Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 E 0.41 Q 0.08 C Shift Assignments>> C :: 175.0400 CA :: 57.0100 CB :: 35.6400 CG :: 32.50 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 :: 8.4301 HA :: 4.4608 HB2 :: 1.940 HB3 :: 2.003 HG2 :: 2.393 HG3 :: 2.423 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.8440 Ave N Shift Values>> N :: 120.09(3.57) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.25 L 0.18 F 0.05 K 0.04 Y 0.03 C Shift Assignments>> C :: 176.6900 CA :: 52.2800 CB :: 41.0000 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 :: 9.0247 HA :: 4.9200 HB2 :: 2.8262 HB3 :: 3.1506 HD21 :: 7.646 HD22 :: 6.929 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 :: 122.4570 ND2 :: 113.73 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.3600 CA :: 63.5600 CB :: 38.5600 CG1 :: 30.09 CG2 :: 18.28 CD1 :: 15.21 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 :: 8.7557 HA :: 3.8006 HB :: 1.9360 HG12 :: 1.308 HG13 :: 1.342 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.0390 Ave N Shift Values>> N :: 121.46(4.28) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.3 I 0.1 D 0.06 N 0.05 E 0.04 L 0.04 M 0.01 C Shift Assignments>> C :: 178.5600 CA :: 57.2800 CB :: 38.5700 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 :: 7.9187 HA :: 4.3478 HB2 :: 2.649 HB3 :: 2.782 HD21 :: 7.5762 HD22 :: 6.9239 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 :: 120.0230 ND2 :: 113.152 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 F 0.19 L 0.17 Y 0.14 R 0.1 D 0.07 I 0.02 C Shift Assignments>> C :: 177.2400 CA :: 57.8200 CB :: 41.9700 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 :: 7.9483 HA :: 4.3010 HB2 :: 2.710 HB3 :: 2.876 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 :: 121.9300 Ave N Shift Values>> N :: 120.65(3.86) 1.L6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.59 R 0.36 G 0.02 C Shift Assignments>> C :: 177.8600 CA :: 58.9900 CB :: 42.0400 CG :: 27.39 CD1 :: 26.78 CD2 :: 22.16 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 :: 7.8808 HA :: 3.724 HB2 :: 1.1672 HB3 :: 1.8220 HG :: 0.948 HD11 :: 0.322 HD12 :: 0.322 HD13 :: 0.322 HD21 :: -0.289(S) HD22 :: -0.289(S) HD23 :: -0.289(S) 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 :: 120.3440 Ave N Shift Values>> N :: 121.86(3.9) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.0800 CA :: 67.0800 CB :: 38.8800 CG1 :: 30.92 CG2 :: 18.03 CD1 :: 14.92 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 :: 8.1025 HA :: 3.303 HB :: 1.779 HG12 :: 0.852 HG13 :: 1.734 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 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 :: 117.2230 Ave N Shift Values>> N :: 121.46(4.28) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 G 0.35 K 0.04 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 178.9000 CA :: 60.4600 CB :: 30.4800 CG :: 28.12 CD :: 43.84 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 :: 7.5205 HA :: 3.851 HB2 :: 1.848 HB3 :: 2.039 HG2 :: 1.377 HG3 :: 1.670 HD2 :: 3.200 HD3 :: 3.255 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.9340 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.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.13 K 0.11 Q 0.11 M 0.08 C Shift Assignments>> C :: 179.7300 CA :: 59.4500 CB :: 30.1400 CG :: 35.74 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 :: 8.1259 HA :: 4.010 HB2 :: 1.920 HB3 :: 1.918 HG2 :: 2.126 HG3 :: 2.579 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 :: 117.0910 Ave N Shift Values>> N :: 120.67(3.48) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.0800 CA :: 67.3900 CB :: 39.7300 CG1 :: 29.77 CG2 :: 19.488 CD1 :: 15.66 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 :: 8.2994 HA :: 3.369 HB :: 1.677 HG12 :: 0.525 HG13 :: 1.668 HG21 :: 0.708 HG22 :: 0.708 HG23 :: 0.708 HD11 :: 0.487 HD12 :: 0.487 HD13 :: 0.487 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 :: 121.3180 Ave N Shift Values>> N :: 121.46(4.28) 1.K11 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.9 G 0.09 C Shift Assignments>> C :: 181.6100 CA :: 60.5800 CB :: 32.7100 CG :: 29.72(S) CD :: 26.579 CE :: 42.68 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 :: 8.4201 HA :: 4.4187 HB2 :: 1.8620 HB3 :: 1.8620 HG2 :: 1.571 HG3 :: 1.571 HD2 :: 1.487 HD3 :: 1.715 HE2 :: 2.917 HE3 :: 2.917 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 :: 119.5760 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.22 F 0.22 D 0.16 L 0.07 I 0.03 E 0.02 M 0.01 HN Overlap>> 1.S46 1.S46 C Shift Assignments>> C :: 176.6400 CA :: 55.5900 CB :: 38.8300 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 :: 8.3432 HA :: 4.587 HB2 :: 2.907 HB3 :: 2.907 HD21 :: 7.4696 HD22 :: 6.7784 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.0650 ND2 :: 110.824 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.R8 1.R8 C Shift Assignments>> C :: 174.1200 CA :: 55.5800 CB :: 32.0000 CG :: 25.49 CD :: 28.68 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 :: 7.4674 HA :: 4.4326 HB2 :: 2.027 HB3 :: 2.279 HG2 :: 1.548 HG3 :: 1.548 HD2 :: 1.670 HD3 :: 1.670 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 :: 118.9180 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.29 D 0.12 N 0.08 L 0.08 I 0.06 E 0.01 C Shift Assignments>> C :: 174.8500 CA :: 56.7400 CB :: 39.1800 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 :: 8.1471 HA :: 4.228 HB2 :: 2.5615 HB3 :: 2.8463 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 :: 113.2540 Ave N Shift Values>> N :: 120.65(3.86) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.3100 CA :: 58.8400 CB :: 40.4900 CD1 :: 133.923 CE1 :: 118.120 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 :: 6.9985 HA :: 4.657 HB2 :: 2.496 HB3 :: 2.782 HD1 :: 7.2024 HE1 :: 6.8553 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 :: 116.0050 Ave N Shift Values>> N :: 120.52(4.2) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.1100 CA :: 63.6200 CB :: 70.6400 CG2 :: 22.24 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 :: 8.7347 HA :: 4.391 HB :: 4.085 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 117.8510 Ave N Shift Values>> N :: 115.42(4.75) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 K 0.1 I 0.01 C Shift Assignments>> C :: 174.0500 CA :: 59.4600 CB :: 35.7100 CG1 :: 22.34 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 :: 8.3175 HA :: 5.3305 HB :: 1.8985 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 120.8670 Ave N Shift Values>> N :: 121.14(4.54) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.29 G 0.06 C Shift Assignments>> C :: 173.9000 CA :: 55.7600 CB :: 36.5500 CG :: 25.23 CD :: 29.959 CE :: 42.749 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 :: 8.9531 HA :: 4.6064 HB2 :: 1.638 HB3 :: 1.763 HG2 :: 1.266 HG3 :: 1.312 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.814 HE3 :: 2.814 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.7270 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.35 R 0.01 C Shift Assignments>> C :: 176.7700 CA :: 54.2200 CB :: 45.0800 CG :: 27.70 CD1 :: 25.30 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 :: 8.5894 HA :: 5.2500 HB2 :: 1.487 HB3 :: 1.617 HG :: 1.5018 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 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 :: 124.4070 Ave N Shift Values>> N :: 121.86(3.9) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 173.6200 CA :: 57.9200 CB :: 66.0200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.776 HB2 :: 3.714 HB3 :: 3.750 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) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.3700 CA :: 46.445 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4453 HA2 :: 4.191 HA3 :: 4.265 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1710 Ave N Shift Values>> N :: 109.67(3.87) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.0900 CA :: 63.184 CB :: 70.2100 CG2 :: 22.54 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 :: 8.1025 HA :: 4.245 HB :: 4.325 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 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 :: 110.8040 Ave N Shift Values>> N :: 115.42(4.75) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.23 K 0.19 R 0.09 F 0.09 Y 0.06 N 0.03 C Shift Assignments>> C :: 176.7000 CA :: 54.9500 CB :: 41.9900 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 :: 8.2440 HA :: 4.554 HB2 :: 2.760 HB3 :: 2.763 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 :: 119.8130 Ave N Shift Values>> N :: 120.65(3.86) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.4500 CA :: 60.6400 CB :: 64.1600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.3270 HB2 :: 3.9010 HB3 :: 3.9010 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) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.29 F 0.13 L 0.12 Y 0.12 C Shift Assignments>> C :: 174.7700 CA :: 54.3300 CB :: 39.7100 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 :: 8.2323 HA :: 4.7487 HB2 :: 2.7395 HB3 :: 2.8880 HD21 :: 7.606 HD22 :: 6.857 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 :: 118.2590 ND2 :: 112.81 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.3400 CA :: 58.6200 CB :: 65.0000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7782 HA :: 4.556 HB2 :: 3.6810 HB3 :: 3.7662 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 :: 115.6040 Ave N Shift Values>> N :: 116.28(3.52) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.0100 CA :: 61.6900 CB :: 39.4200 CG1 :: 28.03 CG2 :: 18.48 CD1 :: 13.605 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 :: 8.1958 HA :: 4.215 HB :: 1.773 HG12 :: 1.113 HG13 :: 1.482 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 122.9630 Ave N Shift Values>> N :: 121.46(4.28) 1.T28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 E 0.21 Q 0.06 C Shift Assignments>> C :: 172.6200 CA :: 55.7300 CB :: 34.3600 CG :: 35.26 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>> HA :: 5.166 HB2 :: 1.730 HB3 :: 1.846 HG2 :: 2.040 HG3 :: 2.167 HE21 :: 7.0830 HE22 :: 6.7164 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>> NE2 :: 111.050 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.15 C Shift Assignments>> C :: 174.0500 CA :: 54.5100 CB :: 46.9600 CG :: 28.214 CD1 :: 25.75 CD2 :: 27.03 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 :: 9.2077 HA :: 4.928 HB2 :: 1.2704 HB3 :: 1.8856 HG :: 1.432 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.707 HD22 :: 0.707 HD23 :: 0.707 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 :: 125.8810 Ave N Shift Values>> N :: 121.86(3.9) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.4800 CA :: 61.6800 CB :: 40.7000 CG1 :: 28.70 CG2 :: 18.72 CD1 :: 14.96 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 :: 9.0008 HA :: 4.7872 HB :: 1.7240 HG12 :: 0.970 HG13 :: 1.425 HG21 :: 0.660 HG22 :: 0.660 HG23 :: 0.660 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 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 :: 126.3640 Ave N Shift Values>> N :: 121.46(4.28) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 G 0.03 C Shift Assignments>> C :: 175.4800 CA :: 61.4300 CB :: 41.8800 CG1 :: 28.47 CG2 :: 19.45 CD1 :: 15.50 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 :: 9.3862 HA :: 4.523 HB :: 1.881 HG12 :: 0.826 HG13 :: 1.807 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 1.061 HD12 :: 1.061 HD13 :: 1.061 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 :: 128.1330 Ave N Shift Values>> N :: 121.46(4.28) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 G 0.45 K 0.02 C Shift Assignments>> C :: 175.3900 CA :: 57.4400 CB :: 30.3200 CG :: 28.60 CD :: 44.35 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 :: 8.7146 HA :: 4.4370 HB2 :: 1.7696 HB3 :: 1.958 HG2 :: 1.541 HG3 :: 1.567 HD2 :: 3.111 HD3 :: 3.131 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 :: 128.3860 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.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.7700 CA :: 65.5300 CB :: 33.0500 CG1 :: 21.41 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 :: 8.4956 HA :: 3.324 HB :: 1.412 HG11 :: 0.543 HG12 :: 0.543 HG13 :: 0.543 HG21 :: -0.0188 HG22 :: -0.0188 HG23 :: -0.0188 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 :: 129.5580 Ave N Shift Values>> N :: 121.14(4.54) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.32 L 0.15 F 0.06 Y 0.04 K 0.02 C Shift Assignments>> C :: 175.2100 CA :: 52.4900 CB :: 40.5800 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 :: 7.4781 HA :: 4.7068 HB2 :: 3.0210 HB3 :: 3.2254 HD21 :: 7.7840 HD22 :: 7.1422 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 :: 111.9960 ND2 :: 114.674 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.22 Y 0.17 F 0.16 L 0.09 I 0.01 C Shift Assignments>> C :: 175.4600 CA :: 54.8300 CB :: 39.1300 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 :: 8.6390 HA :: 4.7620 HB2 :: 2.7524 HB3 :: 2.9226 HD21 :: 7.6062 HD22 :: 6.9329 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 :: 116.1480 ND2 :: 113.380 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.2 K 0.2 R 0.11 F 0.09 Y 0.06 N 0.02 C Shift Assignments>> C :: 176.5400 CA :: 55.2300 CB :: 42.1200 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 :: 8.1708 HA :: 4.7074 HB2 :: 2.3965 HB3 :: 2.7538 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 :: 119.1380 Ave N Shift Values>> N :: 120.65(3.86) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.1200 CA :: 46.0500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9492 HA2 :: 3.586 HA3 :: 4.196 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.6790 Ave N Shift Values>> N :: 109.67(3.87) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.22 Y 0.14 F 0.14 L 0.08 I 0.01 C Shift Assignments>> C :: 174.4700 CA :: 54.4600 CB :: 39.0200 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 :: 7.7247 HA :: 4.5921 HB2 :: 2.589 HB3 :: 2.651 HD21 :: 7.4603 HD22 :: 7.3541 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.9270 ND2 :: 111.301 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 E 0.4 C Shift Assignments>> C :: 174.1800 CA :: 55.4500 CB :: 33.9000 CG :: 37.11 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 :: 8.2101 HA :: 4.9859 HB2 :: 1.610 HB3 :: 1.718 HG2 :: 1.870 HG3 :: 2.181 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 :: 123.6210 Ave N Shift Values>> N :: 120.67(3.48) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 G 0.02 C Shift Assignments>> C :: 174.2900 CA :: 58.6500 CB :: 42.1500 CD1 :: 132.491 CE1 :: 118.293 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3733 HA :: 4.4849 HB2 :: 2.5176 HB3 :: 3.0544 HD1 :: 7.0966 HE1 :: 6.7407 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 :: 126.8180 Ave N Shift Values>> N :: 120.52(4.2) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.5000 CA :: 62.5300 CB :: 34.3200 CG1 :: 21.72 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 :: 8.2066 HA :: 4.7609 HB :: 1.787 HG11 :: 0.806 HG12 :: 0.806 HG13 :: 0.806 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 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 :: 128.2960 Ave N Shift Values>> N :: 121.14(4.54) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 174.6100 CA :: 61.6500 CB :: 40.9000 CG1 :: 27.91 CG2 :: 21.28 CD1 :: 15.11 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 :: 9.2885 HA :: 4.3526 HB :: 1.9076 HG12 :: 1.282 HG13 :: 1.900 HG21 :: 1.0787 HG22 :: 1.0787 HG23 :: 1.0787 HD11 :: 1.156 HD12 :: 1.156 HD13 :: 1.156 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 :: 127.4490 Ave N Shift Values>> N :: 121.46(4.28) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.F55 1.F55 C Shift Assignments>> C :: 173.7800 CA :: 57.6400 CB :: 65.6100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8061 HA :: 5.1691 HB2 :: 3.668 HB3 :: 3.793 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 :: 122.4450 Ave N Shift Values>> N :: 116.28(3.52) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.24 I 0.04 Q 0.01 K 0.01 C Shift Assignments>> C :: 175.6200 CA :: 58.1200 CB :: 31.5100 CG :: 36.82 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 :: 8.2890 HA :: 4.1059 HB2 :: 2.074 HB3 :: 2.118 HG2 :: 2.274 HG3 :: 2.387 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 :: 123.8970 Ave N Shift Values>> N :: 120.67(3.48) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 HN Overlap>> 1.N12 1.N12 C Shift Assignments>> C :: 173.9300 CA :: 58.1100 CB :: 66.9300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3620 HA :: 4.887 HB2 :: 3.957 HB3 :: 4.107 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 :: 119.1600 Ave N Shift Values>> N :: 116.28(3.52) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.26 E 0.17 R 0.14 I 0.1 V 0.09 Q 0.09 K 0.07 M 0.04 C Shift Assignments>> C :: 176.8500 CA :: 59.9400 CB :: 30.2100 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>> HA :: 4.001 HB2 :: 1.971 HB3 :: 1.971 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) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.22 L 0.17 F 0.11 Y 0.09 K 0.03 C Shift Assignments>> C :: 174.5000 CA :: 54.0700 CB :: 40.3800 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 :: 8.2945 HA :: 4.7699 HB2 :: 2.8006 HB3 :: 2.8006 HD21 :: 7.600 HD22 :: 6.921 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 :: 113.2790 ND2 :: 112.85 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.49 C Shift Assignments>> C :: 173.8700 CA :: 57.0400 CB :: 34.0900 CG :: 37.57 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 :: 7.3743 HA :: 4.584 HB2 :: 1.789 HB3 :: 1.847 HG2 :: 2.1183 HG3 :: 2.1183 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.2100 Ave N Shift Values>> N :: 120.67(3.48) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.74 T 0.25 C Shift Assignments>> C :: 174.7300 CA :: 57.7900 CB :: 66.7500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8880 HA :: 4.665 HB2 :: 3.999 HB3 :: 3.999 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.2330 Ave N Shift Values>> N :: 116.28(3.52) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.5800 CA :: 66.4300 CB :: 38.4300 CG1 :: 30.89 CG2 :: 18.72 CD1 :: 14.39 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 :: 8.9361 HA :: 3.4958 HB :: 1.7430 HG12 :: 0.863 HG13 :: 1.659 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.2680 Ave N Shift Values>> N :: 121.46(4.28) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4700 CA :: 68.0100 CB :: 32.6300 CG1 :: 22.51 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 :: 7.9199 HA :: 3.429 HB :: 1.892 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.1440 Ave N Shift Values>> N :: 121.14(4.54) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 E 0.23 M 0.01 C Shift Assignments>> C :: 180.1700 CA :: 60.6500 CB :: 30.3200 CG :: 38.122 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 :: 7.6729 HA :: 3.8883 HB2 :: 2.1440 HB3 :: 2.2665 HG2 :: 2.309 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 :: 118.4230 Ave N Shift Values>> N :: 120.67(3.48) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.16 K 0.07 C Shift Assignments>> C :: 179.2900 CA :: 60.5800 CB :: 34.0500 CG :: 26.86 CD :: 30.285 CE :: 43.290 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 :: 8.5618 HA :: 3.953 HB2 :: 1.743 HB3 :: 1.880 HG2 :: 1.319 HG3 :: 1.610 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 2.950 HE3 :: 3.046 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.0400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> C :: 176.3800 CA :: 62.9800 CB :: 40.3600 CD1 :: 131.488 CE1 :: 131.555 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 :: 8.8743 HA :: 3.853 HB2 :: 2.896 HB3 :: 3.549 HD1 :: 6.8898 HE1 :: 6.8234 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 :: 122.4750 Ave N Shift Values>> N :: 120.45(4.18) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.9700 CA :: 65.9740 CB :: 38.5800 CG1 :: 29.99 CG2 :: 18.40 CD1 :: 14.15 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 :: 8.4778 HA :: 3.607 HB :: 1.984 HG12 :: 1.254 HG13 :: 2.007 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 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 :: 119.0930 Ave N Shift Values>> N :: 121.46(4.28) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.9700 CA :: 62.3700 CB :: 63.7700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0716 HA :: 3.996 HB2 :: 3.849 HB3 :: 3.909 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 :: 112.2540 Ave N Shift Values>> N :: 116.28(3.52) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.43 I 0.02 C Shift Assignments>> C :: 180.4800 CA :: 54.89 CB :: 18.6100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9071 HA :: 3.8828 HB1 :: 0.574 HB2 :: 0.574 HB3 :: 0.574 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1260 Ave N Shift Values>> N :: 123.23(3.54) 1.F59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.88 F 0.11 C Shift Assignments>> C :: 178.2900 CA :: 59.3200 CB :: 40.7700 CD1 :: 128.8089 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 :: 7.3312 HA :: 4.760 HB2 :: 1.6983(S) HB3 :: 2.491 HD1 :: 6.2862 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 :: 111.5140 Ave N Shift Values>> N :: 120.45(4.18) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 G 0.22 R 0.14 C Shift Assignments>> C :: 177.2300 CA :: 60.4100 CB :: 31.6600 CG :: 23.95 CD :: 30.69 CE :: 42.87 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 :: 8.3784 HA :: 4.428 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 1.162 HG3 :: 1.518 HD2 :: 1.600 HD3 :: 1.600 HE2 :: 2.923 HE3 :: 2.923 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.3860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.3 L 0.12 F 0.11 Y 0.1 C Shift Assignments>> C :: 175.8400 CA :: 53.9000 CB :: 39.7400 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 :: 8.2860 HA :: 4.898 HB2 :: 2.658 HB3 :: 2.931 HD21 :: 7.6492 HD22 :: 6.9383 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 :: 116.1550 ND2 :: 114.174 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 173.6200 CA :: 45.9400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7196 HA2 :: 3.650 HA3 :: 4.259 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5430 Ave N Shift Values>> N :: 109.67(3.87) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.4100 CA :: 59.2700 CB :: 29.1200 CD1 :: 125.789 CE3 :: 121.597 CZ2 :: 113.864 CZ3 :: 123.910 CH2 :: 126.116 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 :: 8.9605 HA :: 4.112 HB2 :: 3.163 HB3 :: 3.437 HD1 :: 6.5846 HE1 :: 10.385 HE3 :: 7.6710 HZ2 :: 6.8767 HZ3 :: 7.1271 HH2 :: 7.1567 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 :: 119.4600 NE1 :: 134.234 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 D 0.12 Y 0.08 F 0.07 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.4100 CA :: 53.2200 CB :: 38.1700 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 :: 5.9471(S) HA :: 4.196 HB2 :: 2.616 HB3 :: 3.054 HD21 :: 7.6900 HD22 :: 7.2927 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 :: 127.0360 ND2 :: 112.894 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q65 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.51 Q 0.23 R 0.1 E 0.07 I 0.06 C Shift Assignments>> C :: 174.6800 CA :: 57.4700 CB :: 25.957 CG :: 34.75 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>> HA :: 0.403(A) HB2 :: 1.542 HB3 :: 1.691 HG2 :: 1.444 HG3 :: 1.541 HE21 :: 7.1774 HE22 :: 6.6850 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>> NE2 :: 112.177 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (HA > HB2 : 0.9996) (HA > HB3 : 0.9992) (HA > HG2 : 1.0000) (HA > HG3 : 0.9995) 1.E66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.55 I 0.33 M 0.06 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.5500 CA :: 60.7400 CB :: 30.6900 CG :: 36.60 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 :: 6.5632 HA :: 3.638 HB2 :: 1.488 HB3 :: 1.570 HG2 :: 1.366(S) HG3 :: 1.663 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 :: 119.4150 Ave N Shift Values>> N :: 120.67(3.48) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.6400 CA :: 57.5300 CB :: 39.5500 CD1 :: 133.768 CE1 :: 118.251 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.0178 HA :: 5.056 HB2 :: 2.857 HB3 :: 3.321 HD1 :: 7.3267 HE1 :: 6.850 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 :: 117.2100 Ave N Shift Values>> N :: 120.52(4.2) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 E 0.36 M 0.02 K 0.01 C Shift Assignments>> C :: 178.0900 CA :: 60.9900 CB :: 30.4600 CG :: 37.39 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 :: 9.5251 HA :: 4.156 HB2 :: 2.143 HB3 :: 2.143 HG2 :: 2.442 HG3 :: 2.489 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 :: 127.2950 Ave N Shift Values>> N :: 120.67(3.48) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.22 Y 0.19 L 0.17 N 0.08 K 0.04 I 0.02 C Shift Assignments>> C :: 176.8100 CA :: 55.9500 CB :: 40.3200 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 :: 8.9388 HA :: 4.5591 HB2 :: 2.732 HB3 :: 2.787 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 :: 116.6470 Ave N Shift Values>> N :: 120.65(3.86) 1.E70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.59 M 0.37 I 0.02 C Shift Assignments>> C :: 175.8300 CA :: 56.6100 CB :: 32.0500 CG :: 37.70 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 :: 7.9500 HA :: 4.626 HB2 :: 2.733(S) HB3 :: 2.906(S) HG2 :: 2.184 HG3 :: 2.556 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 :: 117.4200 Ave N Shift Values>> N :: 120.67(3.48) 1.E71 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.42 I 0.4 K 0.09 Q 0.05 M 0.02 C Shift Assignments>> C :: 176.8500 CA :: 60.95 CB :: 29.6100 CG :: 35.84 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 :: 6.9830 HA :: 2.337(S) HB2 :: -0.095(A) HB3 :: 1.353 HG2 :: 1.356(S) HG3 :: 1.652 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 :: 122.9390 Ave N Shift Values>> N :: 120.67(3.48) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 E 0.27 K 0.01 C Shift Assignments>> C :: 177.9400 CA :: 60.8200 CB :: 29.7100 CG :: 37.50 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 :: 8.2413 HA :: 3.8815 HB2 :: 2.0230 HB3 :: 2.0230 HG2 :: 2.2382 HG3 :: 2.2382 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 :: 117.5230 Ave N Shift Values>> N :: 120.67(3.48) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 177.2700 CA :: 61.0000 CB :: 39.8600 CD1 :: 131.6 CE1 :: 130.7 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 :: 8.2509 HA :: 4.594 HB2 :: 3.033 HB3 :: 3.447 HD1 :: 6.7652 HE1 :: 6.4541 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 :: 120.1130 Ave N Shift Values>> N :: 120.45(4.18) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.4200 CA :: 63.4900 CB :: 39.5100 CD1 :: 134.214 CE1 :: 118.483 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 :: 8.6138 HA :: 3.286 HB2 :: 2.641 HB3 :: 3.278 HD1 :: 7.8080 HE1 :: 7.1580 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.3140 Ave N Shift Values>> N :: 120.52(4.2) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.26 E 0.1 I 0.09 N 0.08 D 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 178.5900 CA :: 56.9300 CB :: 38.0900 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 :: 8.5193 HA :: 4.5509 HB2 :: 2.864 HB3 :: 3.006 HD21 :: 7.5727 HD22 :: 7.1286 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.3460 ND2 :: 111.535 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.24 K 0.16 L 0.12 D 0.07 I 0.07 R 0.01 C Shift Assignments>> C :: 179.2700 CA :: 58.2000 CB :: 41.0500 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 :: 8.9184 HA :: 4.4566 HB2 :: 2.2143 HB3 :: 3.0030 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.1700 Ave N Shift Values>> N :: 120.65(3.86) 1.M77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.69 Q 0.19 E 0.1 C Shift Assignments>> C :: 179.7700 CA :: 57.5200 CB :: 34.0600 CG :: 32.98 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 :: 8.2009 HA :: 4.0591 HB2 :: 0.171(S) HB3 :: 0.549(S) HG2 :: -0.046(S) HG3 :: 0.739(S) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.3260 Ave N Shift Values>> N :: 120.09(3.57) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.34 E 0.08 I 0.08 R 0.07 M 0.02 C Shift Assignments>> C :: 180.2700 CA :: 60.0300 CB :: 28.5800 CG :: 33.85 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 :: 8.5037 HA :: 3.856 HB2 :: 2.178 HB3 :: 2.478 HG2 :: 2.133 HG3 :: 2.458 HE21 :: 7.0348 HE22 :: 6.8566 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.1290 NE2 :: 110.505 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.6100 CA :: 67.3100 CB :: 69.4100 CG2 :: 22.71 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 :: 7.9364 HA :: 3.900 HB :: 4.359 HG21 :: 1.364 HG22 :: 1.364 HG23 :: 1.364 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 :: 114.1150 Ave N Shift Values>> N :: 115.42(4.75) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.0800 CA :: 66.4360 CB :: 38.4160 CG1 :: 29.77 CG2 :: 17.87 CD1 :: 14.52 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 :: 7.3166 HA :: 3.6175 HB :: 2.2724 HG12 :: 0.916 HG13 :: 1.892 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 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 :: 122.5560 Ave N Shift Values>> N :: 121.46(4.28) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.0500 CA :: 66.5800 CB :: 69.5400 CG2 :: 24.68 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 :: 7.7824 HA :: 3.9780 HB :: 4.299 HG21 :: 1.366 HG22 :: 1.366 HG23 :: 1.366 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 :: 110.6110 Ave N Shift Values>> N :: 115.42(4.75) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 K 0.06 G 0.04 A 0.01 C Shift Assignments>> C :: 178.6800 CA :: 57.2300 CB :: 42.5200 CG :: 26.28 CD1 :: 23.09 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 :: 7.4483 HA :: 4.2518 HB2 :: 1.5872 HB3 :: 1.7885 HG :: 0.875 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 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 :: 120.9150 Ave N Shift Values>> N :: 121.86(3.9) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 R 0.46 G 0.04 C Shift Assignments>> C :: 177.6100 CA :: 58.2400 CB :: 32.7400 CG :: 25.84 CD :: 29.43 CE :: 42.94 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 :: 7.6384 HA :: 4.1958 HB2 :: 1.8894 HB3 :: 1.8894 HG2 :: 1.427 HG3 :: 1.542 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.921 HE3 :: 2.921 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 :: 119.0690 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.7000 CA :: 60.5600 CB :: 64.7200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8603 HA :: 4.3339 HB2 :: 3.8999 HB3 :: 3.8999 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 :: 115.2070 Ave N Shift Values>> N :: 116.28(3.52) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 M 0.15 I 0.08 K 0.03 Q 0.01 C Shift Assignments>> C :: 176.3700 CA :: 57.5100 CB :: 30.7200 CG :: 37.05 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 :: 8.1138 HA :: 4.3111 HB2 :: 1.932 HB3 :: 2.102 HG2 :: 2.220 HG3 :: 2.277 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.6110 Ave N Shift Values>> N :: 120.67(3.48) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.19 G 0.06 R 0.03 C Shift Assignments>> C :: 176.2700 CA :: 55.8100 CB :: 43.0600 CG :: 27.235 CD1 :: 24.315 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 :: 7.9023 HA :: 4.3437 HB2 :: 1.595 HB3 :: 1.621 HG :: 1.599 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 121.6370 Ave N Shift Values>> N :: 121.86(3.9) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.23 K 0.19 F 0.13 Y 0.1 N 0.03 R 0.03 C Shift Assignments>> C :: 179.4300 CA :: 55.6400 CB :: 41.4500 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 :: 7.8617 HA :: 4.4281 HB2 :: 2.604 HB3 :: 2.604 HD21 :: 7.4499 HD22 :: 6.8208 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 :: 124.2510 ND2 :: 113.008 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 78 #Clerical: 0 #Suspicious: 7 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 85 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 86 #Suspicious: 1 C Shift Results: #Consistent: 359 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 573 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 2 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L6 HD21 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.L6 HD22 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.L6 HD23 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.K11 Typing: Suspicious 1.K11 CG = 29.72(S), Expected = 24.89, Std = 1.1300, ChiSquare = 1.9171e-05 1.F59 HB2 = 1.6983(S), Expected = 3.00, Std = 0.3700, ChiSquare = 4.3464e-04 1.N64 H = 5.9471(S), Expected = 8.34, Std = 0.6300, ChiSquare = 1.4572e-04 1.Q65 HA = 0.403(A), Expected = 4.27, Std = 0.4400, ChiSquare = 1.5139e-18 1.Q65 SRO Rule Break>> HA > HB2 : 0.999621785173979 1.Q65 SRO Rule Break>> HA > HB3 : 0.999209798498617 1.Q65 SRO Rule Break>> HA > HG2 : 1 1.Q65 SRO Rule Break>> HA > HG3 : 0.999546896239239 1.E66 HG2 = 1.366(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.6717e-05 1.E70 HB2 = 2.733(S), Expected = 2.02, Std = 0.2100, ChiSquare = 6.8569e-04 1.E70 HB3 = 2.906(S), Expected = 1.99, Std = 0.2300, ChiSquare = 6.8163e-05 1.E71 HA = 2.337(S), Expected = 4.25, Std = 0.4100, ChiSquare = 3.0734e-06 1.E71 HB2 = -0.095(A), Expected = 2.02, Std = 0.2100, ChiSquare = 7.3897e-24 1.E71 HG2 = 1.356(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3467e-05 1.M77 HB2 = 0.171(S), Expected = 2.03, Std = 0.3400, ChiSquare = 4.5605e-08 1.M77 HB3 = 0.549(S), Expected = 1.99, Std = 0.3400, ChiSquare = 2.2528e-05 1.M77 HG2 = -0.046(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.8451e-12 1.M77 HG3 = 0.739(S), Expected = 2.39, Std = 0.3800, ChiSquare = 1.3944e-05