Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.0697 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.2 C 0.09 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 175.6478 CA :: 53.4160 CB :: 39.0103 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 :: 8.6132 HA :: 4.7350 HB2 :: 2.8563 HB3 :: 2.7849 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 :: 122.1497 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1157 CA :: 45.5945 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3589 HA2 :: 3.9287 HA3 :: 3.9287 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6185 Ave N Shift Values>> N :: 109.67(3.87) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 M 0.21 C 0.19 Q 0.17 R 0.1 E 0.04 V 0.02 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> C :: 176.3199 CA :: 56.6390 CB :: 32.9937 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 :: 8.0971 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 :: 120.8432 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.17 I 0.12 D 0.03 L 0.03 E 0.02 N 0.01 HN Overlap>> 1.I142 1.I142 C Shift Assignments>> C :: 175.5145 CA :: 57.9666 CB :: 38.8299 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 :: 8.0912 HA :: 4.5165 HB2 :: 2.9635 HB3 :: 2.8616 HD1 :: 7.0287 HD2 :: 7.0287 HE1 :: 6.7941 HE2 :: 6.7941 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 :: 120.4278 Ave N Shift Values>> N :: 120.52(4.2) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.14 I 0.09 D 0.07 L 0.07 N 0.01 K 0.01 C Shift Assignments>> C :: 175.4845 CA :: 57.7994 CB :: 39.8135 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 :: 8.0661 HA :: 4.5927 HB2 :: 3.1281 HB3 :: 2.9958 HD1 :: 7.2544 HD2 :: 7.2544 HE1 :: 7.3197 HE2 :: 7.3197 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.6775 Ave N Shift Values>> N :: 120.45(4.18) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3763 CA :: 58.2947 CB :: 64.0181 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1874 HA :: 4.3921 HB2 :: 3.8283 HB3 :: 3.8780 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.4406 Ave N Shift Values>> N :: 116.28(3.52) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 M 0.21 C 0.19 Q 0.18 R 0.09 E 0.04 V 0.02 C Shift Assignments>> C :: 176.8205 CA :: 56.6726 CB :: 33.0439 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 :: 8.3253 HA :: 4.3575 HB2 :: 1.8843 HB3 :: 1.7814 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 :: 123.6335 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.K4 1.K4 C Shift Assignments>> C :: 176.6567 CA :: 62.8503 CB :: 32.5793 CG1 :: 21.1440 CG2 :: 20.9285 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 :: 8.1276 HA :: 4.1180 HB :: 2.0804 HG11 :: 0.9451 HG12 :: 0.9451 HG13 :: 0.9451 HG21 :: 0.9737 HG22 :: 0.9737 HG23 :: 0.9737 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 :: 120.8227 Ave N Shift Values>> N :: 121.14(4.54) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.5634 CA :: 45.5053 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4536 HA2 :: 4.0819 HA3 :: 4.0200 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.5894 Ave N Shift Values>> N :: 109.67(3.87) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5337 CA :: 59.3312 CB :: 63.6936 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2911 HA :: 4.3883 HB2 :: 3.9621 HB3 :: 3.8948 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.0409 Ave N Shift Values>> N :: 116.28(3.52) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.31 C 0.02 I 0.01 C Shift Assignments>> C :: 179.3715 CA :: 54.2848 CB :: 18.7213 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4619 HA :: 4.2463 HB1 :: 1.4618 HB2 :: 1.4618 HB3 :: 1.4618 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9418 Ave N Shift Values>> N :: 123.23(3.54) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.9554 CA :: 46.4757 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3470 HA2 :: 3.8462 HA3 :: 3.7901 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3938 Ave N Shift Values>> N :: 109.67(3.87) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.03 C Shift Assignments>> C :: 178.5767 CA :: 57.4514 CB :: 41.6592 CG :: 27.2852 CD1 :: 25.3760 CD2 :: 24.3256 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 :: 7.8625 HA :: 4.0554 HB2 :: 1.8143 HB3 :: 1.5465 HG :: 1.5983 HD11 :: 0.6503 HD12 :: 0.6503 HD13 :: 0.6503 HD21 :: 0.6636 HD22 :: 0.6636 HD23 :: 0.6636 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 :: 120.3282 Ave N Shift Values>> N :: 121.86(3.9) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.12 C Shift Assignments>> C :: 178.0637 CA :: 58.9840 CB :: 32.1872 CG :: 24.9869 CD :: 29.0311 CE :: 42.2394 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 :: 7.9719 HA :: 4.1453 HB2 :: 1.8657 HB3 :: 1.8170 HG2 :: 1.3971 HG3 :: 1.3971 HD2 :: 1.6655 HD3 :: 1.6655 HE2 :: 2.9734 HE3 :: 2.9734 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 :: 119.9527 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.2 E 0.1 I 0.05 R 0.04 C Shift Assignments>> C :: 179.0779 CA :: 59.1115 CB :: 28.2522 CG :: 34.3804 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 :: 8.0217 HA :: 4.0439 HB2 :: 2.0717 HB3 :: 1.8992 HG2 :: 2.3600 HG3 :: 2.3600 HE21 :: 6.7607 HE22 :: 7.3583 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.0030 NE2 :: 111.0069 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.39 R 0.18 G 0.01 C Shift Assignments>> C :: 178.2534 CA :: 58.0899 CB :: 42.4123 CG :: 27.2880 CD1 :: 26.6183 CD2 :: 23.7109 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 :: 7.6949 HA :: 4.2922 HB2 :: 1.8779 HB3 :: 1.5358 HG :: 1.4177 HD11 :: 0.7191 HD12 :: 0.7191 HD13 :: 0.7191 HD21 :: 0.7315 HD22 :: 0.7315 HD23 :: 0.7315 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 :: 119.6082 Ave N Shift Values>> N :: 121.86(3.9) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 177.6946 CA :: 66.4497 CB :: 66.9915 CG2 :: 22.8884 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 :: 8.7376 HA :: 3.6491 HB :: 4.1840 HG21 :: 1.2369 HG22 :: 1.2369 HG23 :: 1.2369 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 :: 110.7787 Ave N Shift Values>> N :: 115.42(4.75) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.19 C 0.17 N 0.16 D 0.09 E 0.04 L 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 178.3899 CA :: 55.9085 CB :: 38.3922 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 :: 8.3057 HA :: 4.5953 HB2 :: 2.9590 HB3 :: 2.7753 HD21 :: 6.9358 HD22 :: 7.6889 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 :: 119.9041 ND2 :: 111.6208 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.28 C Shift Assignments>> C :: 178.1425 CA :: 57.3396 CB :: 32.0501 CG :: 24.2721 CD :: 27.7779 CE :: 42.2063 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 :: 7.5578 HA :: 4.1862 HB2 :: 2.0380 HB3 :: 2.0380 HG2 :: 1.5617 HG3 :: 1.3669 HD2 :: 1.7711 HD3 :: 1.6882 HE2 :: 2.8729 HE3 :: 2.8729 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 :: 120.0469 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.24 A 0.18 R 0.04 G 0.02 C Shift Assignments>> C :: 175.0698 CA :: 54.9512 CB :: 42.4253 CG :: 26.2993 CD1 :: 25.6565 CD2 :: 21.4911 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 :: 7.9090 HA :: 4.1244 HB2 :: 1.5325 HB3 :: 1.5929 HG :: 1.8370 HD11 :: 0.6361 HD12 :: 0.6361 HD13 :: 0.6361 HD21 :: 0.7276 HD22 :: 0.7276 HD23 :: 0.7276 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 :: 116.6055 Ave N Shift Values>> N :: 121.86(3.9) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.2 Y 0.15 F 0.15 C 0.11 L 0.08 I 0.01 C Shift Assignments>> C :: 174.7664 CA :: 54.9537 CB :: 39.1629 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 :: 7.8124 HA :: 4.3546 HB2 :: 3.1572 HB3 :: 2.3838 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.9107 Ave N Shift Values>> N :: 120.65(3.86) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.48 C Shift Assignments>> C :: 175.1310 CA :: 59.1932 CB :: 40.8772 CG1 :: 24.9887 CG2 :: 17.9567 CD1 :: 13.9419 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 :: 7.6997 HA :: 4.6718 HB :: 2.0745 HG12 :: 1.3749 HG13 :: 0.9468 HG21 :: 0.8506 HG22 :: 0.8506 HG23 :: 0.8506 HD11 :: 0.6970 HD12 :: 0.6970 HD13 :: 0.6970 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 :: 111.4711 Ave N Shift Values>> N :: 121.46(4.28) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 174.3244 CA :: 53.4571 CB :: 38.9281 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 :: 8.2374 HA :: 4.4082 HB2 :: 2.7352 HB3 :: 2.5581 HD21 :: 6.9093 HD22 :: 7.7919 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 :: 119.0583 ND2 :: 113.8455 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 I 0.06 K 0.05 M 0.05 Q 0.03 C Shift Assignments>> C :: 176.3566 CA :: 57.5698 CB :: 30.0000 CG :: 36.5889 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 :: 8.1090 HA :: 4.1010 HB2 :: 1.9160 HB3 :: 1.8782 HG2 :: 2.3199 HG3 :: 2.1858 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 :: 118.4887 Ave N Shift Values>> N :: 120.67(3.48) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.21 M 0.16 Q 0.13 R 0.1 V 0.07 E 0.05 C Shift Assignments>> C :: 173.0009 CA :: 58.0735 CB :: 32.8271 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4341 HA :: 4.8130 HB2 :: 2.6565 HB3 :: 2.6936 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.0728 Ave N Shift Values>> N :: 120.17(4.64) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.15 C 0.06 M 0.01 C Shift Assignments>> C :: 177.6116 CA :: 52.8659 CB :: 21.1553 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0474 HA :: 4.4394 HB1 :: 1.4876 HB2 :: 1.4876 HB3 :: 1.4876 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1631 Ave N Shift Values>> N :: 123.23(3.54) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 T 0.19 A 0.04 C Shift Assignments>> C :: 174.7124 CA :: 58.2678 CB :: 73.5197 CG2 :: 21.6806 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 :: 7.1750 HA :: 4.7273 HB :: 4.6088 HG21 :: 1.1646 HG22 :: 1.1646 HG23 :: 1.1646 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 :: 104.8464 Ave N Shift Values>> N :: 115.42(4.75) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.8228 CA :: 66.4519 CB :: 31.5944 CG1 :: 21.2188 CG2 :: 23.9070 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 :: 8.9437 HA :: 3.5251 HB :: 2.0093 HG11 :: 0.8363 HG12 :: 0.8363 HG13 :: 0.8363 HG21 :: 1.0688 HG22 :: 1.0688 HG23 :: 1.0688 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 :: 121.7659 Ave N Shift Values>> N :: 121.14(4.54) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 I 0.08 D 0.07 K 0.04 N 0.01 HN Overlap>> 1.N72 1.N72 C Shift Assignments>> C :: 178.7128 CA :: 57.9595 CB :: 40.3422 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 :: 8.0658 HA :: 4.1785 HB2 :: 2.6725 HB3 :: 2.4899 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 :: 119.1537 Ave N Shift Values>> N :: 120.65(3.86) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 I 0.11 M 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.5670 CA :: 59.1380 CB :: 30.3531 CG :: 36.8249 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 :: 7.6922 HA :: 4.0476 HB2 :: 2.1797 HB3 :: 2.0711 HG2 :: 2.3995 HG3 :: 2.3679 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 :: 119.1032 Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.36 R 0.14 G 0.01 C Shift Assignments>> C :: 178.2089 CA :: 58.3509 CB :: 42.1490 CG :: 26.8356 CD1 :: 27.0476 CD2 :: 25.1486 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 :: 7.6850 HA :: 4.3366 HB2 :: 1.9770 HB3 :: 1.4210 HG :: 1.4589 HD11 :: 0.6983 HD12 :: 0.6983 HD13 :: 0.6983 HD21 :: 0.7721 HD22 :: 0.7721 HD23 :: 0.7721 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 :: 121.7352 Ave N Shift Values>> N :: 121.86(3.9) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> C :: 177.0501 CA :: 67.6533 CB :: 31.6315 CG1 :: 21.2963 CG2 :: 24.4008 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 :: 8.4667 HA :: 3.2430 HB :: 2.1634 HG11 :: 0.8238 HG12 :: 0.8238 HG13 :: 0.8238 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 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 :: 119.1313 Ave N Shift Values>> N :: 121.14(4.54) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.12 C 0.11 D 0.1 K 0.07 I 0.05 N 0.01 C Shift Assignments>> C :: 178.8689 CA :: 57.5357 CB :: 40.5458 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 :: 7.4577 HA :: 4.3816 HB2 :: 2.7833 HB3 :: 2.6486 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 :: 118.4800 Ave N Shift Values>> N :: 120.65(3.86) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.08 K 0.07 Q 0.06 M 0.04 C Shift Assignments>> C :: 180.0709 CA :: 58.9901 CB :: 29.9322 CG :: 35.9442 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 :: 8.1618 HA :: 3.9852 HB2 :: 2.1533 HB3 :: 2.0370 HG2 :: 2.4020 HG3 :: 2.2447 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 :: 118.3045 Ave N Shift Values>> N :: 120.67(3.48) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.3144 CA :: 66.0317 CB :: 37.6272 CG1 :: 29.6470 CG2 :: 17.8821 CD1 :: 14.9693 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 :: 8.6403 HA :: 3.4579 HB :: 1.7686 HG12 :: 1.8455 HG13 :: 0.7136 HG21 :: 0.7060 HG22 :: 0.7060 HG23 :: 0.7060 HD11 :: 0.6094 HD12 :: 0.6094 HD13 :: 0.6094 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 :: 121.3723 Ave N Shift Values>> N :: 121.46(4.28) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.17 F 0.15 C 0.14 D 0.12 L 0.04 E 0.03 I 0.02 M 0.01 HN Overlap>> 1.T41 1.T41 C Shift Assignments>> C :: 177.3203 CA :: 55.0746 CB :: 38.4707 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 :: 8.1987 HA :: 4.4558 HB2 :: 2.8293 HB3 :: 2.7369 HD21 :: 6.5929 HD22 :: 7.4785 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 :: 115.1525 ND2 :: 111.3578 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 176.5478 CA :: 57.4438 CB :: 33.5679 CG :: 25.3908 CD :: 29.6133 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 :: 7.2869 HA :: 4.2517 HB2 :: 1.9895 HB3 :: 1.8584 HG2 :: 1.6740 HG3 :: 1.4553 HD2 :: 1.6880 HD3 :: 1.6221 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 :: 116.7300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3746 CA :: 55.6924 CB :: 63.2961 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7104 HA :: 4.8922 HB2 :: 3.8443 HB3 :: 3.8443 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6740 Ave N Shift Values>> N :: 116.28(3.52) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 P 0.11 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 176.6200 CA :: 47.8205 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9895 HA2 :: 4.0575 HA3 :: 3.8794 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.4403 Ave N Shift Values>> N :: 109.67(3.87) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 176.9566 CA :: 65.5835 CB :: 68.5943 CG2 :: 22.1506 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 :: 8.2271 HA :: 4.0284 HB :: 4.1099 HG21 :: 1.2774 HG22 :: 1.2774 HG23 :: 1.2774 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1078 Ave N Shift Values>> N :: 115.42(4.75) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 177.3982 CA :: 66.2547 CB :: 31.5968 CG1 :: 23.8377 CG2 :: 23.3431 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 :: 7.7538 HA :: 3.6892 HB :: 2.1790 HG11 :: 1.0171 HG12 :: 1.0171 HG13 :: 1.0171 HG21 :: 1.0961 HG22 :: 1.0961 HG23 :: 1.0961 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 :: 124.3204 Ave N Shift Values>> N :: 121.14(4.54) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.26 K 0.13 G 0.03 C Shift Assignments>> C :: 177.8468 CA :: 61.3184 CB :: 32.3441 CG :: 26.5738 CD :: 30.0343 CE :: 42.5498 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 :: 8.4289 HA :: 3.6823 HB2 :: 2.0335 HB3 :: 1.9899 HG2 :: 1.6343 HG3 :: 1.3787 HD2 :: 1.8711 HD3 :: 1.8384 HE2 :: 3.0679 HE3 :: 2.8257 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 :: 120.6122 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.38 G 0.1 K 0.03 C Shift Assignments>> C :: 177.9030 CA :: 59.5327 CB :: 30.1363 CG :: 27.9890 CD :: 43.5901 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 :: 7.7386 HA :: 3.9318 HB2 :: 1.9235 HB3 :: 1.8645 HG2 :: 1.7638 HG3 :: 1.6164 HD2 :: 3.2529 HD3 :: 3.2027 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 :: 116.4034 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.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.36 R 0.06 V 0.03 Q 0.02 C Shift Assignments>> C :: 178.4912 CA :: 59.5340 CB :: 32.5998 CG :: 25.0873 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 :: 7.4801 HA :: 4.0929 HB2 :: 2.0109 HB3 :: 1.9674 HG2 :: 1.5929 HG3 :: 1.2499 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 :: 119.8463 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.6155 CA :: 62.8447 CB :: 37.5519 CG1 :: 28.7140 CG2 :: 17.8217 CD1 :: 13.0094 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 :: 7.9654 HA :: 3.8921 HB :: 1.9498 HG12 :: 1.6017 HG13 :: 1.3797 HG21 :: 1.0176 HG22 :: 1.0176 HG23 :: 1.0176 HD11 :: 0.7384 HD12 :: 0.7384 HD13 :: 0.7384 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 :: 115.3570 Ave N Shift Values>> N :: 121.46(4.28) 1.K47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.07 HN Overlap>> 1.R56 1.R56 C Shift Assignments>> C :: 178.2290 CA :: 59.4517 CB :: 32.8304 CG :: 24.5290 CD :: 29.2541 CE :: 42.1933 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 :: 8.0108 HA :: 3.2133 HB2 :: 1.6019 HB3 :: 1.4384 HG2 :: 0.9034 HG3 :: 0.2501(S) HD2 :: 1.3270 HD3 :: 1.2806 HE2 :: 2.7536 HE3 :: 2.7536 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 :: 120.1274 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.27 F 0.11 L 0.11 Y 0.1 C 0.08 C Shift Assignments>> C :: 174.8683 CA :: 54.1961 CB :: 39.6936 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 :: 7.4874 HA :: 4.5393 HB2 :: 2.8915 HB3 :: 2.7673 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 :: 113.0388 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.3 E 0.16 Q 0.12 C Shift Assignments>> C :: 175.0348 CA :: 55.0160 CB :: 32.0086 CG :: 34.9913 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.5898 HA :: 4.6661 HB2 :: 2.0468 HB3 :: 1.9593 HG2 :: 2.5431 HG3 :: 2.4785 HE21 :: 6.8124 HE22 :: 7.2751 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.4739 NE2 :: 109.3362 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6315 CA :: 57.4236 CB :: 64.5810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2726 HA :: 4.3551 HB2 :: 4.6263 HB3 :: 4.1205 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.3424 Ave N Shift Values>> N :: 116.28(3.52) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 180.4660 CA :: 55.6069 CB :: 17.9594 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1326 HA :: 3.9049 HB1 :: 0.9588 HB2 :: 0.9588 HB3 :: 0.9588 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7311 Ave N Shift Values>> N :: 123.23(3.54) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 F 0.16 C 0.16 Y 0.13 K 0.01 C Shift Assignments>> C :: 175.5347 CA :: 63.0319 CB :: 41.0156 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 :: 9.4392 HA :: 4.2794 HB2 :: 3.4418 HB3 :: 3.2669 HD1 :: 7.3188 HD2 :: 7.3188 HE1 :: 7.2908 HE2 :: 7.2908 HZ :: 7.0072 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.2551 Ave N Shift Values>> N :: 120.45(4.18) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.2 Y 0.17 L 0.14 C 0.09 D 0.07 I 0.04 R 0.02 C Shift Assignments>> C :: 178.5108 CA :: 57.8488 CB :: 41.3326 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 :: 8.3775 HA :: 4.3891 HB2 :: 2.8614 HB3 :: 2.7647 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 :: 119.7865 Ave N Shift Values>> N :: 120.65(3.86) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.41 R 0.12 G 0.01 C Shift Assignments>> C :: 179.3748 CA :: 58.2763 CB :: 42.2205 CG :: 27.5983 CD1 :: 25.8215 CD2 :: 24.2564 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 :: 8.6511 HA :: 3.9719 HB2 :: 1.5456 HB3 :: 1.4519 HG :: 1.4111 HD11 :: 0.7447 HD12 :: 0.7447 HD13 :: 0.7447 HD21 :: 0.7930 HD22 :: 0.7930 HD23 :: 0.7930 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 :: 119.5613 Ave N Shift Values>> N :: 121.86(3.9) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.29 V 0.24 T 0.21 I 0.16 C 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.1679 CA :: 63.2683 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9295 HA :: 3.8936 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.7051 Ave N Shift Values>> N :: 116.28(3.52) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.21 K 0.16 L 0.04 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 178.7786 CA :: 60.0712 CB :: 28.2936 CG :: 26.5949 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 :: 8.0232 HA :: 3.3721 HB2 :: 1.7308 HB3 :: 1.1076 HG2 :: 1.4425 HG3 :: 0.7844 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.1176 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.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.34 I 0.18 K 0.04 M 0.01 Q 0.01 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> C :: 180.0332 CA :: 59.4929 CB :: 29.6801 CG :: 36.5928 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 :: 8.4660 HA :: 3.8705 HB2 :: 2.1853 HB3 :: 2.0214 HG2 :: 2.3924 HG3 :: 2.0860 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 :: 119.1727 Ave N Shift Values>> N :: 120.67(3.48) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.37 C 0.1 C Shift Assignments>> C :: 175.1473 CA :: 63.3748 CB :: 26.7785 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0924 HA :: 3.9282 HB2 :: 2.5272 HB3 :: 3.1211 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.6382 Ave N Shift Values>> N :: 120.17(4.64) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.31 A 0.07 R 0.04 C Shift Assignments>> C :: 177.2440 CA :: 54.7163 CB :: 41.5952 CG :: 27.4029 CD1 :: 22.7526 CD2 :: 25.5000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.8783 HA :: 4.0378 HB2 :: 0.9670 HB3 :: 0.8335 HG :: 1.4991 HD11 :: 0.7063 HD12 :: 0.7063 HD13 :: 0.7063 HD21 :: 0.8369 HD22 :: 0.8369 HD23 :: 0.8369 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 :: 117.7579 Ave N Shift Values>> N :: 121.86(3.9) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.6627 CA :: 45.7761 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6799 HA2 :: 3.8659 HA3 :: 3.6973 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.6813 Ave N Shift Values>> N :: 109.67(3.87) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.17 E 0.08 Y 0.07 M 0.05 F 0.05 D 0.04 C Shift Assignments>> CA :: 53.3449 CB :: 37.1752 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 :: 6.5242 HA :: 5.0369 HB2 :: 2.9152 HB3 :: 2.3002 HD1 :: 6.5830 HD2 :: 6.5830 HE1 :: 6.6430 HE2 :: 6.6430 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 :: 118.2557 Ave N Shift Values>> N :: 120.52(4.2) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.4926 CA :: 62.7754 CB :: 32.1247 CG :: 28.1044 CD :: 51.0210 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 :: 4.4702 HB2 :: 2.4211 HB3 :: 2.1148 HG2 :: 2.2399 HG3 :: 2.1671 HD2 :: 4.1948 HD3 :: 3.6490 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.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.25 E 0.19 M 0.01 C Shift Assignments>> C :: 177.4985 CA :: 61.4935 CB :: 30.5138 CG :: 36.6950 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 :: 8.8594 HA :: 3.7521 HB2 :: 2.1103 HB3 :: 2.0128 HG2 :: 2.3141 HG3 :: 2.2577 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.7626 Ave N Shift Values>> N :: 120.67(3.48) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.07 C 0.02 C Shift Assignments>> C :: 180.7827 CA :: 55.8395 CB :: 17.8578 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8311 HA :: 4.1390 HB1 :: 1.4595 HB2 :: 1.4595 HB3 :: 1.4595 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5304 Ave N Shift Values>> N :: 123.23(3.54) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 L 0.17 D 0.15 K 0.12 C 0.09 I 0.02 N 0.02 C Shift Assignments>> C :: 176.5585 CA :: 56.8229 CB :: 40.8917 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 :: 7.3413 HA :: 4.2779 HB2 :: 2.4024 HB3 :: 2.3804 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 :: 116.8294 Ave N Shift Values>> N :: 120.65(3.86) 1.F66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.48 F 0.18 Y 0.15 C 0.15 C Shift Assignments>> C :: 176.9208 CA :: 62.4339 CB :: 40.5670 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 :: 7.9642 HA :: 3.9536 HB2 :: 3.0289 HB3 :: 2.9941 HD1 :: 6.8553 HD2 :: 6.8553 HE1 :: 6.3303 HE2 :: 6.3303 HZ :: 4.8687(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.2418 Ave N Shift Values>> N :: 120.45(4.18) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.2348 CA :: 64.9550 CB :: 37.2734 CG1 :: 30.0417 CG2 :: 17.9597 CD1 :: 13.1495 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 :: 8.5625 HA :: 3.6201 HB :: 2.0604 HG12 :: 1.9342 HG13 :: 1.4091 HG21 :: 0.9765 HG22 :: 0.9765 HG23 :: 0.9765 HD11 :: 1.0176 HD12 :: 1.0176 HD13 :: 1.0176 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 :: 118.1777 Ave N Shift Values>> N :: 121.46(4.28) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.L122 1.L122 C Shift Assignments>> C :: 176.1582 CA :: 67.0183 CB :: 68.2870 CG2 :: 21.7512 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 :: 7.8300 HA :: 3.8264 HB :: 4.3197 HG21 :: 1.1028 HG22 :: 1.1028 HG23 :: 1.1028 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 :: 116.5076 Ave N Shift Values>> N :: 115.42(4.75) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.2 C Shift Assignments>> C :: 178.6261 CA :: 58.6619 CB :: 40.3570 CG :: 26.9045 CD1 :: 22.4202 CD2 :: 26.7856 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 :: 7.5521 HA :: 3.9811 HB2 :: 1.8779 HB3 :: 1.3798 HG :: 1.3030 HD11 :: 0.5884 HD12 :: 0.5884 HD13 :: 0.5884 HD21 :: 0.7512 HD22 :: 0.7512 HD23 :: 0.7512 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 :: 120.6857 Ave N Shift Values>> N :: 121.86(3.9) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.7383 CA :: 66.8629 CB :: 31.7979 CG1 :: 22.8511 CG2 :: 22.3340 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 :: 8.1518 HA :: 3.5882 HB :: 2.1473 HG11 :: 0.7323 HG12 :: 0.7323 HG13 :: 0.7323 HG21 :: 1.0548 HG22 :: 1.0548 HG23 :: 1.0548 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 :: 117.3069 Ave N Shift Values>> N :: 121.14(4.54) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 C 0.19 E 0.12 Y 0.09 M 0.07 F 0.06 D 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 175.9117 CA :: 54.0691 CB :: 37.1263 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 :: 8.2531 HA :: 4.7481 HB2 :: 2.9535 HB3 :: 2.9535 HD21 :: 6.7939 HD22 :: 7.3933 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 :: 115.7895 ND2 :: 109.9091 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.07 N 0.06 R 0.05 Y 0.04 C 0.04 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 173.1696 CA :: 54.0467 CB :: 41.7974 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 :: 8.1004 HA :: 4.9371 HB2 :: 3.2563 HB3 :: 2.7367 HD21 :: 7.2665 HD22 :: 7.8782 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 :: 119.1252 ND2 :: 117.2260 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.24 M 0.2 C Shift Assignments>> C :: 173.6618 CA :: 55.6809 CB :: 37.5499 CG :: 33.2142 CE :: 17.5551 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 :: 7.6003 HA :: 4.6449 HB2 :: 1.8974 HB3 :: 1.3421 HG2 :: 1.7674 HG3 :: 1.7674 HE1 :: 0.9066 HE2 :: 0.9066 HE3 :: 0.9066 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 :: 120.3535 Ave N Shift Values>> N :: 120.09(3.57) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.34 K 0.1 G 0.06 C Shift Assignments>> C :: 175.0586 CA :: 54.0295 CB :: 32.7757 CG :: 26.9729 CD :: 43.0541 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 :: 8.2254 HA :: 4.5878 HB2 :: 1.6610 HB3 :: 1.5821 HG2 :: 1.5350 HG3 :: 1.3536 HD2 :: 3.2458 HD3 :: 3.1210 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 :: 116.6296 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.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.21 G 0.13 F 0.09 C 0.08 Y 0.05 D 0.02 K 0.02 C Shift Assignments>> C :: 174.7759 CA :: 57.8452 CB :: 43.8306 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 :: 8.8479 HA :: 5.1389 HB2 :: 3.0314 HB3 :: 2.7429 HD1 :: 7.2982 HD2 :: 7.2982 HE1 :: 7.3509 HE2 :: 7.3509 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.2063 Ave N Shift Values>> N :: 120.45(4.18) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.34 R 0.18 G 0.01 C Shift Assignments>> C :: 174.8129 CA :: 55.4696 CB :: 34.5076 CG :: 25.2995 CD :: 29.0612 CE :: 42.3690 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 :: 8.5297 HA :: 4.8291 HB2 :: 1.7935 HB3 :: 1.7077 HG2 :: 1.4464 HG3 :: 1.2416 HD2 :: 1.7229 HD3 :: 1.6656 HE2 :: 2.9781 HE3 :: 2.9781 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 :: 122.8974 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.47 A 0.04 C Shift Assignments>> C :: 176.0241 CA :: 57.5159 CB :: 38.8466 CG1 :: 27.5307 CG2 :: 17.8839 CD1 :: 12.1446 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 :: 9.1253 HA :: 5.2622 HB :: 1.9215 HG12 :: 1.4137 HG13 :: 1.2339 HG21 :: 0.8256 HG22 :: 0.8256 HG23 :: 0.8256 HD11 :: 0.6879 HD12 :: 0.6879 HD13 :: 0.6879 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 :: 128.9538 Ave N Shift Values>> N :: 121.46(4.28) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.23 E 0.16 C Shift Assignments>> C :: 176.6991 CA :: 55.7777 CB :: 33.4229 CG :: 36.4626 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 :: 8.9341 HA :: 4.6509 HB2 :: 1.9333 HB3 :: 1.8341 HG2 :: 2.2217 HG3 :: 2.1890 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 :: 126.0796 Ave N Shift Values>> N :: 120.67(3.48) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.2 E 0.13 Y 0.12 F 0.08 M 0.06 D 0.04 I 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 174.7275 CA :: 54.6258 CB :: 37.2608 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 :: 9.7203 HA :: 4.5063 HB2 :: 3.0265 HB3 :: 2.7616 HD21 :: 6.9593 HD22 :: 7.6318 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 :: 127.3521 ND2 :: 113.3229 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.26 C 0.21 R 0.04 K 0.02 C Shift Assignments>> C :: 171.1999 CA :: 61.7853 CB :: 26.2620 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.7830 HA :: 3.5834 HB2 :: 3.1706 HB3 :: 3.3409 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 106.0361 Ave N Shift Values>> N :: 120.17(4.64) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.43 C Shift Assignments>> C :: 175.9227 CA :: 55.1570 CB :: 35.2532 CG :: 26.0947 CD :: 29.2481 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 :: 7.7312 HA :: 4.6955 HB2 :: 1.7699 HB3 :: 1.5639 HG2 :: 1.5252 HG3 :: 1.3209 HD2 :: 1.7960 HD3 :: 1.5175 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 :: 117.7621 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 177.0306 CA :: 63.8004 CB :: 32.4300 CG1 :: 22.5851 CG2 :: 23.1319 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 :: 9.2652 HA :: 4.2752 HB :: 2.3313 HG11 :: 0.9097 HG12 :: 0.9097 HG13 :: 0.9097 HG21 :: 1.3104 HG22 :: 1.3104 HG23 :: 1.3104 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 :: 121.0186 Ave N Shift Values>> N :: 121.14(4.54) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.8648 CA :: 62.5213 CB :: 33.1277 CG1 :: 20.4599 CG2 :: 21.7063 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 :: 9.2136 HA :: 4.4861 HB :: 2.1318 HG11 :: 0.8846 HG12 :: 0.8846 HG13 :: 0.8846 HG21 :: 0.9741 HG22 :: 0.9741 HG23 :: 0.9741 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 :: 124.1816 Ave N Shift Values>> N :: 121.14(4.54) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.11 R 0.07 N 0.07 F 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 172.6422 CA :: 52.8719 CB :: 42.1296 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 :: 8.0899 HA :: 4.9214 HB2 :: 2.8047 HB3 :: 2.7067 HD21 :: 6.8246 HD22 :: 7.5592 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 :: 116.0856 ND2 :: 112.5032 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.14 R 0.11 F 0.11 Y 0.07 C 0.05 N 0.01 HN Overlap>> 1.L122 1.L122 C Shift Assignments>> C :: 172.8138 CA :: 56.0618 CB :: 42.1088 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 :: 7.9493 HA :: 5.4294 HB2 :: 3.1324 HB3 :: 2.7028 HD1 :: 6.8957 HD2 :: 6.8957 HE1 :: 7.4021 HE2 :: 7.4021 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 :: 116.4612 Ave N Shift Values>> N :: 120.45(4.18) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.29 K 0.1 R 0.1 N 0.06 F 0.04 C 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.2637 CA :: 52.9036 CB :: 42.3046 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 :: 8.4156 HA :: 4.8746 HB2 :: 2.5539 HB3 :: 2.5314 HD21 :: 6.7798 HD22 :: 7.1766 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 :: 115.1752 ND2 :: 113.3540 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 173.4377 CA :: 59.5153 CB :: 39.7657 CG1 :: 29.3716 CG2 :: 17.4416 CD1 :: 14.1347 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 :: 8.5152 HA :: 4.2448 HB :: 1.3314 HG12 :: 0.9657 HG13 :: 0.6991 HG21 :: 0.6496 HG22 :: 0.6496 HG23 :: 0.6496 HD11 :: 0.2170 HD12 :: 0.2170 HD13 :: 0.2170 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 :: 122.3535 Ave N Shift Values>> N :: 121.46(4.28) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 M 0.15 Q 0.03 I 0.02 K 0.01 C Shift Assignments>> C :: 175.2780 CA :: 57.2667 CB :: 31.0619 CG :: 36.4223 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 :: 8.7829 HA :: 4.3607 HB2 :: 1.8545 HB3 :: 1.6668 HG2 :: 2.0749 HG3 :: 2.0199 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 :: 127.7637 Ave N Shift Values>> N :: 120.67(3.48) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.2 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 175.4039 CA :: 51.9367 CB :: 39.2104 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 :: 7.0975 HA :: 4.9717 HB2 :: 3.1393 HB3 :: 2.8336 HD21 :: 6.9425 HD22 :: 7.5946 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 :: 115.9860 ND2 :: 112.7078 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 177.0518 CA :: 63.0049 CB :: 68.7979 CG2 :: 22.1368 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 :: 8.4685 HA :: 3.7643 HB :: 4.4009 HG21 :: 1.0958 HG22 :: 1.0958 HG23 :: 1.0958 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 :: 113.4990 Ave N Shift Values>> N :: 115.42(4.75) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.22 F 0.16 E 0.14 N 0.08 I 0.05 M 0.04 D 0.03 L 0.01 C Shift Assignments>> C :: 178.0452 CA :: 56.5772 CB :: 37.6567 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 :: 8.5535 HA :: 4.2818 HB2 :: 2.8763 HB3 :: 2.7205 HD21 :: 6.9653 HD22 :: 7.6891 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.7725 ND2 :: 113.3138 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 C 0.25 R 0.2 L 0.07 Q 0.07 E 0.04 K 0.04 P 0.01 C Shift Assignments>> C :: 174.9457 CA :: 59.5014 CB :: 26.8860 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9449 HA :: 4.3819 HB2 :: 2.7373 HB3 :: 2.9485 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.1219 Ave N Shift Values>> N :: 120.17(4.64) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.4 A 0.09 C Shift Assignments>> C :: 176.2052 CA :: 55.1781 CB :: 39.7935 CG :: 26.5583 CD1 :: 22.5277 CD2 :: 25.4293 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 :: 7.3707 HA :: 3.9376 HB2 :: 1.8961 HB3 :: 1.4855 HG :: 1.3421 HD11 :: 0.4159 HD12 :: 0.4159 HD13 :: 0.4159 HD21 :: 0.6344 HD22 :: 0.6344 HD23 :: 0.6344 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 :: 118.9079 Ave N Shift Values>> N :: 121.86(3.9) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.13 Y 0.12 D 0.12 F 0.11 L 0.03 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 175.0013 CA :: 54.3731 CB :: 38.3097 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 :: 7.5539 HA :: 4.4475 HB2 :: 2.8380 HB3 :: 2.8380 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 :: 115.9343 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.15 C 0.09 L 0.03 F 0.02 Y 0.02 HN Overlap>> 1.L138 1.L138 C Shift Assignments>> CA :: 50.0657 CB :: 39.1334 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 :: 7.2702 HA :: 5.0864 HB2 :: 3.1129 HB3 :: 2.8475 HD21 :: 7.3224 HD22 :: 7.7366 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 :: 119.1240 ND2 :: 113.2499 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 179.0719 CA :: 65.1072 CB :: 32.3312 CG :: 27.3888 CD :: 51.3369 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 :: 4.4907 HB2 :: 2.4580 HB3 :: 2.0724 HG2 :: 2.1487 HG3 :: 2.0991 HD2 :: 4.1743 HD3 :: 3.9535 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.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.5560 CA :: 61.1122 CB :: 62.6610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0245 HA :: 4.3116 HB2 :: 3.9348 HB3 :: 3.8960 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 :: 113.6617 Ave N Shift Values>> N :: 116.28(3.52) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 177.5833 CA :: 64.6464 CB :: 36.9402 CG1 :: 29.7638 CG2 :: 19.6766 CD1 :: 12.9939 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 :: 7.3833 HA :: 3.5842 HB :: 2.1586 HG12 :: 1.5546 HG13 :: 1.0033 HG21 :: 0.7669 HG22 :: 0.7669 HG23 :: 0.7669 HD11 :: 0.8936 HD12 :: 0.8936 HD13 :: 0.8936 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 :: 120.7975 Ave N Shift Values>> N :: 121.46(4.28) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.36 E 0.17 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.1664 CA :: 61.0026 CB :: 28.6371 CG :: 36.2741 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 :: 8.2940 HA :: 3.9357 HB2 :: 2.4013 HB3 :: 2.2435 HG2 :: 2.4655 HG3 :: 2.3484 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.8404 Ave N Shift Values>> N :: 120.67(3.48) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.1227 CA :: 66.8730 CB :: 69.0010 CG2 :: 21.6971 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 :: 7.8668 HA :: 3.8655 HB :: 4.2670 HG21 :: 1.2700 HG22 :: 1.2700 HG23 :: 1.2700 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 :: 113.6134 Ave N Shift Values>> N :: 115.42(4.75) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.1337 CA :: 65.4659 CB :: 37.6429 CG1 :: 27.3028 CG2 :: 18.2626 CD1 :: 14.2069 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 :: 7.2122 HA :: 3.2946 HB :: 1.6855 HG12 :: 1.7607 HG13 :: 0.0653 HG21 :: 0.4228 HG22 :: 0.4228 HG23 :: 0.4228 HD11 :: 0.5935 HD12 :: 0.5935 HD13 :: 0.5935 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 :: 121.5347 Ave N Shift Values>> N :: 121.46(4.28) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.18 Y 0.15 F 0.12 C Shift Assignments>> C :: 178.8004 CA :: 61.9029 CB :: 38.3575 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 :: 8.4087 HA :: 4.0354 HB2 :: 3.0376 HB3 :: 2.9707 HD1 :: 6.9485 HD2 :: 6.9485 HE1 :: 6.6740 HE2 :: 6.6740 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.0202 Ave N Shift Values>> N :: 120.52(4.2) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.43 G 0.07 K 0.04 C Shift Assignments>> C :: 177.2838 CA :: 58.7649 CB :: 30.0156 CG :: 27.6594 CD :: 43.4663 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 :: 8.4786 HA :: 3.9412 HB2 :: 2.0199 HB3 :: 1.9402 HG2 :: 1.9354 HG3 :: 1.8129 HD2 :: 3.2711 HD3 :: 3.2528 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 :: 118.1007 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.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.33 L 0.12 F 0.06 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.7280 CA :: 52.7790 CB :: 40.2374 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 :: 7.5250 HA :: 5.2457 HB2 :: 3.1919 HB3 :: 2.7336 HD21 :: 7.1665 HD22 :: 7.6840 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 :: 116.1293 ND2 :: 114.1100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.14 Y 0.11 F 0.11 C Shift Assignments>> C :: 177.0130 CA :: 62.8784 CB :: 39.2669 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 :: 7.8305 HA :: 3.9825 HB2 :: 3.3974 HB3 :: 2.5622 HD1 :: 6.1347 HD2 :: 6.1347 HE1 :: 6.6143 HE2 :: 6.6143 HZ :: 6.8066 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.9834 Ave N Shift Values>> N :: 120.45(4.18) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.22 F 0.17 E 0.14 I 0.06 N 0.06 M 0.03 D 0.02 L 0.01 C Shift Assignments>> C :: 177.7413 CA :: 56.8978 CB :: 37.7140 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 :: 9.0289 HA :: 4.4409 HB2 :: 2.9855 HB3 :: 2.9541 HD21 :: 7.1133 HD22 :: 7.8428 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 :: 114.8815 ND2 :: 113.4584 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.22 E 0.1 I 0.04 R 0.04 M 0.01 C Shift Assignments>> C :: 178.3264 CA :: 59.0696 CB :: 28.5106 CG :: 34.2739 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 :: 8.1495 HA :: 4.1664 HB2 :: 2.2438 HB3 :: 2.1831 HG2 :: 2.5171 HG3 :: 2.4082 HE21 :: 6.8511 HE22 :: 7.4882 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.1241 NE2 :: 111.3208 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.23 Y 0.15 F 0.11 E 0.03 V 0.01 C Shift Assignments>> C :: 175.7730 CA :: 61.4278 CB :: 37.5663 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 :: 6.9633 HA :: 3.8392 HB2 :: 2.8467 HB3 :: 2.5813 HD1 :: 6.2921 HD2 :: 6.2921 HE1 :: 6.7066 HE2 :: 6.7066 HZ :: 6.7503 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 :: 118.6048 Ave N Shift Values>> N :: 120.45(4.18) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 176.6690 CA :: 67.4216 CB :: 31.5953 CG1 :: 25.1482 CG2 :: 22.1881 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 :: 7.8323 HA :: 2.9728 HB :: 2.1487 HG11 :: 0.9918 HG12 :: 0.9918 HG13 :: 0.9918 HG21 :: 1.0421 HG22 :: 1.0421 HG23 :: 1.0421 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 :: 119.3215 Ave N Shift Values>> N :: 121.14(4.54) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.9220 CA :: 62.0733 CB :: 63.1166 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8788 HA :: 4.2281 HB2 :: 3.9856 HB3 :: 3.9074 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 :: 112.6561 Ave N Shift Values>> N :: 116.28(3.52) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 175.9671 CA :: 64.9681 CB :: 38.5766 CG1 :: 29.2082 CG2 :: 17.9867 CD1 :: 13.5024 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 :: 7.2992 HA :: 3.5478 HB :: 1.6598 HG12 :: 1.7330 HG13 :: 1.0162 HG21 :: 0.8718 HG22 :: 0.8718 HG23 :: 0.8718 HD11 :: 0.7535 HD12 :: 0.7535 HD13 :: 0.7535 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 :: 120.2383 Ave N Shift Values>> N :: 121.46(4.28) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 F 0.17 Y 0.17 C 0.15 C Shift Assignments>> C :: 179.1570 CA :: 61.9816 CB :: 39.5960 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 :: 8.8569 HA :: 3.8247 HB2 :: 2.5612 HB3 :: 1.8805 HD1 :: 7.0651 HD2 :: 7.0651 HE1 :: 7.3356 HE2 :: 7.3356 HZ :: 7.2603 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.0872 Ave N Shift Values>> N :: 120.45(4.18) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.15 Y 0.14 F 0.1 M 0.07 I 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 177.8506 CA :: 55.5830 CB :: 37.0990 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 :: 8.7719 HA :: 4.4184 HB2 :: 3.0636 HB3 :: 2.8057 HD21 :: 7.4610 HD22 :: 7.6668 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 :: 120.5192 ND2 :: 108.3363 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.6061 CA :: 66.6037 CB :: 31.6248 CG1 :: 21.8826 CG2 :: 23.6782 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 :: 7.4798 HA :: 3.8333 HB :: 2.1591 HG11 :: 0.7298 HG12 :: 0.7298 HG13 :: 0.7298 HG21 :: 1.0279 HG22 :: 1.0279 HG23 :: 1.0279 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 :: 121.4185 Ave N Shift Values>> N :: 121.14(4.54) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 177.7666 CA :: 67.5041 CB :: 31.0071 CG1 :: 22.8054 CG2 :: 24.9445 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 :: 9.0243 HA :: 3.1651 HB :: 1.8650 HG11 :: 0.8064 HG12 :: 0.8064 HG13 :: 0.8064 HG21 :: 0.8765 HG22 :: 0.8765 HG23 :: 0.8765 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 :: 120.7644 Ave N Shift Values>> N :: 121.14(4.54) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.9683 CA :: 67.9230 CB :: 68.4400 CG2 :: 20.7557 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 :: 8.1327 HA :: 3.5614 HB :: 4.1752 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 :: 116.7505 Ave N Shift Values>> N :: 115.42(4.75) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.13 K 0.12 C 0.1 D 0.09 I 0.05 N 0.01 C Shift Assignments>> C :: 178.9044 CA :: 57.6801 CB :: 40.8829 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 :: 7.4774 HA :: 4.4184 HB2 :: 2.8790 HB3 :: 2.5893 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 :: 122.4917 Ave N Shift Values>> N :: 120.65(3.86) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 177.6917 CA :: 66.8881 CB :: 31.5502 CG1 :: 22.2131 CG2 :: 23.9428 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 :: 8.6817 HA :: 3.2659 HB :: 2.1414 HG11 :: 0.7549 HG12 :: 0.7549 HG13 :: 0.7549 HG21 :: 0.9010 HG22 :: 0.9010 HG23 :: 0.9010 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 :: 120.1855 Ave N Shift Values>> N :: 121.14(4.54) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 C 0.29 P 0.14 K 0.06 R 0.05 E 0.04 M 0.03 I 0.01 Q 0.01 HN Overlap>> 1.N136 1.N136 C Shift Assignments>> C :: 178.7615 CA :: 61.1356 CB :: 31.9852 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 :: 8.6332 HA :: 3.8858 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 :: 118.5263 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.37 R 0.09 V 0.02 Q 0.02 C Shift Assignments>> C :: 178.7144 CA :: 59.1452 CB :: 32.2918 CG :: 25.1374 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 :: 7.8615 HA :: 4.0468 HB2 :: 1.9537 HB3 :: 1.9537 HG2 :: 1.5790 HG3 :: 1.4549 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 :: 118.6092 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.43 K 0.06 G 0.04 C Shift Assignments>> C :: 178.5648 CA :: 57.9130 CB :: 30.6010 CG :: 27.1784 CD :: 43.1694 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 :: 7.7318 HA :: 4.0298 HB2 :: 1.8096 HB3 :: 1.7833 HG2 :: 1.7480 HG3 :: 1.6381 HD2 :: 3.0227 HD3 :: 3.0227 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 :: 117.1162 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.L122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 C 0.32 R 0.19 G 0.03 A 0.01 HN Overlap>> 1.T68 1.F85 1.T68 1.F85 C Shift Assignments>> C :: 177.7865 CA :: 56.2640 CB :: 42.8289 CG :: 26.3839 CD1 :: 27.1146 CD2 :: 23.3106 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 :: 7.8801 HA :: 3.9510 HB2 :: 0.8730 HB3 :: 0.1089(S) HG :: 1.5361 HD11 :: 0.5704 HD12 :: 0.5704 HD13 :: 0.5704 HD21 :: 0.6491 HD22 :: 0.6491 HD23 :: 0.6491 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 :: 116.4913 Ave N Shift Values>> N :: 121.86(3.9) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.2 Y 0.18 L 0.15 C 0.09 N 0.07 K 0.03 I 0.02 C Shift Assignments>> C :: 175.6950 CA :: 56.0434 CB :: 40.2370 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 :: 7.8663 HA :: 5.0808 HB2 :: 3.4113 HB3 :: 2.9525 HD1 :: 7.3898 HD2 :: 7.3898 HE1 :: 7.1288 HE2 :: 7.1288 HZ :: 7.2802 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 :: 116.1671 Ave N Shift Values>> N :: 120.45(4.18) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.34 K 0.09 I 0.09 Q 0.05 M 0.02 C Shift Assignments>> C :: 176.5321 CA :: 57.9616 CB :: 29.4078 CG :: 36.2114 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 :: 8.3118 HA :: 4.2259 HB2 :: 2.1263 HB3 :: 2.1263 HG2 :: 2.2797 HG3 :: 2.2797 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 :: 120.5567 Ave N Shift Values>> N :: 120.67(3.48) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.09 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 174.9561 CA :: 53.4043 CB :: 39.0052 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 :: 8.4219 HA :: 4.7313 HB2 :: 2.8957 HB3 :: 2.8011 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.8315 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 L 0.01 C Shift Assignments>> C :: 177.6279 CA :: 52.7777 CB :: 19.4761 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3296 HA :: 4.3990 HB1 :: 1.4513 HB2 :: 1.4513 HB3 :: 1.4513 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3010 Ave N Shift Values>> N :: 123.23(3.54) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0737 CA :: 58.7640 CB :: 64.0498 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2695 HA :: 4.4408 HB2 :: 3.9161 HB3 :: 3.8868 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.7543 Ave N Shift Values>> N :: 116.28(3.52) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.9622 CA :: 45.4680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3692 HA2 :: 3.9672 HA3 :: 3.9672 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4994 Ave N Shift Values>> N :: 109.67(3.87) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.22 C 0.08 F 0.08 Y 0.07 L 0.06 HN Overlap>> 1.E140 1.E140 C Shift Assignments>> C :: 175.9444 CA :: 53.3427 CB :: 39.1894 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 :: 8.3516 HA :: 4.7469 HB2 :: 2.8436 HB3 :: 2.7952 HD21 :: 6.9360 HD22 :: 7.6024 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 :: 118.7647 ND2 :: 113.2843 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.3979 CA :: 45.4965 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5213 HA2 :: 4.0023 HA3 :: 4.0023 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.7938 Ave N Shift Values>> N :: 109.67(3.87) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2842 CA :: 58.5897 CB :: 64.0603 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3646 HA :: 4.5065 HB2 :: 3.9146 HB3 :: 3.8825 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 :: 115.9329 Ave N Shift Values>> N :: 116.28(3.52) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.7168 CA :: 45.4766 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6147 HA2 :: 4.0405 HA3 :: 3.9935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3335 Ave N Shift Values>> N :: 109.67(3.87) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.4828 CA :: 45.3538 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3553 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9910 Ave N Shift Values>> N :: 109.67(3.87) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.1825 CA :: 45.1574 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3101 HA2 :: 3.9689 HA3 :: 3.8794 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7345 Ave N Shift Values>> N :: 109.67(3.87) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1049 CA :: 58.1912 CB :: 63.8209 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5219 HA :: 4.5033 HB2 :: 3.8727 HB3 :: 3.8183 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 :: 115.8505 Ave N Shift Values>> N :: 116.28(3.52) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.22 L 0.18 F 0.05 C 0.05 K 0.05 Y 0.04 HN Overlap>> 1.K119 1.K119 C Shift Assignments>> CA :: 52.5444 CB :: 41.0136 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 :: 8.6438 HA :: 5.0211 HB2 :: 2.6852 HB3 :: 2.4748 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 :: 118.5857 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.7981 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) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.49 HN Overlap>> 1.N95 1.N95 C Shift Assignments>> C :: 177.4374 CA :: 58.1298 CB :: 40.9927 CG :: 27.1204 CD1 :: 23.1024 CD2 :: 24.9007 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 :: 7.3258 HA :: 3.6495 HB2 :: 1.6419 HB3 :: 1.6419 HG :: 1.0050 HD11 :: 0.1418 HD12 :: 0.1418 HD13 :: 0.1418 HD21 :: 0.3138 HD22 :: 0.3138 HD23 :: 0.3138 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 :: 119.0616 Ave N Shift Values>> N :: 121.86(3.9) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.31 E 0.08 C Shift Assignments>> C :: 178.9634 CA :: 59.9477 CB :: 30.2383 CG :: 38.5562 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 :: 7.9400 HA :: 3.8630 HB2 :: 2.0245 HB3 :: 1.7447 HG2 :: 2.2146 HG3 :: 2.1853 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 :: 117.8806 Ave N Shift Values>> N :: 120.67(3.48) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.12 K 0.06 Q 0.04 M 0.03 HN Overlap>> 1.N129 1.N129 C Shift Assignments>> C :: 178.5340 CA :: 59.4924 CB :: 29.8876 CG :: 36.1146 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 :: 8.3120 HA :: 4.0744 HB2 :: 2.0475 HB3 :: 2.0475 HG2 :: 2.3203 HG3 :: 2.2129 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 :: 118.6945 Ave N Shift Values>> N :: 120.67(3.48) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.18 K 0.08 Q 0.03 C Shift Assignments>> C :: 179.6649 CA :: 59.0814 CB :: 28.8649 CG :: 36.2823 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 :: 7.9409 HA :: 4.2993 HB2 :: 2.3110 HB3 :: 2.1065 HG2 :: 2.6125 HG3 :: 2.4831 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 :: 119.8331 Ave N Shift Values>> N :: 120.67(3.48) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.Y5 1.Y5 C Shift Assignments>> C :: 178.0647 CA :: 65.4531 CB :: 38.0698 CG1 :: 30.2099 CG2 :: 17.2668 CD1 :: 14.2390 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 :: 8.0683 HA :: 3.6690 HB :: 1.9901 HG12 :: 1.7606 HG13 :: 0.9810 HG21 :: 0.9944 HG22 :: 0.9944 HG23 :: 0.9944 HD11 :: 0.9741 HD12 :: 0.9741 HD13 :: 0.9741 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 :: 120.5192 Ave N Shift Values>> N :: 121.46(4.28) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.19 F 0.17 N 0.14 E 0.09 D 0.06 I 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 178.0974 CA :: 56.0320 CB :: 37.9764 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 :: 8.3505 HA :: 4.5084 HB2 :: 2.9155 HB3 :: 2.8405 HD21 :: 6.9518 HD22 :: 7.5440 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 :: 118.9183 ND2 :: 112.1337 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 Y 0.19 C 0.16 F 0.16 D 0.1 E 0.05 L 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 177.3001 CA :: 55.4175 CB :: 38.2674 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 :: 8.4921 HA :: 4.5706 HB2 :: 3.0071 HB3 :: 2.9081 HD21 :: 7.0151 HD22 :: 7.6687 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 :: 119.6270 ND2 :: 112.1378 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.24 E 0.1 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.3307 CA :: 58.1272 CB :: 28.5154 CG :: 34.2668 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 :: 8.0049 HA :: 4.1861 HB2 :: 2.2836 HB3 :: 2.1618 HG2 :: 2.5574 HG3 :: 2.5080 HE21 :: 6.8647 HE22 :: 7.7653 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.9563 NE2 :: 113.1547 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.05 G 0.01 C Shift Assignments>> C :: 178.7036 CA :: 57.0531 CB :: 42.1535 CG :: 26.8172 CD1 :: 23.5693 CD2 :: 25.3810 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 :: 8.0993 HA :: 4.1606 HB2 :: 1.8645 HB3 :: 1.5690 HG :: 1.7837 HD11 :: 0.8709 HD12 :: 0.8709 HD13 :: 0.8709 HD21 :: 0.9278 HD22 :: 0.9278 HD23 :: 0.9278 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 :: 120.9574 Ave N Shift Values>> N :: 121.86(3.9) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> C :: 178.7142 CA :: 53.6300 CB :: 18.5931 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8593 HA :: 4.2377 HB1 :: 1.4915 HB2 :: 1.4915 HB3 :: 1.4915 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4525 Ave N Shift Values>> N :: 123.23(3.54) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 177.9407 CA :: 55.7501 CB :: 42.3826 CG :: 26.8332 CD1 :: 23.2202 CD2 :: 25.1927 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 :: 7.6893 HA :: 4.2930 HB2 :: 1.7995 HB3 :: 1.6404 HG :: 1.7826 HD11 :: 0.8985 HD12 :: 0.8985 HD13 :: 0.8985 HD21 :: 0.9472 HD22 :: 0.9472 HD23 :: 0.9472 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 :: 118.6665 Ave N Shift Values>> N :: 121.86(3.9) 1.Q149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.08 M 0.04 R 0.03 C Shift Assignments>> C :: 175.9165 CA :: 56.0803 CB :: 29.1950 CG :: 33.9464 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9467 HA :: 4.3274 HB2 :: 2.1939 HB3 :: 2.0861 HG2 :: 2.4801 HG3 :: 2.4475 HE21 :: 6.8800 HE22 :: 7.5498 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 :: 119.3920 NE2 :: 112.3943 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.41 R 0.04 Q 0.04 V 0.01 C Shift Assignments>> C :: 175.8116 CA :: 56.3889 CB :: 33.1401 CG :: 24.6721 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 :: 8.1315 HA :: 4.4166 HB2 :: 1.9351 HB3 :: 1.8124 HG2 :: 1.5146 HG3 :: 1.4746 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 :: 122.5239 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S151 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>> CA :: 60.0867 CB :: 64.9627 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9889 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 :: 122.9995 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 148 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 149 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 583 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1005 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 169 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K47 HG3 = 0.2501(S), Expected = 1.35, Std = 0.2800, ChiSquare = 8.5579e-05 1.F66 HZ = 4.8687(S), Expected = 7.00, Std = 0.4200, ChiSquare = 3.8847e-07 1.L122 HB3 = 0.1089(S), Expected = 1.52, Std = 0.3600, ChiSquare = 8.8651e-05