Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.7245 CA :: 62.7000 CB :: 32.1040 CG :: 27.3954 CD :: 50.4295 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 :: 4.3805 HB2 :: 1.8700 HB3 :: 2.2904 HG2 :: 2.0222 HG3 :: 2.0222 HD2 :: 3.6406 HD3 :: 3.8125 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) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.04 A 0.03 G 0.03 C Shift Assignments>> C :: 177.3504 CA :: 54.8775 CB :: 42.5044 CG :: 27.1121 CD1 :: 24.7343 CD2 :: 23.4237 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 :: 8.2281 HA :: 4.3304 HB2 :: 1.5817 HB3 :: 1.6390 HG :: 1.6759 HD11 :: 0.9448 HD12 :: 0.9448 HD13 :: 0.9448 HD21 :: 0.8912 HD22 :: 0.8912 HD23 :: 0.8912 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 :: 122.2680 Ave N Shift Values>> N :: 121.86(3.9) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.1 G 0.08 HN Overlap>> 1.D102 1.D102 C Shift Assignments>> C :: 176.0486 CA :: 56.0968 CB :: 30.8720 CG :: 27.0620 CD :: 43.2209 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 :: 8.3691 HA :: 4.3010 HB2 :: 1.7711 HB3 :: 1.8209 HG2 :: 1.6143 HG3 :: 1.6143 HD2 :: 3.1728 HD3 :: 3.1728 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.0134 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.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.14 C Shift Assignments>> C :: 175.7990 CA :: 55.6300 CB :: 33.3506 CG :: 24.6821 CD :: 28.8800 CE :: 41.8997 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 :: 8.2355 HA :: 4.3665 HB2 :: 1.5888 HB3 :: 1.7126 HG2 :: 1.3459 HG3 :: 1.3965 HD2 :: 1.6027 HD3 :: 1.8309 HE2 :: 2.9375 HE3 :: 2.9375 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 :: 122.4559 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.8004 CA :: 62.2163 CB :: 70.0518 CG2 :: 21.5978 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 :: 8.0179 HA :: 4.2233 HB :: 3.9575 HG21 :: 1.0789 HG22 :: 1.0789 HG23 :: 1.0789 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 :: 116.3930 Ave N Shift Values>> N :: 115.42(4.75) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.11 C Shift Assignments>> C :: 176.5102 CA :: 51.3991 CB :: 21.3244 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1209 HA :: 4.8321 HB1 :: 1.5815 HB2 :: 1.5815 HB3 :: 1.5815 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.6717 Ave N Shift Values>> N :: 123.23(3.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.1994 CA :: 62.3374 CB :: 34.5706 CG1 :: 20.9589 CG2 :: 21.4899 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 :: 8.8447 HA :: 4.6746 HB :: 1.8716 HG11 :: 0.7922 HG12 :: 0.7922 HG13 :: 0.7922 HG21 :: 0.9425 HG22 :: 0.9425 HG23 :: 0.9425 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 :: 120.9699 Ave N Shift Values>> N :: 121.14(4.54) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.27 A 0.27 R 0.01 C Shift Assignments>> C :: 175.4960 CA :: 52.0785 CB :: 44.3518 CG :: 26.5035 CD1 :: 25.5729 CD2 :: 21.7223 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 :: 8.9891 HA :: 5.2908 HB2 :: 1.1269 HB3 :: 1.7350 HG :: 1.4690 HD11 :: 0.2111 HD12 :: 0.2111 HD13 :: 0.2111 HD21 :: 0.3758 HD22 :: 0.3758 HD23 :: 0.3758 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.0387 Ave N Shift Values>> N :: 121.86(3.9) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.22 G 0.01 C Shift Assignments>> C :: 173.7812 CA :: 54.9166 CB :: 36.2236 CG :: 26.6677 CD :: 30.1021 CE :: 41.8162 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 :: 9.3355 HA :: 5.1497 HB2 :: 1.0812 HB3 :: 1.4388 HG2 :: 0.9320 HG3 :: 1.1784 HD2 :: 1.5249 HD3 :: 1.6481 HE2 :: 2.7007 HE3 :: 2.7007 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 :: 120.8662 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.2 A 0.05 R 0.02 C Shift Assignments>> C :: 173.7956 CA :: 52.5229 CB :: 44.9879 CG :: 27.4152 CD1 :: 27.1018 CD2 :: 23.3364 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 :: 8.4813 HA :: 5.1884 HB2 :: 1.0619 HB3 :: 1.7684 HG :: 1.4448 HD11 :: 0.7896 HD12 :: 0.7896 HD13 :: 0.7896 HD21 :: 0.8194 HD22 :: 0.8194 HD23 :: 0.8194 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 :: 124.5510 Ave N Shift Values>> N :: 121.86(3.9) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 D 0.13 N 0.13 L 0.07 I 0.05 E 0.02 M 0.01 C Shift Assignments>> C :: 175.9153 CA :: 56.2838 CB :: 38.9327 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 :: 9.5285 HA :: 5.4875 HB2 :: 2.6226 HB3 :: 2.9103 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 :: 127.1500 Ave N Shift Values>> N :: 120.52(4.2) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 A 0.39 I 0.06 C Shift Assignments>> C :: 173.8918 CA :: 58.5040 CB :: 35.9137 CG1 :: 21.6459 CG2 :: 17.3907 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1607 HA :: 4.7467 HB :: 2.1810 HG11 :: 0.8623 HG12 :: 0.8623 HG13 :: 0.8623 HG21 :: 0.7553 HG22 :: 0.7553 HG23 :: 0.7553 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 :: 114.8749 Ave N Shift Values>> N :: 121.14(4.54) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.05 C Shift Assignments>> C :: 176.2578 CA :: 50.0064 CB :: 18.4812 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2891 HA :: 4.8394 HB1 :: 1.2313 HB2 :: 1.2313 HB3 :: 1.2313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0438 Ave N Shift Values>> N :: 123.23(3.54) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 P 0.08 A 0.06 L 0.04 N 0.01 C Shift Assignments>> C :: 172.3524 CA :: 47.7063 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6424 HA2 :: 3.8445 HA3 :: 3.9056 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.7425 Ave N Shift Values>> N :: 109.67(3.87) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.08 Y 0.04 F 0.03 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 175.6089 CA :: 51.6534 CB :: 37.9247 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 :: 8.4334 HA :: 4.7733 HB2 :: 2.7015 HB3 :: 2.8114 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 :: 122.2167 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.5720 CA :: 60.936 CB :: 69.0958 CG2 :: 22.0639 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 :: 7.8929 HA :: 4.5605 HB :: 4.5644 HG21 :: 1.4609 HG22 :: 1.4609 HG23 :: 1.4609 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 :: 113.7002 Ave N Shift Values>> N :: 115.42(4.75) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.8589 CA :: 66.5694 CB :: 32.0953 CG :: 27.6771 CD :: 50.5746 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 :: 4.2107 HB2 :: 2.0134 HB3 :: 2.4000 HG2 :: 2.1032 HG3 :: 2.2393 HD2 :: 3.8883 HD3 :: 3.9905 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) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 Y 0.17 M 0.12 N 0.11 F 0.1 K 0.03 I 0.03 D 0.01 Q 0.01 C Shift Assignments>> C :: 179.2151 CA :: 55.9292 CB :: 36.7409 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 :: 9.0909 HA :: 4.4911 HB2 :: 2.8083 HB3 :: 2.9940 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 :: 114.4611 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.15 C Shift Assignments>> C :: 174.7242 CA :: 64.3859 CB :: 63.4448 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6843 HA :: 4.1204 HB2 :: 3.7161 HB3 :: 4.2902 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 :: 119.6731 Ave N Shift Values>> N :: 116.28(3.52) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.4756 CA :: 66.4271 CB :: 31.7508 CG1 :: 22.6154 CG2 :: 20.8161 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 :: 8.1531 HA :: 3.6042 HB :: 2.0543 HG11 :: 0.9569 HG12 :: 0.9569 HG13 :: 0.9569 HG21 :: 0.9569 HG22 :: 0.9569 HG23 :: 0.9569 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 :: 122.6303 Ave N Shift Values>> N :: 121.14(4.54) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.14 K 0.11 C Shift Assignments>> C :: 179.3157 CA :: 59.4258 CB :: 30.5169 CG :: 27.9678 CD :: 43.4476 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 :: 8.1718 HA :: 4.0573 HB2 :: 1.8658 HB3 :: 1.8658 HG2 :: 1.6916 HG3 :: 1.8426 HD2 :: 3.2343 HD3 :: 3.2806 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.9024 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.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 I 0.01 C Shift Assignments>> C :: 178.7535 CA :: 54.7388 CB :: 18.8628 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4035 HA :: 4.0577 HB1 :: 1.4598 HB2 :: 1.4598 HB3 :: 1.4598 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5152 Ave N Shift Values>> N :: 123.23(3.54) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 C Shift Assignments>> C :: 178.1070 CA :: 58.4511 CB :: 41.7700 CG :: 27.2382 CD1 :: 23.8584 CD2 :: 25.3579 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 :: 8.0583 HA :: 3.8346 HB2 :: 1.4629 HB3 :: 1.9140 HG :: 1.5705 HD11 :: 0.8963 HD12 :: 0.8963 HD13 :: 0.8963 HD21 :: 0.8963 HD22 :: 0.8963 HD23 :: 0.8963 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 :: 118.9610 Ave N Shift Values>> N :: 121.86(3.9) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 C Shift Assignments>> C :: 180.0371 CA :: 59.4540 CB :: 32.4169 CG :: 25.3628 CD :: 29.0710 CE :: 41.8740 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 :: 8.3348 HA :: 3.9843 HB2 :: 1.8753 HB3 :: 1.9144 HG2 :: 1.6373 HG3 :: 1.6373 HD2 :: 1.4573 HD3 :: 1.4573 HE2 :: 2.9272 HE3 :: 2.9272 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.3875 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.9071 CA :: 66.8896 CB :: 68.7862 CG2 :: 20.5256 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 :: 7.9983 HA :: 3.8940 HB :: 4.4558 HG21 :: 1.0629 HG22 :: 1.0629 HG23 :: 1.0629 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 :: 117.1208 Ave N Shift Values>> N :: 115.42(4.75) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.2 K 0.05 C Shift Assignments>> C :: 178.2920 CA :: 57.4575 CB :: 41.5004 CG :: 27.4588 CD1 :: 27.3414 CD2 :: 24.5497 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 :: 8.2787 HA :: 3.9213 HB2 :: 1.5997 HB3 :: 1.8433 HG :: 1.6098 HD11 :: 0.8442 HD12 :: 0.8442 HD13 :: 0.8442 HD21 :: 0.8442 HD22 :: 0.8442 HD23 :: 0.8442 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 :: 121.6997 Ave N Shift Values>> N :: 121.86(3.9) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.27 I 0.05 C Shift Assignments>> C :: 180.2150 CA :: 55.4046 CB :: 17.5408 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8803 HA :: 3.9587 HB1 :: 1.4363 HB2 :: 1.4363 HB3 :: 1.4363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.8463 Ave N Shift Values>> N :: 123.23(3.54) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 D 0.15 L 0.12 I 0.05 N 0.04 K 0.02 C Shift Assignments>> C :: 177.5468 CA :: 56.9265 CB :: 40.0085 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 :: 7.4560 HA :: 4.4619 HB2 :: 2.9240 HB3 :: 3.0458 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 :: 114.8022 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E96 1.E96 C Shift Assignments>> C :: 178.7302 CA :: 65.0751 CB :: 38.9901 CG1 :: 29.0168 CG2 :: 19.3244 CD1 :: 15.1602 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 :: 7.7357 HA :: 3.9431 HB :: 1.9967 HG12 :: 0.9880 HG13 :: 0.9880 HG21 :: 1.1152 HG22 :: 1.1152 HG23 :: 1.1152 HD11 :: 0.9237 HD12 :: 0.9237 HD13 :: 0.9237 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 :: 119.4135 Ave N Shift Values>> N :: 121.46(4.28) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 178.3022 CA :: 57.7312 CB :: 40.2422 CG :: 27.7526 CD1 :: 26.0710 CD2 :: 23.9507 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 :: 8.6417 HA :: 4.1386 HB2 :: 1.7559 HB3 :: 1.8718 HG :: 1.9331 HD11 :: 0.7832 HD12 :: 0.7832 HD13 :: 0.7832 HD21 :: 0.8273 HD22 :: 0.8273 HD23 :: 0.8273 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 :: 119.3617 Ave N Shift Values>> N :: 121.86(3.9) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.13 K 0.1 Q 0.1 I 0.05 C Shift Assignments>> C :: 176.9911 CA :: 57.3850 CB :: 30.2269 CG :: 36.1333 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 :: 7.5436 HA :: 4.2769 HB2 :: 2.1610 HB3 :: 2.1610 HG2 :: 2.4011 HG3 :: 2.4011 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 :: 116.0262 Ave N Shift Values>> N :: 120.67(3.48) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 C Shift Assignments>> C :: 177.1872 CA :: 57.0484 CB :: 33.6565 CG :: 24.9095 CD :: 28.8696 CE :: 41.9717 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 :: 7.5471 HA :: 4.4272 HB2 :: 1.8423 HB3 :: 1.8870 HG2 :: 1.3907 HG3 :: 1.3907 HD2 :: 1.6651 HD3 :: 1.6651 HE2 :: 2.9949 HE3 :: 2.9949 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 :: 118.3739 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.13 M 0.1 K 0.06 Q 0.05 C Shift Assignments>> C :: 177.2800 CA :: 58.9586 CB :: 30.4353 CG :: 36.3455 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 :: 9.4234 HA :: 4.1567 HB2 :: 1.4669 HB3 :: 1.7729 HG2 :: 2.1817 HG3 :: 2.2831 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 :: 120.6133 Ave N Shift Values>> N :: 120.67(3.48) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 D 0.13 L 0.13 I 0.06 K 0.04 N 0.02 C Shift Assignments>> C :: 175.1588 CA :: 57.2946 CB :: 40.2428 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 :: 7.8097 HA :: 4.7738 HB2 :: 2.7578 HB3 :: 3.8061 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 :: 113.1404 Ave N Shift Values>> N :: 120.45(4.18) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 C Shift Assignments>> C :: 178.5672 CA :: 58.6104 CB :: 31.7237 CG :: 24.3448 CD :: 28.9742 CE :: 41.9066 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 :: 7.7503 HA :: 4.3712 HB2 :: 1.7694 HB3 :: 1.7694 HG2 :: 1.4061 HG3 :: 1.4858 HD2 :: 1.7235 HD3 :: 1.7235 HE2 :: 3.0403 HE3 :: 3.0403 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.2042 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.1166 CA :: 45.6722 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1376 HA2 :: 3.7553 HA3 :: 4.1895 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.0760 Ave N Shift Values>> N :: 109.67(3.87) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.9860 CA :: 64.5070 CB :: 33.4958 CG1 :: 20.2128 CG2 :: 21.6353 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 :: 8.0032 HA :: 3.9054 HB :: 1.8767 HG11 :: 0.3326 HG12 :: 0.3326 HG13 :: 0.3326 HG21 :: 0.8799 HG22 :: 0.8799 HG23 :: 0.8799 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 :: 120.5939 Ave N Shift Values>> N :: 121.14(4.54) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.23 K 0.15 D 0.13 F 0.08 Y 0.05 G 0.01 C Shift Assignments>> C :: 175.2587 CA :: 55.7946 CB :: 42.7042 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 :: 7.4381 HA :: 5.4685 HB2 :: 2.5629 HB3 :: 2.7767 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 :: 113.0820 Ave N Shift Values>> N :: 120.52(4.2) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 L 0.04 C Shift Assignments>> C :: 175.1447 CA :: 50.5694 CB :: 21.0056 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8062 HA :: 4.6867 HB1 :: 1.3974 HB2 :: 1.3974 HB3 :: 1.3974 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.9149 Ave N Shift Values>> N :: 123.23(3.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.42 R 0.01 C Shift Assignments>> C :: 175.7381 CA :: 53.7362 CB :: 45.0793 CG :: 27.3637 CD1 :: 25.3078 CD2 :: 24.5489 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 :: 8.5786 HA :: 5.0222 HB2 :: 1.0243 HB3 :: 1.7650 HG :: 1.1845 HD11 :: 0.6763 HD12 :: 0.6763 HD13 :: 0.6763 HD21 :: 0.6581 HD22 :: 0.6581 HD23 :: 0.6581 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 :: 122.8554 Ave N Shift Values>> N :: 121.86(3.9) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.08 A 0.01 C Shift Assignments>> C :: 174.0851 CA :: 54.2639 CB :: 34.0727 CG :: 24.4114 CD :: 28.7141 CE :: 41.8343 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 :: 9.0091 HA :: 4.6073 HB2 :: 1.6139 HB3 :: 1.6543 HG2 :: 1.2864 HG3 :: 1.2864 HD2 :: 1.5310 HD3 :: 1.5957 HE2 :: 2.8324 HE3 :: 2.8969 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 :: 128.7184 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.7840 CA :: 61.7495 CB :: 32.6220 CG1 :: 21.7147 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 :: 8.5545 HA :: 4.6028 HB :: 1.9113 HG11 :: 0.8576 HG12 :: 0.8576 HG13 :: 0.8576 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 :: 124.8603 Ave N Shift Values>> N :: 121.14(4.54) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.7303 CA :: 59.0457 CB :: 39.2092 CG1 :: 27.2495 CG2 :: 18.4113 CD1 :: 12.4911 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 :: 9.1734 HA :: 4.2072 HB :: 1.5372 HG12 :: 0.9816 HG13 :: 0.9816 HG21 :: 0.8189 HG22 :: 0.8189 HG23 :: 0.8189 HD11 :: 0.4978 HD12 :: 0.4978 HD13 :: 0.4978 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 :: 130.8482 Ave N Shift Values>> N :: 121.46(4.28) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.29 L 0.17 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> C :: 178.7125 CA :: 51.9331 CB :: 40.9098 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 :: 8.9021 HA :: 5.2890 HB2 :: 2.3905 HB3 :: 2.9262 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.9020 Ave N Shift Values>> N :: 120.65(3.86) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.0423 CA :: 63.0488 CB :: 30.7831 CG1 :: 18.7342 CG2 :: 22.7406 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.3915 HA :: 3.9528 HB :: 2.3926 HG11 :: 0.9112 HG12 :: 0.9112 HG13 :: 0.9112 HG21 :: 1.0811 HG22 :: 1.0811 HG23 :: 1.0811 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.3263 Ave N Shift Values>> N :: 121.14(4.54) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.1 C Shift Assignments>> C :: 179.2228 CA :: 56.2759 CB :: 40.7420 CG :: 27.3312 CD1 :: 22.1281 CD2 :: 24.7408 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 :: 8.6695 HA :: 4.3296 HB2 :: 1.5718 HB3 :: 1.9313 HG :: 1.5478 HD11 :: 0.8560 HD12 :: 0.8560 HD13 :: 0.8560 HD21 :: 0.8878 HD22 :: 0.8878 HD23 :: 0.8878 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 :: 120.2502 Ave N Shift Values>> N :: 121.86(3.9) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 C Shift Assignments>> C :: 176.5787 CA :: 56.8449 CB :: 33.7956 CG :: 24.9432 CD :: 28.8618 CE :: 41.8669 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 :: 7.1818 HA :: 4.2667 HB2 :: 1.7755 HB3 :: 1.9127 HG2 :: 1.4114 HG3 :: 1.4750 HD2 :: 1.7296 HD3 :: 1.7296 HE2 :: 3.0342 HE3 :: 3.0342 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.9829 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.3 L 0.08 F 0.04 Y 0.03 C Shift Assignments>> C :: 171.9703 CA :: 51.2800 CB :: 40.0019 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 :: 7.8481 HA :: 5.3365 HB2 :: 2.5679 HB3 :: 2.8039 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 :: 114.6461 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.4427 CA :: 64.9896 CB :: 31.3865 CG :: 27.3326 CD :: 50.0497 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 :: 4.5134 HB2 :: 2.0425 HB3 :: 2.4145 HG2 :: 2.0799 HG3 :: 2.0799 HD2 :: 3.6262 HD3 :: 3.7658 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) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 R 0.23 K 0.23 E 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 178.3617 CA :: 58.5074 CB :: 27.2161 CG :: 33.7707 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 :: 8.8050 HA :: 4.2285 HB2 :: 2.1391 HB3 :: 2.1391 HG2 :: 2.4187 HG3 :: 2.5362 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.4320 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.02 R 0.02 C Shift Assignments>> C :: 178.7005 CA :: 56.8765 CB :: 41.3141 CG :: 26.9886 CD1 :: 22.7118 CD2 :: 25.1356 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 :: 7.5078 HA :: 4.2153 HB2 :: 1.6290 HB3 :: 1.8092 HG :: 1.7052 HD11 :: 0.9305 HD12 :: 0.9305 HD13 :: 0.9305 HD21 :: 0.9607 HD22 :: 0.9607 HD23 :: 0.9607 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 :: 119.9960 Ave N Shift Values>> N :: 121.86(3.9) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.48 I 0.02 C Shift Assignments>> C :: 178.7963 CA :: 54.5703 CB :: 17.9708 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2195 HA :: 3.9183 HB1 :: 1.4953 HB2 :: 1.4953 HB3 :: 1.4953 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6689 Ave N Shift Values>> N :: 123.23(3.54) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.17 K 0.14 Q 0.09 M 0.03 HN Overlap>> 1.K58 1.K58 C Shift Assignments>> C :: 180.1030 CA :: 58.8330 CB :: 29.4490 CG :: 36.0311 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 :: 7.6064 HA :: 4.0642 HB2 :: 2.1015 HB3 :: 2.1015 HG2 :: 2.2227 HG3 :: 2.3178 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 :: 117.1419 Ave N Shift Values>> N :: 120.67(3.48) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.2 K 0.12 Q 0.07 M 0.03 HN Overlap>> 1.D105 1.D105 C Shift Assignments>> C :: 177.7727 CA :: 59.2377 CB :: 29.5212 CG :: 36.0554 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 :: 8.2171 HA :: 3.9849 HB2 :: 2.0554 HB3 :: 2.1177 HG2 :: 2.3169 HG3 :: 2.3967 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 :: 120.8197 Ave N Shift Values>> N :: 120.67(3.48) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.3 L 0.11 F 0.11 Y 0.1 C Shift Assignments>> C :: 174.4224 CA :: 53.9678 CB :: 39.7149 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 :: 7.6937 HA :: 4.6741 HB2 :: 2.4676 HB3 :: 2.7362 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 :: 116.6272 Ave N Shift Values>> N :: 120.65(3.86) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 K 0.44 L 0.07 G 0.02 HN Overlap>> 1.E55 1.E55 C Shift Assignments>> C :: 175.2699 CA :: 56.3843 CB :: 28.8312 CG :: 24.4867 CD :: 28.8343 CE :: 42.1822 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 :: 7.6237 HA :: 3.8034 HB2 :: 1.7243 HB3 :: 1.9717 HG2 :: 1.3441 HG3 :: 1.3441 HD2 :: 1.5904 HD3 :: 1.5904 HE2 :: 3.0006 HE3 :: 3.0006 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.1747 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 I 0.34 M 0.01 V 0.01 C Shift Assignments>> C :: 175.9044 CA :: 58.1961 CB :: 35.3223 CG1 :: 25.3051 CG2 :: 16.7469 CD1 :: 8.5963 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 :: 8.1122 HA :: 3.9555 HB :: 1.6647 HG12 :: 0.9429 HG13 :: 0.9429 HG21 :: 0.4894 HG22 :: 0.4894 HG23 :: 0.4894 HD11 :: -0.0135 HD12 :: -0.0135 HD13 :: -0.0135 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 :: 120.2805 Ave N Shift Values>> N :: 121.46(4.28) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 A 0.09 G 0.07 R 0.04 C Shift Assignments>> C :: 176.1555 CA :: 54.7812 CB :: 42.9701 CG :: 27.1244 CD1 :: 22.6457 CD2 :: 24.5339 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 :: 8.3838 HA :: 4.3364 HB2 :: 1.5785 HB3 :: 1.5785 HG :: 1.5239 HD11 :: 0.7422 HD12 :: 0.7422 HD13 :: 0.7422 HD21 :: 0.8479 HD22 :: 0.8479 HD23 :: 0.8479 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.9974 Ave N Shift Values>> N :: 121.86(3.9) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 L 0.12 C Shift Assignments>> C :: 175.8801 CA :: 51.0927 CB :: 21.4938 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6434 HA :: 4.6049 HB1 :: 1.2810 HB2 :: 1.2810 HB3 :: 1.2810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4428 Ave N Shift Values>> N :: 123.23(3.54) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 A 0.03 C Shift Assignments>> C :: 172.2248 CA :: 57.8304 CB :: 70.8878 CG2 :: 22.6192 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 :: 8.3006 HA :: 4.5029 HB :: 3.9483 HG21 :: 0.9063 HG22 :: 0.9063 HG23 :: 0.9063 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 :: 109.1300 Ave N Shift Values>> N :: 115.42(4.75) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 A 0.1 G 0.05 C Shift Assignments>> C :: 176.1673 CA :: 61.7603 CB :: 34.0684 CG :: 24.4242 CD :: 49.6395 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 :: 5.4380 HB2 :: 1.8813 HB3 :: 2.3503 HG2 :: 1.9589 HG3 :: 2.0023 HD2 :: 3.2835 HD3 :: 3.8345 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) 1.T64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 180.8732(S) CA :: 62.4865 CB :: 73.187 CG2 :: 21.2548 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 :: 8.4768 HA :: 4.7164 HB :: 3.9318 HG21 :: 1.1748 HG22 :: 1.1748 HG23 :: 1.1748 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 :: 117.4261 Ave N Shift Values>> N :: 115.42(4.75) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.27 A 0.02 C Shift Assignments>> C :: 173.3409 CA :: 53.1511 CB :: 46.0989 CG :: 27.4655 CD1 :: 26.3613 CD2 :: 24.0539 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 :: 9.4646 HA :: 5.4337 HB2 :: 1.2278 HB3 :: 2.0271 HG :: 1.3266 HD11 :: 0.7437 HD12 :: 0.7437 HD13 :: 0.7437 HD21 :: 0.8404 HD22 :: 0.8404 HD23 :: 0.8404 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 :: 130.8216 Ave N Shift Values>> N :: 121.86(3.9) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.33 K 0.01 C Shift Assignments>> C :: 175.4426 CA :: 50.1731 CB :: 22.5707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.4253 HA :: 5.2625 HB1 :: 1.2753 HB2 :: 1.2753 HB3 :: 1.2753 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.7316 Ave N Shift Values>> N :: 123.23(3.54) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.35 A 0.01 C Shift Assignments>> C :: 175.8337 CA :: 56.1518 CB :: 31.1136 CG :: 23.4717 CD :: 28.7405 CE :: 41.8880 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 :: 9.0707 HA :: 4.8265 HB2 :: 1.6143 HB3 :: 1.7221 HG2 :: 1.5174 HG3 :: 1.6087 HD2 :: 1.4397 HD3 :: 1.7490 HE2 :: 2.7601 HE3 :: 2.8184 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 :: 124.3134 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.8123 CA :: 61.5694 CB :: 32.6417 CG1 :: 19.1615 CG2 :: 22.2316 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 :: 8.6610 HA :: 4.6416 HB :: 2.2358 HG11 :: 0.7981 HG12 :: 0.7981 HG13 :: 0.7981 HG21 :: 0.9505 HG22 :: 0.9505 HG23 :: 0.9505 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.2036 Ave N Shift Values>> N :: 121.14(4.54) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.33 A 0.03 C Shift Assignments>> C :: 174.9641 CA :: 52.5608 CB :: 46.3948 CG :: 27.0868 CD1 :: 24.8641 CD2 :: 23.9734 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 :: 7.3179 HA :: 4.3898 HB2 :: 1.5303 HB3 :: 1.5303 HG :: 1.5260 HD11 :: 0.9164 HD12 :: 0.9164 HD13 :: 0.9164 HD21 :: 0.9995 HD22 :: 0.9995 HD23 :: 0.9995 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 :: 120.2149 Ave N Shift Values>> N :: 121.86(3.9) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.7932 CB :: 32.3073 CG :: 25.1245 CD :: 49.7114 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 :: 4.7354 HB2 :: 2.0355 HB3 :: 2.3443 HG2 :: 1.8396 HG3 :: 1.8396 HD2 :: 3.5331 HD3 :: 3.5331 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) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.0261 CB :: 30.2827 CG :: 27.3893 CD :: 50.4803 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 :: 4.1124 HB2 :: 1.9370 HB3 :: 2.4184 HG2 :: 2.0763 HG3 :: 2.0763 HD2 :: 3.2945 HD3 :: 3.7411 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) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.8 P 0.16 G 0.01 C Shift Assignments>> C :: 175.8971 CA :: 61.2793 CB :: 35.1931 CG :: 24.1464 CD :: 50.3943 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 :: 4.6250 HB2 :: 2.0737 HB3 :: 2.3837 HG2 :: 1.6713 HG3 :: 1.9444 HD2 :: 3.4378 HD3 :: 3.4577 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) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.1113 CA :: 63.1144 CB :: 31.5554 CG1 :: 20.9064 CG2 :: 22.1022 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 :: 8.5558 HA :: 4.5475 HB :: 1.9684 HG11 :: 0.9125 HG12 :: 0.9125 HG13 :: 0.9125 HG21 :: 1.1461 HG22 :: 1.1461 HG23 :: 1.1461 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.6700 Ave N Shift Values>> N :: 121.14(4.54) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 K 0.39 G 0.15 C Shift Assignments>> C :: 174.9575 CA :: 53.6776 CB :: 33.9469 CG :: 26.2759 CD :: 42.9903 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 :: 8.8171 HA :: 4.8017 HB2 :: 1.7021 HB3 :: 1.7961 HG2 :: 1.6298 HG3 :: 1.6298 HD2 :: 3.1439 HD3 :: 3.2664 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 :: 126.8249 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.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.23 G 0.07 C Shift Assignments>> C :: 175.6310 CA :: 55.9191 CB :: 31.0313 CG :: 27.9428 CD :: 43.1895 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 :: 8.9385 HA :: 4.6670 HB2 :: 1.7449 HB3 :: 1.7687 HG2 :: 1.4627 HG3 :: 1.6635 HD2 :: 3.1472 HD3 :: 3.1472 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.6657 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.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.8031 CA :: 60.4008 CB :: 37.6104 CG1 :: 28.2884 CG2 :: 17.3902 CD1 :: 12.852 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 :: 8.7480 HA :: 4.2187 HB :: 1.7420 HG12 :: 1.1668 HG13 :: 1.2583 HG21 :: 0.7233 HG22 :: 0.7233 HG23 :: 0.7233 HD11 :: 0.6353 HD12 :: 0.6353 HD13 :: 0.6353 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 :: 126.6342 Ave N Shift Values>> N :: 121.46(4.28) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.6934 CA :: 60.1707 CB :: 39.0210 CG1 :: 26.9805 CG2 :: 17.4519 CD1 :: 12.7255 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 :: 8.2228 HA :: 4.3763 HB :: 1.8898 HG12 :: 1.1927 HG13 :: 1.4198 HG21 :: 0.8776 HG22 :: 0.8776 HG23 :: 0.8776 HD11 :: 0.8318 HD12 :: 0.8318 HD13 :: 0.8318 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.4274 Ave N Shift Values>> N :: 121.46(4.28) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.28 G 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.2945 CA :: 44.0209 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1017 HA2 :: 3.7800 HA3 :: 4.1619 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.6914 Ave N Shift Values>> N :: 109.67(3.87) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.25 L 0.17 F 0.09 Y 0.07 K 0.03 HN Overlap>> 1.I97 1.I97 C Shift Assignments>> C :: 176.9983 CA :: 53.5640 CB :: 40.4799 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 :: 8.0119 HA :: 4.5247 HB2 :: 2.6554 HB3 :: 2.8057 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 :: 118.5585 Ave N Shift Values>> N :: 120.65(3.86) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 A 0.21 R 0.06 C Shift Assignments>> C :: 175.1275 CA :: 55.1648 CB :: 41.2177 CG :: 26.7959 CD1 :: 22.2454 CD2 :: 26.5624 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 :: 8.4851 HA :: 3.9921 HB2 :: 1.6439 HB3 :: 1.6439 HG :: 1.8538 HD11 :: 0.6731 HD12 :: 0.6731 HD13 :: 0.6731 HD21 :: 0.7746 HD22 :: 0.7746 HD23 :: 0.7746 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 :: 125.3196 Ave N Shift Values>> N :: 121.86(3.9) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9068 CA :: 58.2605 CB :: 64.1191 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1382 HA :: 4.4211 HB2 :: 3.7642 HB3 :: 3.9795 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 :: 109.4565 Ave N Shift Values>> N :: 116.28(3.52) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.16 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 173.7653 CA :: 52.0421 CB :: 38.7201 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 :: 7.4890 HA :: 4.7574 HB2 :: 2.5279 HB3 :: 3.1892 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 :: 122.0382 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.26 G 0.07 C Shift Assignments>> C :: 176.8819 CA :: 60.1171 CB :: 30.5542 CG :: 28.2475 CD :: 42.8930 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 :: 8.6016 HA :: 3.5268 HB2 :: 1.7738 HB3 :: 1.9390 HG2 :: 1.4768 HG3 :: 1.4768 HD2 :: 3.2281 HD3 :: 3.2281 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 :: 126.4834 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.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.41 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.0332 CA :: 59.8408 CB :: 29.2830 CG :: 36.6701 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 :: 8.1526 HA :: 4.0016 HB2 :: 2.0726 HB3 :: 2.1685 HG2 :: 2.3418 HG3 :: 2.3418 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 :: 116.1769 Ave N Shift Values>> N :: 120.67(3.48) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 C Shift Assignments>> C :: 180.1101 CA :: 58.8818 CB :: 32.3894 CG :: 25.7813 CD :: 28.9880 CE :: 41.8846 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 :: 7.7205 HA :: 4.0454 HB2 :: 1.9299 HB3 :: 1.9299 HG2 :: 1.4245 HG3 :: 1.5762 HD2 :: 1.6663 HD3 :: 1.7334 HE2 :: 2.9977 HE3 :: 2.9977 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.4088 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D102 1.D102 C Shift Assignments>> C :: 177.2317 CA :: 66.8092 CB :: 31.3350 CG1 :: 22.4553 CG2 :: 23.8893 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 :: 8.2217 HA :: 3.4333 HB :: 1.8609 HG11 :: 0.7266 HG12 :: 0.7266 HG13 :: 0.7266 HG21 :: 0.9752 HG22 :: 0.9752 HG23 :: 0.9752 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 :: 122.1263 Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 K 0.39 R 0.07 G 0.02 C Shift Assignments>> C :: 178.9601 CA :: 59.3048 CB :: 42.2447 CG :: 27.2316 CD1 :: 25.2756 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 :: 8.4463 HA :: 3.9970 HB2 :: 1.7890 HB3 :: 1.9198 HG :: 1.6901 HD11 :: 0.9924 HD12 :: 0.9924 HD13 :: 0.9924 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 :: 120.8358 Ave N Shift Values>> N :: 121.86(3.9) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E95 1.E95 C Shift Assignments>> C :: 178.1835 CA :: 65.1081 CB :: 38.3723 CG1 :: 29.6019 CG2 :: 17.07 CD1 :: 13.2996 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 :: 7.7664 HA :: 3.6871 HB :: 1.8879 HG12 :: 1.2132 HG13 :: 1.8468 HG21 :: 0.9827 HG22 :: 0.9827 HG23 :: 0.9827 HD11 :: 0.9140 HD12 :: 0.9140 HD13 :: 0.9140 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 :: 117.8649 Ave N Shift Values>> N :: 121.46(4.28) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.03 HN Overlap>> 1.A94 1.A94 C Shift Assignments>> C :: 181.1311 CA :: 55.1511 CB :: 17.9065 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7033 HA :: 4.1271 HB1 :: 1.4609 HB2 :: 1.4609 HB3 :: 1.4609 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6218 Ave N Shift Values>> N :: 123.23(3.54) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.1 R 0.05 C Shift Assignments>> C :: 180.3222 CA :: 57.0791 CB :: 41.1759 CG :: 26.6430 CD1 :: 21.746 CD2 :: 25.8659 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 :: 8.6127 HA :: 3.9109 HB2 :: 0.6604 HB3 :: 1.6943 HG :: 1.6196 HD11 :: 0.1597 HD12 :: 0.1597 HD13 :: 0.1597 HD21 :: 0.4048 HD22 :: 0.4048 HD23 :: 0.4048 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.1404 Ave N Shift Values>> N :: 121.86(3.9) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.22 K 0.06 C Shift Assignments>> C :: 178.8505 CA :: 59.9034 CB :: 30.0488 CG :: 28.0207 CD :: 43.6010 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 :: 8.6963 HA :: 4.3188 HB2 :: 2.1378 HB3 :: 2.2063 HG2 :: 1.8395 HG3 :: 2.0475 HD2 :: 3.2373 HD3 :: 3.2789 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.0549 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.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.02 C Shift Assignments>> C :: 180.8019 CA :: 57.9643 CB :: 41.4741 CG :: 26.9209 CD1 :: 24.9159 CD2 :: 23.151 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 :: 8.2594 HA :: 4.1546 HB2 :: 1.6289 HB3 :: 1.8868 HG :: 1.8493 HD11 :: 0.9212 HD12 :: 0.9212 HD13 :: 0.9212 HD21 :: 0.9212 HD22 :: 0.9212 HD23 :: 0.9212 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 :: 121.0715 Ave N Shift Values>> N :: 121.86(3.9) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 178.1676 CA :: 57.2726 CB :: 41.8406 CG :: 26.5942 CD1 :: 25.1077 CD2 :: 24.3121 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 :: 7.9580 HA :: 4.1419 HB2 :: 1.7027 HB3 :: 1.7027 HG :: 1.8124 HD11 :: 0.7674 HD12 :: 0.7674 HD13 :: 0.7674 HD21 :: 0.8032 HD22 :: 0.8032 HD23 :: 0.8032 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 :: 119.6224 Ave N Shift Values>> N :: 121.86(3.9) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.33 I 0.03 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 180.3386 CA :: 54.9089 CB :: 17.3445 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6842 HA :: 3.9907 HB1 :: 1.5660 HB2 :: 1.5660 HB3 :: 1.5660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5710 Ave N Shift Values>> N :: 123.23(3.54) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.16 K 0.12 Q 0.06 M 0.03 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> C :: 178.3094 CA :: 58.3692 CB :: 29.5043 CG :: 36.3075 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 :: 7.7566 HA :: 4.1256 HB2 :: 2.1816 HB3 :: 2.1816 HG2 :: 2.3299 HG3 :: 2.5656 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 :: 117.8502 Ave N Shift Values>> N :: 120.67(3.48) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.11 K 0.1 M 0.08 Q 0.07 HN Overlap>> 1.I31 1.I31 C Shift Assignments>> C :: 178.5055 CA :: 58.0435 CB :: 29.9884 CG :: 36.2944 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 :: 7.7457 HA :: 4.2078 HB2 :: 2.2175 HB3 :: 2.2175 HG2 :: 2.3854 HG3 :: 2.3854 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 :: 119.4534 Ave N Shift Values>> N :: 120.67(3.48) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D79 1.D79 C Shift Assignments>> C :: 177.3292 CA :: 63.2216 CB :: 38.4836 CG1 :: 27.9361 CG2 :: 17.635 CD1 :: 14.2749 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 :: 7.9904 HA :: 3.8646 HB :: 1.9172 HG12 :: 1.0960 HG13 :: 1.7275 HG21 :: 0.9213 HG22 :: 0.9213 HG23 :: 0.9213 HD11 :: 0.7922 HD12 :: 0.7922 HD13 :: 0.7922 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 :: 118.5337 Ave N Shift Values>> N :: 121.46(4.28) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.6757 CA :: 45.6165 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9180 HA2 :: 3.9290 HA3 :: 3.9290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2124 Ave N Shift Values>> N :: 109.67(3.87) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.1 F 0.09 Y 0.06 R 0.01 C Shift Assignments>> C :: 175.7655 CA :: 53.9670 CB :: 41.1972 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 :: 7.9906 HA :: 4.6972 HB2 :: 2.5622 HB3 :: 2.7066 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 :: 120.2457 Ave N Shift Values>> N :: 120.65(3.86) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.32 I 0.16 D 0.03 E 0.03 L 0.03 N 0.02 M 0.01 C Shift Assignments>> C :: 175.2968 CA :: 58.0741 CB :: 38.6597 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 :: 8.0009 HA :: 4.5110 HB2 :: 3.0191 HB3 :: 3.0191 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 :: 121.4688 Ave N Shift Values>> N :: 120.52(4.2) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.14 C Shift Assignments>> C :: 175.5712 CA :: 55.4901 CB :: 33.7220 CG :: 24.0858 CD :: 28.7395 CE :: 41.9457 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 :: 8.1077 HA :: 4.3272 HB2 :: 1.6749 HB3 :: 1.7729 HG2 :: 1.3602 HG3 :: 1.3602 HE2 :: 2.9954 HE3 :: 2.9954 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 :: 124.5546 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.26 K 0.15 F 0.09 N 0.07 Y 0.06 R 0.03 HN Overlap>> 1.R5 1.V86 1.R5 1.V86 C Shift Assignments>> C :: 176.0793 CA :: 54.3336 CB :: 41.5232 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 :: 8.3013 HA :: 4.5409 HB2 :: 2.5937 HB3 :: 2.7159 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.0755 Ave N Shift Values>> N :: 120.65(3.86) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.1541 CA :: 54.5860 CB :: 41.2740 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 :: 8.3195 HA :: 4.5726 HB2 :: 2.6083 HB3 :: 2.6960 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 :: 120.5770 Ave N Shift Values>> N :: 120.65(3.86) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.1 N 0.08 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.0497 CA :: 54.6298 CB :: 41.2395 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 :: 8.3109 HA :: 4.6001 HB2 :: 2.6240 HB3 :: 2.7084 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 :: 120.1735 Ave N Shift Values>> N :: 120.65(3.86) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.12 F 0.1 K 0.09 Y 0.08 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 175.2101 CA :: 54.3406 CB :: 40.9991 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 :: 8.2611 HA :: 4.6222 HB2 :: 2.6311 HB3 :: 2.7258 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 :: 120.7662 Ave N Shift Values>> N :: 120.65(3.86) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 M 0.24 R 0.07 V 0.06 E 0.04 Y 0.01 C Shift Assignments>> C :: 171.5385 CA :: 57.6270 CB :: 33.7226 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 :: 7.7264 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 :: 126.1221 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 104 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 465 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 761 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T64 C = 180.8732(S), Expected = 174.54, Std = 1.7600, ChiSquare = 3.2017e-04