0.1 C 0.06 R 0.03 N 0.02 HN Overlap>> 1.V32 1.V32 C Shift Assignments>> C :: 174.476 CA :: 55.928 CB :: 41.479 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.081 HA :: 4.628 HB2 :: 3.235 HB3 :: 3.109 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.255 Ave N Shift Values>> N :: 120.17(4.64) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.02 C Shift Assignments>> C :: 177.769 CA :: 52.986 CB :: 19.209 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.146 HA :: 4.345 HB1 :: 1.410 HB2 :: 1.410 HB3 :: 1.410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.453 Ave N Shift Values>> N :: 123.23(3.54) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.368 CA :: 61.814 CB :: 69.691 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 :: 8.023 HA :: 4.347 HB :: 4.215 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.557 Ave N Shift Values>> N :: 115.42(4.75) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.14 R 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.06 C Shift Assignments>> C :: 175.216 CA :: 55.636 CB :: 29.981 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 :: 8.227 HA :: 4.395 HB2 :: 2.055 HB3 :: 1.972 HG2 :: 2.318 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 :: 122.711 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 R 0.14 C 0.13 K 0.13 H 0.13 W 0.09 E 0.08 Q 0.06 HN Overlap>> 1.S19 1.S19 C Shift Assignments>> C :: 174.945 CA :: 55.512 CB :: 31.790 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 :: 8.319 HA :: 4.518 HB2 :: 1.689 HG2 :: 1.518 HG3 :: 1.637 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 :: 121.930 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.22 R 0.21 D 0.09 C 0.04 F 0.03 Y 0.01 C Shift Assignments>> CA :: 54.228 CB :: 44.054 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.382 HA :: 4.533 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 :: 123.187 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.94 M 0.02 C 0.02 L 0.01 C Shift Assignments>> CA :: 50.977 CB :: 20.005 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.053 HA :: 4.896 HB1 :: 1.046 HB2 :: 1.046 HB3 :: 1.046 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 K 0.06 C 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 173.534 CA :: 51.951 CB :: 41.338 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 :: 8.472 HA :: 4.813 HB2 :: 2.589 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.928 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.2 Y 0.16 L 0.14 C 0.08 D 0.07 R 0.04 I 0.03 C Shift Assignments>> C :: 173.825 CA :: 57.900 CB :: 41.556 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 :: 8.843 HA :: 5.090 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.077 Ave N Shift Values>> N :: 120.45(4.18) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.24 L 0.16 R 0.04 A 0.01 HN Overlap>> 2.I31 2.I31 C Shift Assignments>> C :: 173.404 CA :: 53.488 CB :: 44.557 CG :: 25.369 CD1 :: 27.759 CD2 :: 24.309 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 :: 8.343 HA :: 5.168 HB2 :: 0.970 HB3 :: 1.398 HG :: 1.203 HD11 :: 0.504 HD12 :: 0.504 HD13 :: 0.504 HD21 :: 0.492 HD22 :: 0.492 HD23 :: 0.492 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.612 Ave N Shift Values>> N :: 121.86(3.9) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 173.816 CA :: 60.234 CB :: 35.181 CG1 :: 21.476 CG2 :: 21.191 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.581 HA :: 4.585 HB :: 1.783 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 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 :: 116.731 Ave N Shift Values>> N :: 121.14(4.54) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 K 0.11 C 0.11 E 0.11 M 0.06 C Shift Assignments>> C :: 176.232 CA :: 55.050 CB :: 29.626 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 :: 8.920 HA :: 5.192 HD2 :: 6.878 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 :: 128.309 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.14 C 0.12 T 0.1 S 0.1 V 0.1 F 0.08 Y 0.08 W 0.07 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 HN Overlap>> 1.R11 1.R11 C Shift Assignments>> CA :: 60.284 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.361 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 :: 122.007 Ave N Shift Values>> N :: 116.28(3.52) 1.S20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.715 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.15 C 0.09 Y 0.07 F 0.06 L 0.04 C Shift Assignments>> C :: 173.629 CA :: 53.115 CB :: 38.633 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 :: 8.254 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.657 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.25 L 0.08 C 0.07 F 0.07 Y 0.06 C Shift Assignments>> C :: 173.705 CA :: 53.065 CB :: 39.489 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.650 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.776 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 C 0.1 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.N3 1.N3 C Shift Assignments>> C :: 175.312 CA :: 58.038 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 :: 8.805 HA :: 5.102 HB2 :: 3.091 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 :: 123.741 Ave N Shift Values>> N :: 120.45(4.18) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 169.704 CA :: 45.561 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.430 HA2 :: 4.466 HA3 :: 3.453 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.100 Ave N Shift Values>> N :: 109.67(3.87) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.29 C 0.2 K 0.03 P 0.02 C Shift Assignments>> C :: 174.375 CA :: 50.060 CB :: 23.248 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.492 HA :: 5.179 HB1 :: 1.124 HB2 :: 1.124 HB3 :: 1.124 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.110 Ave N Shift Values>> N :: 123.23(3.54) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.34 HN Overlap>> 2.N52 2.N52 C Shift Assignments>> C :: 174.300 CA :: 58.741 CB :: 41.822 CG1 :: 28.328 CG2 :: 16.270 CD1 :: 14.305 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 :: 8.487 HA :: 4.710 HB :: 1.452 HG12 :: 1.286 HG13 :: 0.827 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 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 :: 117.222 Ave N Shift Values>> N :: 121.46(4.28) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.17 G 0.03 R 0.02 A 0.01 C Shift Assignments>> C :: 176.596 CA :: 53.453 CB :: 42.607 CG :: 26.758 CD1 :: 24.994 CD2 :: 24.004 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 :: 8.723 HA :: 4.905 HB2 :: 1.541 HB3 :: 1.423 HG :: 1.505 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.678 HD22 :: 0.678 HD23 :: 0.678 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 :: 128.200 Ave N Shift Values>> N :: 121.86(3.9) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.941 CA :: 57.796 CB :: 64.727 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.798 HA :: 4.582 HB2 :: 3.833 HB3 :: 3.775 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 :: 119.325 Ave N Shift Values>> N :: 116.28(3.52) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.618 CA :: 58.078 CB :: 64.109 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.611 HA :: 4.711 HB2 :: 3.869 HB3 :: 3.806 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.790 Ave N Shift Values>> N :: 116.28(3.52) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.983 CA :: 61.617 CB :: 69.751 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 :: 8.294 HA :: 4.362 HB :: 4.178 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.709 Ave N Shift Values>> N :: 115.42(4.75) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 HN Overlap>> 2.L27 2.L27 C Shift Assignments>> C :: 175.148 CA :: 53.140 CB :: 38.815 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 :: 8.484 HA :: 4.763 HB2 :: 2.795 HB3 :: 2.697 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 :: 121.204 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 P 0.29 C 0.19 W 0.03 K 0.01 R 0.01 HN Overlap>> 1.C7 1.C7 C Shift Assignments>> C :: 176.537 CA :: 62.460 CB :: 32.530 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 :: 8.112 HA :: 4.091 HB :: 2.057 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 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 :: 120.215 Ave N Shift Values>> N :: 121.14(4.54) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.092 CA :: 45.173 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.434 HA2 :: 3.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.079 Ave N Shift Values>> N :: 109.67(3.87) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.285 CA :: 58.176 CB :: 63.869 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.149 HA :: 4.432 HB2 :: 3.833 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.316 Ave N Shift Values>> N :: 116.28(3.52) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.989 CA :: 53.230 CB :: 38.857 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 :: 8.483 HA :: 4.753 HB2 :: 2.719 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 :: 120.581 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.184 CA :: 61.615 CB :: 69.790 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 :: 7.988 HA :: 4.264 HB :: 4.142 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.794 Ave N Shift Values>> N :: 115.42(4.75) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 I 0.19 C 0.16 L 0.02 D 0.01 C Shift Assignments>> CA :: 59.107 CB :: 39.319 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 :: 7.718 HA :: 4.374 HB2 :: 3.044 HB3 :: 2.855 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 :: 126.893 Ave N Shift Values>> N :: 120.52(4.2) 2.V1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.465(D) CB :: 63.708(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.250(D) HA :: 4.431(D) HB2 :: 3.864(D) HB3 :: 3.805(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.117(D) Ave N Shift Values>> N :: 116.28(3.52) 2.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> CA :: 52.800(D) CB :: 19.159(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.270(D) HA :: 4.335(D) HB1 :: 1.383(D) HB2 :: 1.383(D) HB3 :: 1.383(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.846(D) Ave N Shift Values>> N :: 123.23(3.54) 2.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.402(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.337(D) HA2 :: 3.964(D) HA3 :: 3.965(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.851(D) Ave N Shift Values>> N :: 109.67(3.87) 2.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.051(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.104(D) HA2 :: 3.966(D) HA3 :: 3.971(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.396(D) Ave N Shift Values>> N :: 109.67(3.87) 2.E15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 E 0.34 M 0.24 Q 0.04 K 0.01 HN Overlap>> 2.I31 2.I31 C Shift Assignments>> CA :: 56.014(D) CB :: 31.460(D) CG :: 36.080(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.209(D) HA :: 4.332(D) HB2 :: 1.867(D) HB3 :: 1.791(D) HG2 :: 2.155(D) HG3 :: 2.085(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.608(D) Ave N Shift Values>> N :: 120.67(3.48) 2.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 60.953(D) CB :: 40.249(D) CG1 :: 28.627(D) CG2 :: 18.823(D) CD1 :: 13.711(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 :: 8.099(D) HA :: 4.357(D) HB :: 1.482(D) HG12 :: 0.825(D) HG21 :: 0.283(D) HG22 :: 0.283(D) HG23 :: 0.283(D) HD11 :: 0.812(D) HD12 :: 0.812(D) HD13 :: 0.812(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.428(D) Ave N Shift Values>> N :: 121.46(4.28) 2.V17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 61.340(D) CB :: 33.521(D) CG1 :: 21.472(D) CG2 :: 21.045(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 :: 8.675(D) HA :: 4.205(D) HB :: 1.919(D) HG11 :: 0.844(D) HG12 :: 0.844(D) HG13 :: 0.844(D) HG21 :: 0.750(D) HG22 :: 0.750(D) HG23 :: 0.750(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 :: 128.312(D) Ave N Shift Values>> N :: 121.14(4.54) 2.Y18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 C 0.15 I 0.11 D 0.05 L 0.05 N 0.01 C Shift Assignments>> CA :: 58.015(D) CB :: 39.520(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 :: 8.477(D) HA :: 4.830 HB2 :: 2.781(D) HB3 :: 3.030(D) HD1 :: 7.031(D) HD2 :: 7.031(D) HE1 :: 6.581(D) HE2 :: 6.581(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 :: 127.035(D) Ave N Shift Values>> N :: 120.52(4.2) 2.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 C 0.17 A 0.13 G 0.12 R 0.02 C Shift Assignments>> CA :: 52.085(D) CB :: 42.931(D) CG :: 25.700(D) CD1 :: 23.060(D) CD2 :: 25.885(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 :: 8.130(D) HA :: 4.821(D) HB2 :: 1.441(D) HB3 :: 1.474(D) HG :: 1.368(D) HD11 :: 0.523(D) HD12 :: 0.523(D) HD13 :: 0.523(D) HD21 :: 0.527(D) HD22 :: 0.527(D) HD23 :: 0.527(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.796(D) Ave N Shift Values>> N :: 121.86(3.9) 2.P20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 V 0.2 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> CA :: 64.517(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) 2.N21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.17 C 0.08 F 0.05 Y 0.05 L 0.04 C Shift Assignments>> CA :: 52.667(D) CB :: 38.811(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 :: 8.773(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 :: 113.308(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.27 R 0.14 A 0.05 G 0.01 C Shift Assignments>> CA :: 54.668(D) CB :: 42.334(D) CG :: 28.134(D) CD1 :: 25.534(D) CD2 :: 22.882(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 :: 6.923(D) HA :: 4.366(D) HB2 :: 1.593(D) HB3 :: 1.581(D) HG :: 1.655(D) HD11 :: 0.785(D) HD12 :: 0.785(D) HD13 :: 0.785(D) HD21 :: 0.678(D) HD22 :: 0.678(D) HD23 :: 0.678(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.348(D) Ave N Shift Values>> N :: 121.86(3.9) 2.N23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.62 C 0.19 M 0.05 E 0.03 Y 0.03 D 0.02 F 0.02 C Shift Assignments>> CA :: 51.356(D) CB :: 36.870(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 :: 8.853(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 :: 121.815(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.P24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> CA :: 66.145(D) CB :: 31.550(D) CG :: 27.760(D) CD :: 49.512(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) H Shift Assignments>> HA :: 3.693(D) HB2 :: 1.111(D) HB3 :: 1.125(D) HG2 :: 1.281(D) HG3 :: 1.535(D) HD2 :: 3.482(D) HD3 :: 3.268(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> CA :: 57.582 CB :: 39.975 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 :: 7.869(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 :: 116.580(D) Ave N Shift Values>> N :: 120.65(3.86) 2.Q26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.4 R 0.07 G 0.01 HN Overlap>> 1.N31 1.N31 C Shift Assignments>> CA :: 58.182(D) CB :: 42.271(D) CG :: 27.139(D) CD1 :: 25.464(D) CD2 :: 25.056(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 :: 8.582(D) HA :: 4.030(D) HB2 :: 1.665(D) HB3 :: 1.192(D) HG :: 1.525(D) HD11 :: 0.803(D) HD12 :: 0.803(D) HD13 :: 0.803(D) HD21 :: 0.847(D) HD22 :: 0.847(D) HD23 :: 0.847(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.185(D) Ave N Shift Values>> N :: 121.86(3.9) 2.C28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.27 I 0.05 C 0.02 C Shift Assignments>> CA :: 55.516(D) CB :: 17.714(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.037(D) HA :: 4.224(D) HB1 :: 1.476(D) HB2 :: 1.476(D) HB3 :: 1.476(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.259(D) Ave N Shift Values>> N :: 123.23(3.54) 2.F30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 Y 0.2 C 0.18 F 0.17 C Shift Assignments>> CA :: 61.082(D) CB :: 38.591(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 :: 7.786(D) HA :: 4.482(D) HB2 :: 3.218(D) HB3 :: 3.218(D) HD1 :: 7.157(D) HD2 :: 7.157(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.027(D) Ave N Shift Values>> N :: 120.45(4.18) 2.I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.85 C 0.14 HN Overlap>> 1.L16 2.E15 1.L16 2.E15 C Shift Assignments>> CA :: 64.473(D) CB :: 37.873(D) CG1 :: 28.644(D) CG2 :: 17.921(D) CD1 :: 14.042(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 :: 8.295(D) HA :: 3.307(D) HB :: 1.754(D) HG12 :: 1.304(D) HG13 :: 0.460(D) HG21 :: 0.529(D) HG22 :: 0.529(D) HG23 :: 0.529(D) HD11 :: 0.259(D) HD12 :: 0.259(D) HD13 :: 0.259(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 :: 119.674(D) Ave N Shift Values>> N :: 121.46(4.28) 2.H32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 C 0.22 W 0.13 K 0.07 E 0.06 Q 0.04 H 0.04 R 0.04 P 0.03 V 0.02 C Shift Assignments>> CA :: 60.818(D) CB :: 28.653(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 :: 8.197(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.162(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 P 0.23 T 0.22 I 0.17 C 0.04 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> CA :: 62.975(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.473(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.852(D) Ave N Shift Values>> N :: 116.28(3.52) 2.I34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.82 C 0.17 C Shift Assignments>> CA :: 63.720(D) CB :: 37.346(D) CG1 :: 28.156(D) CG2 :: 17.798(D) CD1 :: 13.029(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 :: 8.029(D) HA :: 3.639(D) HB :: 1.725(D) HG12 :: 1.000(D) HG13 :: 1.201(D) HG21 :: 0.723(D) HG22 :: 0.723(D) HG23 :: 0.723(D) HD11 :: 0.667(D) HD12 :: 0.667(D) HD13 :: 0.667(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 :: 119.889(D) Ave N Shift Values>> N :: 121.46(4.28) 2.H35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 K 0.12 E 0.12 I 0.1 Q 0.09 H 0.09 R 0.08 M 0.01 V 0.01 C Shift Assignments>> CA :: 59.218(D) CB :: 29.088(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.362(D) HA :: 4.187(D) HB2 :: 3.336(D) HB3 :: 3.272(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.041(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 D 0.18 Y 0.17 L 0.17 C 0.09 K 0.08 N 0.04 I 0.02 C Shift Assignments>> CA :: 56.410(D) CB :: 40.637(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 :: 8.411(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 :: 118.363(D) Ave N Shift Values>> N :: 120.65(3.86) 2.D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 D 0.34 L 0.11 C 0.06 F 0.04 Y 0.03 K 0.01 HN Overlap>> 2.Q55 2.Q55 C Shift Assignments>> CA :: 51.562(D) CB :: 40.440(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 :: 7.519(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 :: 115.326(D) Ave N Shift Values>> N :: 120.65(3.86) 2.P38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.4 C 0.1 I 0.01 W 0.01 C Shift Assignments>> CA :: 64.549(D) CB :: 31.718 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) 2.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.343(D) CB :: 62.578(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.412(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.318(D) Ave N Shift Values>> N :: 116.28(3.52) 2.Q40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.12 W 0.11 R 0.09 E 0.08 L 0.06 M 0.03 C Shift Assignments>> CA :: 54.775(D) CB :: 28.572(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 :: 7.785(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.187(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.3 V 0.23 T 0.2 I 0.16 C 0.04 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.306(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.728(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.618(D) Ave N Shift Values>> N :: 116.28(3.52) 2.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.23 I 0.06 C 0.02 C Shift Assignments>> CA :: 55.783(D) CB :: 17.754(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.631(D) HA :: 4.159(D) HB1 :: 1.423(D) HB2 :: 1.423(D) HB3 :: 1.423(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.021(D) Ave N Shift Values>> N :: 123.23(3.54) 2.N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 C 0.18 F 0.17 N 0.16 D 0.07 E 0.06 I 0.03 L 0.03 M 0.02 C Shift Assignments>> CA :: 55.862(D) CB :: 38.151(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.962(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.556(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 L 0.34 R 0.16 G 0.01 C Shift Assignments>> CA :: 57.952(D) CB :: 42.226(D) CG :: 27.278(D) CD1 :: 22.825(D) CD2 :: 26.201(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 :: 8.702(D) HB2 :: 1.950(D) HB3 :: 1.427(D) HG :: 1.861(D) HD11 :: 0.995(D) HD12 :: 0.995(D) HD13 :: 0.995(D) HD21 :: 0.708(D) HD22 :: 0.708(D) HD23 :: 0.708(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.620(D) Ave N Shift Values>> N :: 121.86(3.9) 2.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.44 R 0.03 C Shift Assignments>> CA :: 58.080(D) CB :: 41.512(D) CG :: 27.610(D) CD1 :: 25.422(D) CD2 :: 23.831(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 :: 8.940(D) HA :: 4.120(D) HB2 :: 1.836(D) HB3 :: 1.867(D) HG :: 1.657(D) HD11 :: 0.885(D) HD12 :: 0.885(D) HD13 :: 0.885(D) HD21 :: 0.841(D) HD22 :: 0.841(D) HD23 :: 0.841(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 :: 122.129(D) Ave N Shift Values>> N :: 121.86(3.9) 2.A46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.29 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.414(D) CB :: 17.722(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.794(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.456(D) Ave N Shift Values>> N :: 123.23(3.54) 2.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 Q 0.1 H 0.1 R 0.09 I 0.07 M 0.02 V 0.01 C Shift Assignments>> CA :: 58.948(D) CB :: 29.379(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.006(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 :: 118.379(D) Ave N Shift Values>> N :: 120.67(3.48) 2.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 A 0.24 I 0.03 C 0.01 C Shift Assignments>> CA :: 55.096(D) CB :: 16.857(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.204(D) HA :: 4.012(D) HB1 :: 0.857(D) HB2 :: 0.857(D) HB3 :: 0.857(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.027(D) Ave N Shift Values>> N :: 123.23(3.54) 2.K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 K 0.42 R 0.12 C Shift Assignments>> CA :: 59.412(D) CB :: 32.487(D) CG :: 25.412(D) CD :: 29.331(D) CE :: 42.183(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.468(D) HA :: 3.674(D) HB2 :: 1.967(D) HB3 :: 1.743(D) HG2 :: 1.434(D) HG3 :: 1.483(D) HD2 :: 1.607(D) HD3 :: 1.745(D) HE2 :: 3.045(D) HE3 :: 3.045(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.700(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.17 K 0.12 W 0.09 R 0.07 M 0.07 H 0.06 E 0.05 Q 0.05 P 0.01 C Shift Assignments>> CA :: 59.676(D) CB :: 32.477(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 :: 7.639(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 :: 119.811(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 C 0.37 R 0.02 C Shift Assignments>> CA :: 57.561(D) CB :: 42.039(D) CG :: 26.678(D) CD1 :: 24.919(D) CD2 :: 23.238(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 :: 7.976(D) HA :: 4.117(D) HB2 :: 1.562(D) HB3 :: 1.769(D) HG :: 1.348(D) HD11 :: 0.819(D) HD12 :: 0.819(D) HD13 :: 0.819(D) HD21 :: 0.846(D) HD22 :: 0.846(D) HD23 :: 0.846(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 :: 122.806(D) Ave N Shift Values>> N :: 121.86(3.9) 2.N52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 K 0.13 L 0.11 C 0.1 D 0.07 I 0.06 R 0.01 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> CA :: 58.002(D) CB :: 40.931(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 :: 8.521(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.228(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.25 C 0.14 D 0.12 L 0.08 N 0.06 I 0.05 C Shift Assignments>> CA :: 56.783(D) CB :: 39.454(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 :: 8.496(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 :: 120.126(D) Ave N Shift Values>> N :: 120.65(3.86) 2.A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 M 0.35 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.121(D) CB :: 18.371(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.038(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.628(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Q55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.14 H 0.13 R 0.12 C 0.12 W 0.1 L 0.09 E 0.08 M 0.02 I 0.01 HN Overlap>> 2.D37 2.D37 C Shift Assignments>> CA :: 54.983(D) CB :: 28.317(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 :: 7.456(D) HA :: 4.964(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 :: 115.243(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> CA :: 50.938(D) CB :: 17.876(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.129(D) HA :: 4.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.136(D) Ave N Shift Values>> N :: 123.23(3.54) 2.P57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.39 V 0.36 C 0.15 W 0.03 I 0.01 C Shift Assignments>> CA :: 62.885(D) CB :: 31.899(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) 2.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 Q 0.16 C 0.16 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> CA :: 55.707(D) CB :: 33.031(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.190(D) HA :: 4.250(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.039(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.W59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.15 E 0.15 R 0.12 H 0.12 Q 0.1 K 0.07 M 0.04 I 0.02 V 0.01 C Shift Assignments>> CA :: 58.240(D) CB :: 30.120(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 :: 7.581(D) HA :: 4.516(D) HE1 :: 10.036(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.511(D) NE1 :: 128.671(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) ########################################################################### Overall Results: #Consistent: 49 #Clerical: 47 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 82 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 96 #Suspicious: 0 C Shift Results: #Consistent: 112 #Duplicate: 121 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 163 #Duplicate: 201 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 33 #Duplicate: 44 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 2.S11 CA = 58.465(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.0196e-01 2.S11 CB = 63.708(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.5043e-01 2.S11 H = 8.250(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5945e-01 2.S11 HA = 4.431(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.0250e-01 2.S11 HB2 = 3.864(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.4897e-01 2.S11 HB3 = 3.805(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.6763e-01 2.S11 N = 116.117(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6307e-01 2.A12 CA = 52.800(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6366e-01 2.A12 CB = 19.159(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3511e-01 2.A12 H = 8.270(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 2.A12 HA = 4.335(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.6465e-01 2.A12 HB1 = 1.383(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 2.A12 HB2 = 1.383(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 2.A12 HB3 = 1.383(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9900e-01 2.A12 N = 125.846(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5992e-01 2.G13 CA = 45.402(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6905e-01 2.G13 H = 8.337(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.9141e-01 2.G13 HA2 = 3.964(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.8706e-01 2.G13 HA3 = 3.965(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.6055e-01 2.G13 N = 107.851(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3834e-01 2.G14 CA = 45.051(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2343e-01 2.G14 H = 8.104(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.2807e-01 2.G14 HA2 = 3.966(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.9137e-01 2.G14 HA3 = 3.971(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4783e-01 2.G14 N = 108.396(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4201e-01 2.E15 CA = 56.014(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.3205e-01 2.E15 CB = 31.460(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9922e-01 2.E15 CG = 36.080(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.7989e-01 2.E15 H = 8.209(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3751e-01 2.E15 HA = 4.332(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.4148e-01 2.E15 HB2 = 1.867(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.6626e-01 2.E15 HB3 = 1.791(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.8692e-01 2.E15 HG2 = 2.155(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.8395e-01 2.E15 HG3 = 2.085(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.5325e-01 2.E15 N = 119.608(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6023e-01 2.I16 CA = 60.953(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0634e-01 2.I16 CB = 40.249(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.2285e-01 2.I16 CG1 = 28.627(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.8518e-01 2.I16 CG2 = 18.823(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.4174e-01 2.I16 CD1 = 13.711(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.6638e-01 2.I16 H = 8.099(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.9010e-01 2.I16 HA = 4.357(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.5195e-01 2.I16 HB = 1.482(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.0414e-01 2.I16 HG12 = 0.825(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.5533e-01 2.I16 HG21 = 0.283(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1278e-02 2.I16 HG22 = 0.283(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1278e-02 2.I16 HG23 = 0.283(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1278e-02 2.I16 HD11 = 0.812(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.4898e-01 2.I16 HD12 = 0.812(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.4898e-01 2.I16 HD13 = 0.812(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.4898e-01 2.I16 N = 121.428(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9403e-01 2.V17 CA = 61.340(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.8761e-01 2.V17 CB = 33.521(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.5856e-01 2.V17 CG1 = 21.472(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.8944e-01 2.V17 CG2 = 21.045(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.9038e-01 2.V17 H = 8.675(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6554e-01 2.V17 HA = 4.205(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.7937e-01 2.V17 HB = 1.919(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.4882e-01 2.V17 HG11 = 0.844(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.5706e-01 2.V17 HG12 = 0.844(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.5706e-01 2.V17 HG13 = 0.844(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.5706e-01 2.V17 HG21 = 0.750(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5827e-01 2.V17 HG22 = 0.750(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5827e-01 2.V17 HG23 = 0.750(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5827e-01 2.V17 N = 128.312(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1417e-01 2.Y18 CA = 58.015(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.6346e-01 2.Y18 CB = 39.520(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.2623e-01 2.Y18 H = 8.477(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.2971e-01 2.Y18 HB2 = 2.781(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.2735e-01 2.Y18 HB3 = 3.030(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.2613e-01 2.Y18 HD1 = 7.031(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.3637e-01 2.Y18 HD2 = 7.031(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.3637e-01 2.Y18 HE1 = 6.581(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.0488e-01 2.Y18 HE2 = 6.581(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.7489e-01 2.Y18 N = 127.035(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.2086e-01 2.L19 CA = 52.085(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6990e-02 2.L19 CB = 42.931(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4116e-01 2.L19 CG = 25.700(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.2619e-01 2.L19 CD1 = 23.060(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.9647e-01 2.L19 CD2 = 25.885(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.8040e-01 2.L19 H = 8.130(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7773e-01 2.L19 HA = 4.821(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.8644e-01 2.L19 HB2 = 1.441(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.1915e-01 2.L19 HB3 = 1.474(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9833e-01 2.L19 HG = 1.368(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.6697e-01 2.L19 HD11 = 0.523(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1753e-01 2.L19 HD12 = 0.523(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1753e-01 2.L19 HD13 = 0.523(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1753e-01 2.L19 HD21 = 0.527(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.8393e-01 2.L19 HD22 = 0.527(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.8393e-01 2.L19 HD23 = 0.527(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.8393e-01 2.L19 N = 120.796(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8499e-01 2.P20 CA = 64.517(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.3485e-01 2.N21 CA = 52.667(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.4239e-01 2.N21 CB = 38.811(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4292e-01 2.N21 H = 8.773(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.9189e-01 2.N21 N = 113.308(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.6300e-01 2.L22 CA = 54.668(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.5491e-01 2.L22 CB = 42.334(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8981e-01 2.L22 CG = 28.134(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.1836e-01 2.L22 CD1 = 25.534(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.0869e-01 2.L22 CD2 = 22.882(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.9205e-01 2.L22 H = 6.923(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4350e-02 2.L22 HA = 4.366(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.2203e-01 2.L22 HB2 = 1.593(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.6012e-01 2.L22 HB3 = 1.581(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.6545e-01 2.L22 HG = 1.655(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.6038e-01 2.L22 HD11 = 0.785(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.0052e-01 2.L22 HD12 = 0.785(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.0052e-01 2.L22 HD13 = 0.785(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.0052e-01 2.L22 HD21 = 0.678(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5769e-01 2.L22 HD22 = 0.678(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5769e-01 2.L22 HD23 = 0.678(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5769e-01 2.L22 N = 120.348(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9824e-01 2.N23 CA = 51.356(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.4536e-01 2.N23 CB = 36.870(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.8151e-01 2.N23 H = 8.853(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.1548e-01 2.N23 N = 121.815(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7407e-01 2.P24 CA = 66.145(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.4030e-02 2.P24 CB = 31.550(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.9931e-01 2.P24 CG = 27.760(D), Expected = 27.17, Std = 1.0900, ChiSquare = 5.8831e-01 2.P24 CD = 49.512(D), Expected = 50.32, Std = 0.9900, ChiSquare = 4.1441e-01 2.P24 HA = 3.693(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.2159e-02 2.P24 HB2 = 1.111(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.6303e-03 2.P24 HB3 = 1.125(D), Expected = 2.00, Std = 0.3600, ChiSquare = 1.5076e-02 2.P24 HG2 = 1.281(D), Expected = 1.93, Std = 0.3100, ChiSquare = 3.6300e-02 2.P24 HG3 = 1.535(D), Expected = 1.90, Std = 0.3300, ChiSquare = 2.6870e-01 2.P24 HD2 = 3.482(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.3123e-01 2.P24 HD3 = 3.268(D), Expected = 3.61, Std = 0.3900, ChiSquare = 3.8053e-01 2.D25 H = 7.869(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4705e-01 2.D25 N = 116.580(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.9170e-01 2.L27 CA = 58.182(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2905e-01 2.L27 CB = 42.271(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8345e-01 2.L27 CG = 27.139(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.4415e-01 2.L27 CD1 = 25.464(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.3984e-01 2.L27 CD2 = 25.056(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.5401e-01 2.L27 H = 8.582(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8814e-01 2.L27 HA = 4.030(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3722e-01 2.L27 HB2 = 1.665(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.7149e-01 2.L27 HB3 = 1.192(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.6224e-01 2.L27 HG = 1.525(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.6375e-01 2.L27 HD11 = 0.803(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4987e-01 2.L27 HD12 = 0.803(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4987e-01 2.L27 HD13 = 0.803(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4987e-01 2.L27 HD21 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 2.L27 HD22 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 2.L27 HD23 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 2.L27 N = 121.185(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6259e-01 2.A29 CA = 55.516(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3014e-01 2.A29 CB = 17.714(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7882e-01 2.A29 H = 8.037(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8588e-01 2.A29 HA = 4.224(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.3479e-01 2.A29 HB1 = 1.476(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2795e-01 2.A29 HB2 = 1.476(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2795e-01 2.A29 HB3 = 1.476(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2795e-01 2.A29 N = 122.259(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8386e-01 2.F30 CA = 61.082(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.4277e-01 2.F30 CB = 38.591(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.0325e-01 2.F30 H = 7.786(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2532e-01 2.F30 HA = 4.482(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.9513e-01 2.F30 HB2 = 3.218(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.5573e-01 2.F30 HB3 = 3.218(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.7153e-01 2.F30 HD1 = 7.157(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.5435e-01 2.F30 HD2 = 7.157(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.5435e-01 2.F30 N = 120.027(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1939e-01 2.I31 CA = 64.473(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8539e-01 2.I31 CB = 37.873(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.0784e-01 2.I31 CG1 = 28.644(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.7824e-01 2.I31 CG2 = 17.921(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.7373e-01 2.I31 CD1 = 14.042(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.1402e-01 2.I31 H = 8.295(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8240e-01 2.I31 HA = 3.307(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.1901e-01 2.I31 HB = 1.754(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.2856e-01 2.I31 HG12 = 1.304(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.5216e-01 2.I31 HG13 = 0.460(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.4996e-02 2.I31 HG21 = 0.529(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7208e-01 2.I31 HG22 = 0.529(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7208e-01 2.I31 HG23 = 0.529(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7208e-01 2.I31 HD11 = 0.259(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4658e-01 2.I31 HD12 = 0.259(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4658e-01 2.I31 HD13 = 0.259(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4658e-01 2.I31 N = 119.674(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7647e-01 2.H32 CA = 60.818(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.2800e-02 2.H32 CB = 28.653(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.4328e-01 2.H32 H = 8.197(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.4958e-01 2.H32 N = 117.162(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.2739e-01 2.S33 CA = 62.975(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9825e-02 2.S33 H = 8.473(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.4358e-01 2.S33 N = 116.852(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7091e-01 2.I34 CA = 63.720(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.3110e-01 2.I34 CB = 37.346(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.2501e-01 2.I34 CG1 = 28.156(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.9064e-01 2.I34 CG2 = 17.798(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.4378e-01 2.I34 CD1 = 13.029(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.1024e-01 2.I34 H = 8.029(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.1204e-01 2.I34 HA = 3.639(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.3401e-01 2.I34 HB = 1.725(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.4958e-01 2.I34 HG12 = 1.000(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.8393e-01 2.I34 HG13 = 1.201(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.7860e-01 2.I34 HG21 = 0.723(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 2.I34 HG22 = 0.723(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 2.I34 HG23 = 0.723(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 2.I34 HD11 = 0.667(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6424e-01 2.I34 HD12 = 0.667(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6424e-01 2.I34 HD13 = 0.667(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6424e-01 2.I34 N = 119.889(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1358e-01 2.H35 CA = 59.218(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.4282e-01 2.H35 CB = 29.088(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.7785e-01 2.H35 H = 7.362(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.9664e-01 2.H35 HA = 4.187(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.2525e-01 2.H35 HB2 = 3.336(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.1211e-01 2.H35 HB3 = 3.272(D), Expected = 3.04, Std = 0.3800, ChiSquare = 5.4151e-01 2.H35 N = 118.041(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.8016e-01 2.D36 CA = 56.410(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.9683e-01 2.D36 CB = 40.637(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.8076e-01 2.D36 H = 8.411(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.6176e-01 2.D36 N = 118.363(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5352e-01 2.D37 CA = 51.562(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2334e-01 2.D37 CB = 40.440(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.8593e-01 2.D37 H = 7.519(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.7263e-01 2.D37 N = 115.326(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6781e-01 2.P38 CA = 64.549(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.2257e-01 2.S39 CA = 61.343(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.0510e-01 2.S39 CB = 62.578(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0899e-01 2.S39 H = 8.412(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2297e-01 2.S39 N = 115.318(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.8463e-01 2.Q40 CA = 54.775(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0159e-01 2.Q40 CB = 28.572(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.3419e-01 2.Q40 H = 7.785(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.6095e-01 2.Q40 N = 120.187(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3425e-01 2.S41 CA = 63.306(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6729e-02 2.S41 H = 7.728(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4948e-01 2.S41 N = 115.618(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.5082e-01 2.A42 CA = 55.783(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8193e-01 2.A42 CB = 17.754(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.9250e-01 2.A42 H = 8.631(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7255e-01 2.A42 HA = 4.159(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.1844e-01 2.A42 HB1 = 1.423(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7889e-01 2.A42 HB2 = 1.423(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7889e-01 2.A42 HB3 = 1.423(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7889e-01 2.A42 N = 123.021(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5292e-01 2.N43 CA = 55.862(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.1679e-01 2.N43 CB = 38.151(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.4978e-01 2.N43 H = 7.962(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.4851e-01 2.N43 N = 118.556(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.2606e-01 2.L44 CA = 57.952(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7359e-01 2.L44 CB = 42.226(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.6436e-01 2.L44 CG = 27.278(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.5074e-01 2.L44 CD1 = 22.825(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.3333e-01 2.L44 CD2 = 26.201(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.0577e-01 2.L44 H = 8.702(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6774e-01 2.L44 HB2 = 1.950(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.1731e-01 2.L44 HB3 = 1.427(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.9615e-01 2.L44 HG = 1.861(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.8749e-01 2.L44 HD11 = 0.995(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8157e-01 2.L44 HD12 = 0.995(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8157e-01 2.L44 HD13 = 0.995(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8157e-01 2.L44 HD21 = 0.708(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3953e-01 2.L44 HD22 = 0.708(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3953e-01 2.L44 HD23 = 0.708(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3953e-01 2.L44 N = 121.620(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5093e-01 2.L45 CA = 58.080(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4812e-01 2.L45 CB = 41.512(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7122e-01 2.L45 CG = 27.610(D), Expected = 26.78, Std = 1.1000, ChiSquare = 4.5052e-01 2.L45 CD1 = 25.422(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.5884e-01 2.L45 CD2 = 23.831(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.9750e-01 2.L45 H = 8.940(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7470e-01 2.L45 HA = 4.120(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7045e-01 2.L45 HB2 = 1.836(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.0624e-01 2.L45 HB3 = 1.867(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.3510e-01 2.L45 HG = 1.657(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.5599e-01 2.L45 HD11 = 0.885(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2970e-01 2.L45 HD12 = 0.885(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2970e-01 2.L45 HD13 = 0.885(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2970e-01 2.L45 HD21 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 2.L45 HD22 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 2.L45 HD23 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 2.L45 N = 122.129(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4501e-01 2.A46 CA = 55.414(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5077e-01 2.A46 CB = 17.722(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8154e-01 2.A46 H = 7.794(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9862e-01 2.A46 N = 121.456(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1628e-01 2.E47 CA = 58.948(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3601e-01 2.E47 CB = 29.379(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.1372e-01 2.E47 H = 8.006(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.8290e-01 2.E47 N = 118.379(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.1032e-01 2.A48 CA = 55.096(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2321e-01 2.A48 CB = 16.857(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3939e-01 2.A48 H = 8.204(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9468e-01 2.A48 HA = 4.012(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.7300e-01 2.A48 HB1 = 0.857(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7940e-02 2.A48 HB2 = 0.857(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7940e-02 2.A48 HB3 = 0.857(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7940e-02 2.A48 N = 125.027(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1171e-01 2.K49 CA = 59.412(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6310e-01 2.K49 CB = 32.487(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6483e-01 2.K49 CG = 25.412(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.4412e-01 2.K49 CD = 29.331(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.3121e-01 2.K49 CE = 42.183(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.2085e-01 2.K49 H = 8.468(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.4313e-01 2.K49 HA = 3.674(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.7556e-01 2.K49 HB2 = 1.967(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.5446e-01 2.K49 HB3 = 1.743(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.9113e-01 2.K49 HG2 = 1.434(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.0556e-01 2.K49 HG3 = 1.483(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.3479e-01 2.K49 HD2 = 1.607(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.8912e-01 2.K49 HD3 = 1.745(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.0984e-01 2.K49 HE2 = 3.045(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.1061e-01 2.K49 HE3 = 3.045(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.9968e-01 2.K49 N = 118.700(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3306e-01 2.K50 CA = 59.676(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1531e-01 2.K50 CB = 32.477(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6042e-01 2.K50 H = 7.639(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5844e-01 2.K50 N = 119.811(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4242e-01 2.L51 CA = 57.561(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6215e-01 2.L51 CB = 42.039(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.8538e-01 2.L51 CG = 26.678(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2612e-01 2.L51 CD1 = 24.919(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.0040e-01 2.L51 CD2 = 23.238(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.3290e-01 2.L51 H = 7.976(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9597e-01 2.L51 HA = 4.117(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.6580e-01 2.L51 HB2 = 1.562(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.8773e-01 2.L51 HB3 = 1.769(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.8915e-01 2.L51 HG = 1.348(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.2349e-01 2.L51 HD11 = 0.819(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0535e-01 2.L51 HD12 = 0.819(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0535e-01 2.L51 HD13 = 0.819(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0535e-01 2.L51 HD21 = 0.846(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8916e-01 2.L51 HD22 = 0.846(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8916e-01 2.L51 HD23 = 0.846(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8916e-01 2.L51 N = 122.806(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0834e-01 2.N52 CA = 58.002(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.7625e-02 2.N52 CB = 40.931(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.8483e-01 2.N52 H = 8.521(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.7388e-01 2.N52 N = 117.228(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.7278e-01 2.D53 CA = 56.783(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.0252e-01 2.D53 CB = 39.454(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.7873e-01 2.D53 H = 8.496(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4845e-01 2.D53 N = 120.126(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9202e-01 2.A54 CA = 54.121(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.2028e-01 2.A54 CB = 18.371(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.2695e-01 2.A54 H = 8.038(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8716e-01 2.A54 N = 123.628(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1048e-01 2.Q55 CA = 54.983(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.5834e-01 2.Q55 CB = 28.317(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.3146e-01 2.Q55 H = 7.456(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9535e-01 2.Q55 HA = 4.964(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1473e-01 2.Q55 N = 115.243(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.9676e-01 2.A56 CA = 50.938(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6609e-01 2.A56 CB = 17.876(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.3547e-01 2.A56 H = 7.129(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4261e-02 2.A56 N = 124.136(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9800e-01 2.P57 CA = 62.885(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.6970e-01 2.P57 CB = 31.899(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.6688e-01 2.K58 CA = 55.707(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7207e-01 2.K58 CB = 33.031(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9230e-01 2.K58 H = 8.190(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0000e+00 2.K58 HA = 4.250(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6375e-01 2.K58 N = 122.039(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9306e-01 2.W59 CA = 58.240(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.2213e-01 2.W59 CB = 30.120(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.5636e-01 2.W59 H = 7.581(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.6947e-01 2.W59 HA = 4.516(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.5699e-01 2.W59 HE1 = 10.036(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.4685e-01 2.W59 N = 126.511(D), Expected = 121.68, Std = 4.1800, ChiSquare = 2.4779e-01 2.W59 NE1 = 128.671(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.5840e-01