Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 R 0.14 C 0.13 H 0.13 K 0.13 W 0.09 E 0.08 Q 0.06 HN Overlap>> 1.A139 1.A139 C Shift Assignments>> CA :: 55.708 CB :: 31.704 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 :: 7.9947 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 :: 121.3122 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> CA :: 52.251 CB :: 18.6867 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.125 HA :: 4.587 HB1 :: 1.2977 HB2 :: 1.2977 HB3 :: 1.2977 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3694 Ave N Shift Values>> N :: 123.23(3.54) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.655 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.113 HA2 :: 3.797 HA3 :: 4.181 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6743 Ave N Shift Values>> N :: 109.67(3.87) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.99 CA :: 62.027 CB :: 32.083 CG1 :: 21.3226 CG2 :: 20.7328 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 :: 7.7565 HA :: 3.949 HB :: 1.915 HG11 :: 0.7666 HG12 :: 0.7666 HG13 :: 0.7666 HG21 :: 0.7698 HG22 :: 0.7698 HG23 :: 0.7698 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 :: 119.0842 Ave N Shift Values>> N :: 121.14(4.54) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.38 K 0.12 G 0.04 C Shift Assignments>> C :: 176.338 CA :: 56.006 CB :: 32.23 CG :: 26.8867 CD :: 43.05 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.4421 HA :: 4.487 HB3 :: 1.564 HD2 :: 3.108 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 :: 123.8446 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.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.172 CA :: 55.689 CB :: 66.237 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0919 HA :: 5.357 HB3 :: 3.764 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 :: 114.4413 Ave N Shift Values>> N :: 116.28(3.52) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.26 A 0.01 C Shift Assignments>> C :: 173.62 CA :: 58.483 CB :: 35.231 CG1 :: 20.4426 CG2 :: 21.0342 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 :: 8.5458 HA :: 4.733 HB :: 1.314 HG11 :: 0.2268 HG12 :: 0.2268 HG13 :: 0.2268 HG21 :: 0.1048 HG22 :: 0.1048 HG23 :: 0.1048 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 :: 117.3385 Ave N Shift Values>> N :: 121.14(4.54) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.17 L 0.15 C 0.1 K 0.05 N 0.04 I 0.03 C Shift Assignments>> CA :: 56.584 CB :: 40.453 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 :: 8.6086 HA :: 5.22 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 :: 127.8627 Ave N Shift Values>> N :: 120.45(4.18) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.37 L 0.26 C 0.25 A 0.07 K 0.02 C Shift Assignments>> C :: 172.57 CA :: 52.425 CB :: 43.676 CD1 :: 23.5932 CD2 :: 27.22 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>> HA :: 5.086 HB2 :: 0.7 HB3 :: 1.512 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.6312 HD22 :: 0.6312 HD23 :: 0.6312 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) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.24 P 0.14 A 0.13 K 0.05 G 0.02 C Shift Assignments>> C :: 175.944 CA :: 49.66 CB :: 23.8306 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1214 HA :: 4.739 HB1 :: 1.4488 HB2 :: 1.4488 HB3 :: 1.4488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.2943 Ave N Shift Values>> N :: 123.23(3.54) 1.G11 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>> CA :: 45.838 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2524 HA2 :: 3.81 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2899 Ave N Shift Values>> N :: 109.67(3.87) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.72 A 0.12 N 0.06 D 0.02 C 0.01 L 0.01 C Shift Assignments>> CD :: 50.3684 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.779 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>> HA :: 4.48 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) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.5 C 0.3 A 0.19 C Shift Assignments>> C :: 176.335 CA :: 54.705 CB :: 32.1039 CG :: 32.8 CE :: 16.78 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>> HA :: 4.34 HB2 :: 1.88 HB3 :: 1.85 HG2 :: 2.14 HE1 :: 1.88 HE2 :: 1.88 HE3 :: 1.88 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) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.56 CA :: 45.009 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5804 HA2 :: 3.78 HA3 :: 3.69 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9899 Ave N Shift Values>> N :: 109.67(3.87) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 176.984 CA :: 55.029 CB :: 42.54 CG :: 27.24 CD1 :: 25.3161 CD2 :: 23.7 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 :: 7.8762 HA :: 4.251 HB2 :: 1.459 HB3 :: 1.541 HG :: 1.47 HD11 :: 0.7936 HD12 :: 0.7936 HD13 :: 0.7936 HD21 :: 0.7548 HD22 :: 0.7548 HD23 :: 0.7548 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 :: 120.95 Ave N Shift Values>> N :: 121.86(3.9) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.T66 1.T66 C Shift Assignments>> C :: 175.211 CA :: 61.951 CB :: 32.027 CG1 :: 21.45 CG2 :: 22.1 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 :: 7.8204 HA :: 3.973 HB :: 1.911 HG11 :: 0.75 HG12 :: 0.75 HG13 :: 0.75 HG21 :: 0.749 HG22 :: 0.749 HG23 :: 0.749 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 :: 119.5989 Ave N Shift Values>> N :: 121.14(4.54) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.11 C 0.09 F 0.02 Y 0.02 L 0.02 C Shift Assignments>> C :: 173.596 CA :: 50.748 CB :: 38.551 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 :: 8.2641 HA :: 4.872 HB2 :: 2.595 HB3 :: 2.831 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 :: 122.5079 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.185 CA :: 63.58 CB :: 31.029 CG :: 27.2937 CD :: 50.8547 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 :: 4.318 HB2 :: 2.17 HG2 :: 1.909 HD2 :: 3.68 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.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 I 0.09 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.076 CA :: 56.942 CB :: 28.992 CG :: 36.63 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 :: 7.9505 HA :: 4.154 HB2 :: 1.893 HB3 :: 1.978 HG2 :: 2.144 HG3 :: 2.198 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 :: 119.6879 Ave N Shift Values>> N :: 120.67(3.48) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.594 CA :: 61.652 CB :: 69.263 CG2 :: 21.1693 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 :: 7.7117 HA :: 4.216 HG21 :: 1.0854 HG22 :: 1.0854 HG23 :: 1.0854 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.6311 Ave N Shift Values>> N :: 115.42(4.75) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.12 D 0.11 Y 0.08 F 0.07 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.705 CA :: 53.458 CB :: 38.213 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 :: 8.2339 HA :: 4.567 HB2 :: 2.707 HB3 :: 2.805 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 :: 120.251 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.991 CA :: 58.299 CB :: 63.638 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9388 HA :: 4.371 HB2 :: 3.749 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 :: 115.128 Ave N Shift Values>> N :: 116.28(3.52) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.39 C 0.17 C Shift Assignments>> C :: 174.138 CA :: 53.189 CB :: 32.004 CG :: 32.1 CE :: 17.4471 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.11 HA :: 4.713 HB2 :: 1.888 HB3 :: 1.972 HG2 :: 2.483 HG3 :: 2.534 HE1 :: 2.0121 HE2 :: 2.0121 HE3 :: 2.0121 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 :: 123.05 Ave N Shift Values>> N :: 120.09(3.57) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.689 CA :: 62.676 CB :: 31.262 CG :: 27.5736 CD :: 50.792 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 :: 4.394 HB2 :: 1.778 HB3 :: 2.177 HG2 :: 1.896 HD2 :: 3.548 HD3 :: 3.747 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.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.482 CA :: 57.793 CB :: 63.722 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2564 HA :: 4.323 HB2 :: 3.823 HB3 :: 3.996 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 :: 116.8396 Ave N Shift Values>> N :: 116.28(3.52) 1.A27 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 :: 179.318 CA :: 54.236 CB :: 18.6694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5406 HA :: 4.066 HB1 :: 1.3816 HB2 :: 1.3816 HB3 :: 1.3816 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0431 Ave N Shift Values>> N :: 123.23(3.54) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.15 K 0.07 Q 0.02 C Shift Assignments>> C :: 177.311 CA :: 57.68 CB :: 28.711 CG :: 36.732 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 :: 8.3184 HA :: 4.114 HB2 :: 1.896 HB3 :: 1.982 HG2 :: 2.229 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.9744 Ave N Shift Values>> N :: 120.67(3.48) 1.Q29 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 0.09 R 0.04 M 0.03 C Shift Assignments>> C :: 176.848 CA :: 56.244 CB :: 28.809 CG :: 34.08 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 :: 7.734 HA :: 4.268 HB2 :: 1.896 HB3 :: 1.997 HG2 :: 2.22 HG3 :: 2.27 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 :: 117.568 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.4 C Shift Assignments>> CA :: 56.93 CB :: 40.31 CG :: 27.07 CD1 :: 25.0915 CD2 :: 23.9134 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 :: 7.6795 HA :: 4.221 HB2 :: 1.509 HB3 :: 1.681 HG :: 1.564 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.8246 HD22 :: 0.8246 HD23 :: 0.8246 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 :: 120.9162 Ave N Shift Values>> N :: 121.86(3.9) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.649 CA :: 65.708 CB :: 30.66 CG :: 28.03 CD :: 50.49 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 :: 4.088 HB3 :: 2.037 HG3 :: 1.905 HD3 :: 3.601 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.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 Y 0.23 C 0.21 F 0.17 E 0.04 C Shift Assignments>> C :: 176.96 CA :: 60.085 CB :: 37.981 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 :: 7.2447 HA :: 3.82 HB3 :: 2.775 HD1 :: 6.875 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 :: 114.7183 Ave N Shift Values>> N :: 120.45(4.18) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.46 C Shift Assignments>> C :: 179.869 CA :: 57.565 CB :: 40.134 CG :: 27.07 CD1 :: 25.3518 CD2 :: 23.0221 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 :: 7.646 HA :: 3.806 HB2 :: 1.506 HB3 :: 1.664 HG :: 1.535 HD11 :: 0.8133 HD12 :: 0.8133 HD13 :: 0.8133 HD21 :: 0.7296 HD22 :: 0.7296 HD23 :: 0.7296 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 :: 118.6874 Ave N Shift Values>> N :: 121.86(3.9) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.03 C Shift Assignments>> C :: 176.619 CA :: 65.31 CB :: 67.984 CG2 :: 21.0561 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 :: 7.907 HA :: 3.914 HB :: 4.04 HG21 :: 0.9968 HG22 :: 0.9968 HG23 :: 0.9968 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.1349 Ave N Shift Values>> N :: 115.42(4.75) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 A 0.01 C Shift Assignments>> C :: 177.124 CA :: 56.779 CB :: 40.208 CG :: 26.72 CD1 :: 25.1284 CD2 :: 22.8011 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 :: 7.4213 HA :: 3.639 HB2 :: 1.153 HB3 :: 1.592 HG :: 1.4 HD11 :: 0.5189 HD12 :: 0.5189 HD13 :: 0.5189 HD21 :: 0.3294 HD22 :: 0.3294 HD23 :: 0.3294 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.2012 Ave N Shift Values>> N :: 121.86(3.9) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.358 CA :: 66.503 CB :: 37.474 CG1 :: 29.99 CG2 :: 17.1408 CD1 :: 13.9935 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 :: 7.64 HA :: 3.374 HB :: 1.716 HG12 :: 0.597 HG13 :: 1.537 HG21 :: 0.7124 HG22 :: 0.7124 HG23 :: 0.7124 HD11 :: 0.6486 HD12 :: 0.6486 HD13 :: 0.6486 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.2524 Ave N Shift Values>> N :: 121.46(4.28) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.2 K 0.06 Q 0.02 HN Overlap>> 1.Q144 1.Q144 C Shift Assignments>> C :: 178.032 CA :: 58.948 CB :: 28.828 CG :: 36.531 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 :: 7.3851 HA :: 3.992 HB2 :: 1.906 HB3 :: 1.985 HG2 :: 2.108 HG3 :: 2.276 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 :: 117.4969 Ave N Shift Values>> N :: 120.67(3.48) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.07 V 0.05 K 0.05 I 0.04 M 0.03 C Shift Assignments>> C :: 177.886 CA :: 59.423 CB :: 30.461 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.4652 HA :: 4.12 HB2 :: 2.775 HB3 :: 2.826 HD2 :: 5.8048 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.448 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 E 0.16 I 0.15 F 0.15 M 0.02 C Shift Assignments>> C :: 178.786 CA :: 58.637 CB :: 37.334 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 :: 7.8589 HA :: 4.259 HB2 :: 2.801 HB3 :: 2.848 HD1 :: 6.966 HE1 :: 7.085 HZ :: 6.89 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 :: 116.695 Ave N Shift Values>> N :: 120.45(4.18) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.38 E 0.1 HN Overlap>> 1.Y135 1.Y135 C Shift Assignments>> C :: 181.978 CA :: 59.738 CB :: 28.089 CG :: 37.9 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 :: 8.6768 HA :: 4.265 HB2 :: 1.867 HB3 :: 2.086 HG2 :: 2.189 HG3 :: 2.617 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 :: 120.7026 Ave N Shift Values>> N :: 120.67(3.48) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.42 C Shift Assignments>> C :: 178.19 CA :: 58.58 CB :: 30.858 CG :: 25.66 CD :: 28.99 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 :: 8.4116 HA :: 4.021 HB2 :: 1.802 HB3 :: 1.891 HG2 :: 1.429 HG3 :: 1.532 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 :: 121.4183 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 C 0.23 E 0.08 R 0.05 M 0.03 C Shift Assignments>> C :: 175.928 CA :: 55.48 CB :: 28.72 CG :: 34.08 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 :: 7.0699 HA :: 4.242 HG2 :: 2.14 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.0607 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.188 CA :: 44.733 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8401 HA2 :: 3.622 HA3 :: 4.073 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3984 Ave N Shift Values>> N :: 109.67(3.87) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.2 A 0.02 C Shift Assignments>> C :: 176.068 CA :: 53.51 CB :: 41.083 CG :: 27.09 CD1 :: 25.1284 CD2 :: 23.9683 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 :: 7.3111 HA :: 4.225 HB2 :: 0.758 HB3 :: 1.312 HG :: 1.339 HD11 :: 0.5139 HD12 :: 0.5139 HD13 :: 0.5139 HD21 :: 0.4515 HD22 :: 0.4515 HD23 :: 0.4515 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 :: 119.924 Ave N Shift Values>> N :: 121.86(3.9) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.3 M 0.09 K 0.08 Q 0.08 I 0.01 C Shift Assignments>> C :: 175.035 CA :: 55.235 CB :: 29.965 CG :: 36.15 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 :: 7.8252 HA :: 4.188 HB2 :: 1.609 HG2 :: 1.63 HG3 :: 1.89 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.4133 Ave N Shift Values>> N :: 120.67(3.48) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> CA :: 60.056 CB :: 31.327 CG1 :: 22.4708 CG2 :: 22.9586 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 :: 8.617 HA :: 4.587 HB :: 1.875 HG11 :: 0.7052 HG12 :: 0.7052 HG13 :: 0.7052 HG21 :: 0.8347 HG22 :: 0.8347 HG23 :: 0.8347 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.0426 Ave N Shift Values>> N :: 121.14(4.54) 1.F47 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Anomalous N Shifts: Indeterminable H Shift Assignments>> HD1 :: 7.12 HZ :: 0(A) 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) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.26 L 0.22 K 0.14 F 0.11 Y 0.09 N 0.06 C 0.06 R 0.01 C Shift Assignments>> CA :: 55.085 CB :: 41.235 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.75 M 0.17 C 0.03 L 0.01 C Shift Assignments>> CA :: 54.068 CB :: 19.51 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.93 HB1 :: 1.148 HB2 :: 1.148 HB3 :: 1.148 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.14 R 0.14 H 0.13 Q 0.1 M 0.06 K 0.06 V 0.01 I 0.01 C Shift Assignments>> CA :: 57.7 CB :: 30.559 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0596 HE1 :: 7.71 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.8919 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.44 C 0.41 K 0.07 G 0.05 C Shift Assignments>> CA :: 57.67 CB :: 30.22 CG :: 27.72 CD :: 43.32 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>> HA :: 4.01 HD2 :: 3.03 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) 1.R52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.38 E 0.38 I 0.14 K 0.06 Q 0.01 C Shift Assignments>> C :: 177.001 CA :: 57.247 CB :: 28.808 CG :: 37.03 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.02 HB2 :: 1.98 HB3 :: 1.901 HG2 :: 2.2 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 178.038 CA :: 52.872 CB :: 18.8409 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9197 HA :: 4.079 HB1 :: 1.2446 HB2 :: 1.2446 HB3 :: 1.2446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.56 Ave N Shift Values>> N :: 123.23(3.54) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 C 0.13 W 0.13 E 0.12 H 0.11 R 0.08 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 177.049 CA :: 57.263 CB :: 28.568 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.968 HA :: 4.421 HB2 :: 3.189 HB3 :: 3.287 HD1 :: 7.09 HE1 :: 10.0849 HZ2 :: 7.32 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.29 NE1 :: 129.4381 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.091 CA :: 45.298 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8574 HA2 :: 3.746 HA3 :: 3.984 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0638 Ave N Shift Values>> N :: 109.67(3.87) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> C :: 177.484 CA :: 52.22 CB :: 19.38 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8 HA :: 4.264 HB1 :: 1.35 HB2 :: 1.35 HB3 :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.594 Ave N Shift Values>> N :: 123.23(3.54) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 E 0.07 R 0.04 M 0.03 C Shift Assignments>> C :: 175.301 CA :: 55.694 CB :: 28.889 CG :: 33.95 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 :: 8.0116 HA :: 4.268 HB2 :: 1.89 HB3 :: 2.004 HG2 :: 2.239 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 :: 118.565 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.965 CA :: 62.038 CB :: 31.567 CG1 :: 21.4128 CG2 :: 20.7506 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 :: 7.9287 HA :: 4.031 HB :: 1.991 HG11 :: 0.8801 HG12 :: 0.8801 HG13 :: 0.8801 HG21 :: 0.8905 HG22 :: 0.8905 HG23 :: 0.8905 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 :: 120.7417 Ave N Shift Values>> N :: 121.14(4.54) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.22 R 0.09 A 0.03 G 0.02 C Shift Assignments>> C :: 177.095 CA :: 54.399 CB :: 42.465 CG :: 27.33 CD1 :: 25.6127 CD2 :: 23.3686 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 :: 8.1158 HA :: 4.52 HB2 :: 1.452 HB3 :: 1.596 HG :: 1.545 HD11 :: 0.7139 HD12 :: 0.7139 HD13 :: 0.7139 HD21 :: 0.6733 HD22 :: 0.6733 HD23 :: 0.6733 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.1631 Ave N Shift Values>> N :: 121.86(3.9) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.26 S 0.01 C Shift Assignments>> C :: 176.37 CA :: 59.37 CB :: 68.388 CG2 :: 22.0172 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 :: 8.0928 HA :: 4.612 HB :: 4.475 HG21 :: 1.2352 HG22 :: 1.2352 HG23 :: 1.2352 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.7952 Ave N Shift Values>> N :: 115.42(4.75) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 179.299 CA :: 65.963 CB :: 30.53 CD :: 50.36 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 :: 4.009 HD2 :: 3.27 HD3 :: 3.64 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>> I 0.43 C 0.37 E 0.15 K 0.01 C Shift Assignments>> C :: 177.319 CA :: 59.574 CB :: 27.974 CG :: 37.39 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.2326 HA :: 4.012 HB2 :: 1.884 HB3 :: 1.957 HG2 :: 2.155 HG3 :: 2.396 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.8613 Ave N Shift Values>> N :: 120.67(3.48) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.4 M 0.08 I 0.04 K 0.01 C Shift Assignments>> C :: 178.694 CA :: 57.238 CB :: 30.611 CG :: 37.11 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.483 HA :: 4.185 HB2 :: 1.56 HB3 :: 1.68 HG2 :: 2.14 HG3 :: 2.21 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.5048 Ave N Shift Values>> N :: 120.67(3.48) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.17 F 0.15 R 0.14 Y 0.11 C 0.07 D 0.06 I 0.01 C Shift Assignments>> C :: 175.629 CA :: 57.684 CB :: 42.229 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3497 HA :: 4.41 HB2 :: 3.07 HB3 :: 3.31 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 :: 115.2281 Ave N Shift Values>> N :: 120.17(4.64) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 T 0.11 HN Overlap>> 1.V17 1.V17 C Shift Assignments>> CA :: 69.907 CB :: 65.905 CG2 :: 22.1837 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 :: 7.862 HA :: 4.119 HB :: 4.268 HG21 :: 1.322 HG22 :: 1.322 HG23 :: 1.322 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 :: 119.4955 Ave N Shift Values>> N :: 115.42(4.75) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 179.763 CA :: 65.49 CB :: 29.896 CG :: 28.18 CD :: 50.6 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.86 HB2 :: 1.684 HB3 :: 2.061 HG2 :: 1.869 HG3 :: 1.95 HD2 :: 3.43 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.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.38 C Shift Assignments>> C :: 177.778 CA :: 56.991 CB :: 40.748 CG :: 26.9 CD1 :: 24.5158 CD2 :: 23.71 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 :: 6.2641 HA :: 3.968 HB2 :: 1.562 HB3 :: 1.584 HG :: 1.577 HD11 :: 0.7506 HD12 :: 0.7506 HD13 :: 0.7506 HD21 :: 0.7354 HD22 :: 0.7354 HD23 :: 0.7354 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 :: 117.6125 Ave N Shift Values>> N :: 121.86(3.9) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 D 0.11 K 0.06 I 0.05 N 0.01 HN Overlap>> 1.I95 1.I95 C Shift Assignments>> C :: 177.115 CA :: 57.442 CB :: 40.491 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 :: 8.18 HA :: 4.4 HB2 :: 2.91 HB3 :: 3.18 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 :: 119.74 Ave N Shift Values>> N :: 120.65(3.86) 1.Q70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 E 0.25 I 0.16 K 0.11 Q 0.08 C Shift Assignments>> C :: 177.631 CA :: 59.611 CB :: 28.676 CG :: 35.6 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 :: 7.5187 HA :: 3.299 HG2 :: 0.58(S) 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 :: 114.2352 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> C :: 179.319 CA :: 57.798 CB :: 40.693 CG :: 26.9 CD1 :: 24.111 CD2 :: 24.9225 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 :: 7.6236 HA :: 3.708 HB2 :: 1.604 HB3 :: 1.675 HG :: 1.457 HD11 :: 0.7383 HD12 :: 0.7383 HD13 :: 0.7383 HD21 :: 0.7445 HD22 :: 0.7445 HD23 :: 0.7445 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 :: 119.0842 Ave N Shift Values>> N :: 121.86(3.9) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.19 K 0.18 I 0.07 E 0.07 R 0.05 P 0.01 HN Overlap>> 1.N158 1.N158 C Shift Assignments>> C :: 178.416 CA :: 59.925 CB :: 28.138 CG :: 34.18 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 :: 8.0493 HA :: 3.399 HB2 :: 1.6 HG2 :: 2.01 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 :: 119.1788 Ave N Shift Values>> N :: 120.67(3.48) 1.I73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 177.818 CA :: 65.349 CB :: 36.745 CG1 :: 28.44 CG2 :: 16.4635 CD1 :: 16.1862 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 :: 7.3826 HA :: 3.207 HB :: 1.678 HG12 :: -0.395(S) HG13 :: 0.955 HG21 :: 0.5174 HG22 :: 0.5174 HG23 :: 0.5174 HD11 :: 0.7243 HD12 :: 0.7243 HD13 :: 0.7243 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8168 Ave N Shift Values>> N :: 121.46(4.28) 1.R74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 R 0.33 G 0.07 K 0.05 C Shift Assignments>> C :: 179.249 CA :: 59.744 CB :: 29.142 CG :: 28.48 CD :: 43.2 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 :: 7.4483 HA :: 3.489 HB2 :: 1.509 HB3 :: 1.589 HG2 :: 0.65(S) HG3 :: 1.24 HD2 :: 2.196(S) HD3 :: 2.398 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 :: 116.3418 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.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.46 R 0.05 C Shift Assignments>> C :: 177.309 CA :: 57.322 CB :: 32.582 CG :: 24.89 CD :: 29.34 CE :: 41.62 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 :: 7.8731 HA :: 3.9855 HB2 :: 1.6 HG2 :: 1.36 HG3 :: 1.3 HD2 :: 1.4 HE2 :: 2.67 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 :: 118.1173 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.06 C 0.04 M 0.01 C Shift Assignments>> C :: 178.028 CA :: 51.695 CB :: 20.9368 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.41 HA :: 4.485 HB1 :: 1.5662 HB2 :: 1.5662 HB3 :: 1.5662 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3518 Ave N Shift Values>> N :: 123.23(3.54) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.18 F 0.17 Y 0.13 D 0.11 C 0.07 R 0.04 I 0.02 N 0.01 C Shift Assignments>> C :: 175.836 CA :: 57.04 CB :: 41.534 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 :: 8.0683 HA :: 4.476 HB2 :: 2.703 HB3 :: 3.287 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.6909 Ave N Shift Values>> N :: 120.65(3.86) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 170.896 CA :: 59.916 CB :: 34.166 CG1 :: 20.1326 CG2 :: 22.0193 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 :: 7.3011 HA :: 4.437 HB :: 1.792 HG11 :: 0.7676 HG12 :: 0.7676 HG13 :: 0.7676 HG21 :: 0.7993 HG22 :: 0.7993 HG23 :: 0.7993 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 :: 112.3768 Ave N Shift Values>> N :: 121.14(4.54) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.16 L 0.12 C 0.11 N 0.05 I 0.03 K 0.02 C Shift Assignments>> C :: 172.391 CA :: 56.592 CB :: 40.031 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 :: 8.5087 HA :: 5.224 HD1 :: 6.9976 HE1 :: 6.808 HZ :: 6.759 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 :: 130.2851 Ave N Shift Values>> N :: 120.45(4.18) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 173.392 CA :: 59.739 CB :: 32.727 CG1 :: 20.9802 CG2 :: 21.3026 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 :: 8.7425 HA :: 4.903 HB :: 1.7 HG11 :: 0.6466 HG12 :: 0.6466 HG13 :: 0.6466 HG21 :: 0.6438 HG22 :: 0.6438 HG23 :: 0.6438 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.0603 Ave N Shift Values>> N :: 121.14(4.54) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 C 0.18 L 0.17 G 0.12 K 0.03 A 0.02 C Shift Assignments>> C :: 175.304 CA :: 49.046 CB :: 24.48 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7048 HA :: 5.505 HB1 :: 0.9226 HB2 :: 0.9226 HB3 :: 0.9226 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4851 Ave N Shift Values>> N :: 123.23(3.54) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.38 A 0.03 C Shift Assignments>> CA :: 57.947 CB :: 39.028 CG1 :: 28.96 CG2 :: 18.923 CD1 :: 14.4367 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 :: 8.2315 HA :: 4.75 HB :: 1.912 HG12 :: 0.955 HG13 :: 1.487 HG21 :: 0.9313 HG22 :: 0.9313 HG23 :: 0.9313 HD11 :: 0.6372 HD12 :: 0.6372 HD13 :: 0.6372 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.5223 Ave N Shift Values>> N :: 121.46(4.28) 1.P83 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 :: 176.449 CA :: 65.686 CB :: 31.273 CG :: 28.3698 CD :: 50.42 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.803 HG2 :: 1.33 HD2 :: 3.81 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.G84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.37 L 0.29 G 0.11 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.924 CA :: 43.604 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4465 HA2 :: 4.27 HA3 :: 3.59 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 125.4191(S) Ave N Shift Values>> N :: 109.67(3.87) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 HN Overlap>> 1.A141 1.A141 C Shift Assignments>> CA :: 60.368 CB :: 40.552 CG1 :: 27.24 CG2 :: 17.6982 CD1 :: 14.5499 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 :: 7.3008 HA :: 3.466 HB :: 1.408 HG12 :: 0.054 HG13 :: 1.127 HG21 :: 0.6356 HG22 :: 0.6356 HG23 :: 0.6356 HD11 :: 0.3694 HD12 :: 0.3694 HD13 :: 0.3694 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.1878 Ave N Shift Values>> N :: 121.46(4.28) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.62 P 0.36 C Shift Assignments>> CA :: 62.24 CB :: 33.14 CG :: 25.26 CD :: 49.89 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 :: 4.72 HB2 :: 2.42 HD2 :: 3.58 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.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 178.058 CA :: 62.1225 CB :: 31.613 CD :: 50.58 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 C 0.03 P 0.01 C Shift Assignments>> CA :: 54.012 CB :: 61.793 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3012 HA :: 4.965 HB3 :: 3.91 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 :: 116.6744 Ave N Shift Values>> N :: 116.28(3.52) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 179.09 CA :: 65.93 CB :: 31.89 CG :: 27.01 CD :: 51.2 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 175.278 CA :: 47.411 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6308 HA2 :: 4.04 HA3 :: 4.254 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.707 Ave N Shift Values>> N :: 109.67(3.87) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.302 CA :: 64.965 CB :: 68.176 CG2 :: 21.818 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 :: 7.1421 HA :: 4.361 HB :: 3.918 HG21 :: 1.0009 HG22 :: 1.0009 HG23 :: 1.0009 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 :: 116.3607 Ave N Shift Values>> N :: 115.42(4.75) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.27 C 0.16 W 0.04 V 0.02 K 0.01 R 0.01 C Shift Assignments>> C :: 176.6 CA :: 62.842 CB :: 28.331 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.631 HA :: 3.74 HD2 :: 6.395 HE1 :: 7.67 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.553 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 177.948 CA :: 66.27 CB :: 29.782 CG1 :: 20.0939 CG2 :: 22.2227 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 :: 7.5257 HA :: 3.207 HB :: 1.708 HG11 :: -0.6435(S) HG12 :: -0.6435(S) HG13 :: -0.6435(S) HG21 :: 0.8567 HG22 :: 0.8567 HG23 :: 0.8567 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 :: 121.6587 Ave N Shift Values>> N :: 121.14(4.54) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 R 0.17 I 0.17 W 0.1 Q 0.08 L 0.07 E 0.06 H 0.05 K 0.05 HN Overlap>> 1.K151 1.K151 C Shift Assignments>> C :: 177.784 CA :: 59.032 CB :: 27.33 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 :: 7.8425 HA :: 3.362 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 :: 117.826 Ave N Shift Values>> N :: 120.67(3.48) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 179.376 CA :: 65.241 CB :: 37.165 CG1 :: 30.15 CG2 :: 18.7472 CD1 :: 13.8312 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 :: 8.2231 HA :: 3.169 HB :: 1.732 HG12 :: 0.694 HG13 :: 2.027 HG21 :: 0.6282 HG22 :: 0.6282 HG23 :: 0.6282 HD11 :: 0.2297 HD12 :: 0.2297 HD13 :: 0.2297 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.7436 Ave N Shift Values>> N :: 121.46(4.28) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.107 CA :: 46.753 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6189 HA2 :: 3.11 HA3 :: 3.4 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.2392 Ave N Shift Values>> N :: 109.67(3.87) 1.W97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 C 0.15 Q 0.12 W 0.11 K 0.09 H 0.08 E 0.08 I 0.08 L 0.08 C Shift Assignments>> C :: 176.058 CA :: 57.922 CB :: 27.724 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.1673 HA :: 3.703 HB2 :: 3.15 HB3 :: 3.4 HD1 :: 7.22 HE1 :: 10.1935 HE3 :: 7.35 HZ2 :: 6.99 HZ3 :: 7.27 HH2 :: 7.16 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.1868 NE1 :: 127.0613 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.75 A 0.19 I 0.03 C 0.01 C Shift Assignments>> C :: 178.744 CA :: 55.231 CB :: 16.4968 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7135 HA :: 3.17 HB1 :: 0.0254(S) HB2 :: 0.0254(S) HB3 :: 0.0254(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.3971 Ave N Shift Values>> N :: 123.23(3.54) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.039 CA :: 60.283 CB :: 62.404 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6192 HA :: 3.95 HB3 :: 3.76 HG :: 5.13 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 :: 107.4218 Ave N Shift Values>> N :: 116.28(3.52) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.11 L 0.08 C 0.08 V 0.02 C Shift Assignments>> C :: 179.001 CA :: 54.644 CB :: 20.2891 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1179 HA :: 3.981 HB1 :: 0.8734 HB2 :: 0.8734 HB3 :: 0.8734 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.8022 Ave N Shift Values>> N :: 123.23(3.54) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.22 E 0.19 M 0.1 Y 0.09 F 0.06 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 174.515 CA :: 54.587 CB :: 36.765 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 :: 7.8878 HA :: 4.789 HB2 :: 2.667 HB3 :: 3.429 HD1 :: 6.75 HE1 :: 6.51 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 :: 115.6871 Ave N Shift Values>> N :: 120.45(4.18) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 Y 0.16 F 0.15 C 0.14 D 0.14 L 0.05 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 175.28 CA :: 55.023 CB :: 38.587 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 :: 7.7301 HA :: 4.445 HB2 :: 2.535 HB3 :: 3.07 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 :: 116.8351 Ave N Shift Values>> N :: 120.65(3.86) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.35 R 0.17 G 0.04 K 0.02 C Shift Assignments>> C :: 174.78 CA :: 51.53 CB :: 28.461 CE :: 42.04 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 :: 7.7651 HA :: 4.6 HE2 :: 3.03 HE3 :: 3.256 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 :: 115.5272 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 176.589 CA :: 62.763 CB :: 30.739 CD :: 50.66 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 :: 4.672 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.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 174.463 CA :: 60.358 CB :: 41.16 CG1 :: 27.26 CG2 :: 17.7985 CD1 :: 14.3872 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 :: 8.3481 HA :: 5.334 HB :: 1.678 HG12 :: 0.664 HG13 :: 1.818 HG21 :: 0.7479 HG22 :: 0.7479 HG23 :: 0.7479 HD11 :: 0.4192 HD12 :: 0.4192 HD13 :: 0.4192 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.672 Ave N Shift Values>> N :: 121.46(4.28) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 175.011 CA :: 60.134 CB :: 33.638 CG1 :: 21.5061 CG2 :: 22 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 :: 8.9985 HA :: 4.908 HB :: 1.813 HG11 :: 0.7168 HG12 :: 0.7168 HG13 :: 0.7168 HG21 :: 0.7486 HG22 :: 0.7486 HG23 :: 0.7486 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.4311 Ave N Shift Values>> N :: 121.14(4.54) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.25 C 0.21 R 0.04 K 0.01 C Shift Assignments>> C :: 174.843 CA :: 52.452 CB :: 44.041 CD1 :: 27.3494 CD2 :: 25.2534 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 :: 8.1701 HA :: 5.076 HB2 :: 0.785 HB3 :: 1.333 HD11 :: 0.6836 HD12 :: 0.6836 HD13 :: 0.6836 HD21 :: 0.6714 HD22 :: 0.6714 HD23 :: 0.6714 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.1896 Ave N Shift Values>> N :: 121.86(3.9) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.25 K 0.01 C Shift Assignments>> C :: 174.752 CA :: 53.636 CB :: 40.719 CD1 :: 25.4718 CD2 :: 25.8564 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 :: 8.4543 HA :: 5.062 HB2 :: 1.326 HB3 :: 1.799 HD11 :: 0.4942 HD12 :: 0.4942 HD13 :: 0.4942 HD21 :: 0.4617 HD22 :: 0.4617 HD23 :: 0.4617 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.0602 Ave N Shift Values>> N :: 121.86(3.9) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.29 C 0.13 G 0.04 R 0.02 C Shift Assignments>> C :: 174.95 CA :: 52.393 CB :: 42.629 CG :: 27.24 CD1 :: 24.9533 CD2 :: 21.7731 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 :: 8.7281 HA :: 4.346 HG :: 0.876 HD11 :: 0.3828 HD12 :: 0.3828 HD13 :: 0.3828 HD21 :: -0.1581 HD22 :: -0.1581 HD23 :: -0.1581 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.9488 Ave N Shift Values>> N :: 121.86(3.9) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 K 0.07 I 0.06 M 0.03 Q 0.03 C Shift Assignments>> C :: 176.843 CA :: 56.629 CB :: 29.479 CG :: 36.69 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 :: 8.4648 HA :: 3.44 HB2 :: 1.642 HB3 :: 1.729 HG2 :: 1.845 HG3 :: 2.176 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.1659 Ave N Shift Values>> N :: 120.67(3.48) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.3 K 0.13 Q 0.1 I 0.05 M 0.02 C Shift Assignments>> C :: 177 CA :: 57.072 CB :: 29.156 CG :: 35.96 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 :: 8.3194 HA :: 3.941 HB2 :: 1.51 HB3 :: 1.617 HG2 :: 2.005 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 :: 127.3251 Ave N Shift Values>> N :: 120.67(3.48) 1.G112 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 :: 175.301 CA :: 45.15 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0641 HA2 :: 3.803 HA3 :: 4.173 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.886 Ave N Shift Values>> N :: 109.67(3.87) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.28 K 0.14 G 0.07 L 0.05 C Shift Assignments>> C :: 176.66 CA :: 54.522 CB :: 29.602 CG :: 26.12 CD :: 43.25 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 :: 7.6183 HA :: 4.763 HD2 :: 2.868 HD3 :: 3.072 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 :: 118.9411 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.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.37 E 0.08 HN Overlap>> 1.F132 1.F132 C Shift Assignments>> C :: 177.846 CA :: 61.738 CB :: 29.38 CG :: 37.41 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 :: 8.8131 HA :: 3.928 HB2 :: 1.871 HB3 :: 2.102 HG2 :: 2.104 HG3 :: 2.34 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 :: 120.8271 Ave N Shift Values>> N :: 120.67(3.48) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.35 I 0.17 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.636 CA :: 57.892 CB :: 29.02 CG :: 37.12 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 :: 8.4778 HA :: 4.032 HB2 :: 1.89 HB3 :: 1.947 HG2 :: 2.186 HG3 :: 2.25 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 :: 112.8638 Ave N Shift Values>> N :: 120.67(3.48) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 I 0.12 K 0.04 HN Overlap>> 1.I149 1.I149 C Shift Assignments>> C :: 176.411 CA :: 56.384 CB :: 28.82 CG :: 37.41 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 :: 8.1568 HA :: 4.058 HB2 :: 1.77 HB3 :: 1.804 HG2 :: 2.018 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 :: 117.9682 Ave N Shift Values>> N :: 120.67(3.48) 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.25 C 0.18 I 0.09 D 0.05 N 0.03 L 0.03 E 0.03 M 0.01 C Shift Assignments>> C :: 176.444 CA :: 57.412 CB :: 38.699 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.4234 HA :: 4.564 HB2 :: 2.701 HB3 :: 3.025 HD1 :: 7.4157 HE1 :: 6.589 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.8256 Ave N Shift Values>> N :: 120.52(4.2) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.128 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.5218 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6595 Ave N Shift Values>> N :: 109.67(3.87) 1.F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.49 C 0.18 Y 0.16 F 0.13 E 0.01 C Shift Assignments>> C :: 177.635 CA :: 61.68 CB :: 38.307 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>> HA :: 4.033 HB2 :: 2.98 HB3 :: 3.282 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) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.4 R 0.08 C Shift Assignments>> C :: 177.736 CA :: 56.847 CB :: 41.525 CG :: 27.58 CD1 :: 26.3281 CD2 :: 24.769 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 :: 8.0666 HA :: 4.4733 HB2 :: 1.269 HB3 :: 1.386 HG :: 1.638 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 1.143 HD22 :: 1.143 HD23 :: 1.143 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 :: 115.5952 Ave N Shift Values>> N :: 121.86(3.9) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.421 CA :: 66.091 CB :: 30.99 CG1 :: 21.81 CG2 :: 23.2358 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 :: 6.7314 HA :: 3.457 HB :: 2.311 HG11 :: 0.8419 HG12 :: 0.8419 HG13 :: 0.8419 HG21 :: 1.0822 HG22 :: 1.0822 HG23 :: 1.0822 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 :: 113.3618 Ave N Shift Values>> N :: 121.14(4.54) 1.R122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 E 0.14 R 0.12 H 0.11 Q 0.08 K 0.06 M 0.05 V 0.04 I 0.02 C Shift Assignments>> C :: 178.327 CA :: 58.885 CB :: 30.558 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 :: 7.5629 HA :: 3.746 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 :: 114.7035 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.G123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 175.619 CA :: 44.265 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3067 HA2 :: 3.538 HA3 :: 4.159 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 130.6772(S) Ave N Shift Values>> N :: 109.67(3.87) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.24 L 0.15 C Shift Assignments>> C :: 177.682 CA :: 57.313 CB :: 41.815 CG :: 26.73 CD1 :: 22.8211 CD2 :: 27.9411 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 :: 7.2451 HA :: 3.964 HG :: 1.871 HD11 :: 0.9477 HD12 :: 0.9477 HD13 :: 0.9477 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.1278 Ave N Shift Values>> N :: 121.86(3.9) 1.G125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.984 CA :: 45.515 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0182 HA2 :: 3.898 HA3 :: 4.395 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 129.2865(S) Ave N Shift Values>> N :: 109.67(3.87) 1.T126 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 :: 176.69 CA :: 63.353 CB :: 69.544 CG2 :: 22.5102 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 :: 7.915 HA :: 4.331 HB :: 4.203 HG21 :: 1.4578 HG22 :: 1.4578 HG23 :: 1.4578 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.8962 Ave N Shift Values>> N :: 115.42(4.75) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 174.058 CA :: 59.718 CB :: 32.411 CG1 :: 21.6548 CG2 :: 18.8972 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 :: 7.5389 HA :: 4.584 HB :: 2.282 HG11 :: 0.6033 HG12 :: 0.6033 HG13 :: 0.6033 HG21 :: 0.8105 HG22 :: 0.8105 HG23 :: 0.8105 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 :: 111.9526 Ave N Shift Values>> N :: 121.14(4.54) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.07 C 0.05 C Shift Assignments>> C :: 174.306 CA :: 50.476 CB :: 21.3789 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9069 HA :: 4.528 HB1 :: 1.1932 HB2 :: 1.1932 HB3 :: 1.1932 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.6533 Ave N Shift Values>> N :: 123.23(3.54) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 173.562 CA :: 51.389 CB :: 17.9209 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3341 HA :: 4.304 HB1 :: 1.1243 HB2 :: 1.1243 HB3 :: 1.1243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9412 Ave N Shift Values>> N :: 123.23(3.54) 1.V130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 176.723 CA :: 59.262 CB :: 35.245 CG1 :: 21.909 CG2 :: 21.8587 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 :: 7.8394 HA :: 5.136 HB :: 1.395 HG11 :: -0.0315(S) HG12 :: -0.0315(S) HG13 :: -0.0315(S) HG21 :: 0.4897 HG22 :: 0.4897 HG23 :: 0.4897 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.1735 Ave N Shift Values>> N :: 121.14(4.54) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.3 E 0.2 C Shift Assignments>> C :: 174.413 CA :: 53.958 CB :: 32.419 CG :: 36.78 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 :: 8.4774 HA :: 4.52 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 :: 125.5168 Ave N Shift Values>> N :: 120.67(3.48) 1.F132 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.21 Y 0.18 L 0.16 D 0.15 K 0.11 C 0.09 I 0.02 N 0.02 HN Overlap>> 1.E114 1.E114 C Shift Assignments>> C :: 176.176 CA :: 56.782 CB :: 40.807 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 :: 8.8782 HA :: 5.016 HB2 :: 2.368 HB3 :: 2.917 HD1 :: 7.026 HE1 :: 7.207 HE2 :: 0(A) HZ :: 7.387 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.8205 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HE2 > HA : 0.9969) (HE2 > HB2 : 1.0000) (HE2 > HB3 : 0.9994) 1.V133 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 :: 174.267 CA :: 61.377 CB :: 33.281 CG1 :: 21.0216 CG2 :: 21.8257 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 :: 8.9614 HA :: 4.19 HB :: 1.824 HG11 :: 0.7844 HG12 :: 0.7844 HG13 :: 0.7844 HG21 :: 0.6619 HG22 :: 0.6619 HG23 :: 0.6619 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 :: 124.1854 Ave N Shift Values>> N :: 121.14(4.54) 1.H134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.13 C 0.13 W 0.11 K 0.11 E 0.08 M 0.06 C Shift Assignments>> C :: 175.516 CA :: 53.822 CB :: 29.604 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.8101 HA :: 5.817 HB2 :: 2.608 HB3 :: 3.102 HD2 :: 6.887 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 128.0768 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.2 D 0.16 R 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 HN Overlap>> 1.E40 1.E40 C Shift Assignments>> C :: 173.187 CA :: 55.749 CB :: 42.216 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 :: 8.7506 HA :: 5.067 HB2 :: 2.382 HB3 :: 2.707 HD1 :: 6.526 HE1 :: 6.431 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 :: 120.6639 Ave N Shift Values>> N :: 120.52(4.2) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.08 C Shift Assignments>> CA :: 56.852 CB :: 33.08 CG :: 24.86 CD :: 28.87 CE :: 41.75 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 :: 8.7304 HA :: 4.4 HB2 :: 1.76 HB3 :: 1.64 HG2 :: 1.4 HG3 :: 1.33 HD2 :: 1.62 HE2 :: 2.88 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 :: 122.1419 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.3 D 0.28 R 0.13 K 0.08 N 0.05 C 0.04 F 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 177.702 CA :: 52.672 CB :: 42.594 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>> HA :: 4.928 HB2 :: 2.526 HB3 :: 2.676 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) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.33 C Shift Assignments>> C :: 175.526 CA :: 62.191 CB :: 36.335 CG1 :: 28.79 CG2 :: 17.7992 CD1 :: 12.2932 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 :: 9.1707 HA :: 3.401 HB :: 1.448 HG12 :: 0.756 HG13 :: 0.858 HG21 :: 0.4858 HG22 :: 0.4858 HG23 :: 0.4858 HD11 :: 0.0708 HD12 :: 0.0708 HD13 :: 0.0708 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 :: 129.8742 Ave N Shift Values>> N :: 121.46(4.28) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.02 HN Overlap>> 1.K1 1.K1 C Shift Assignments>> C :: 180.764 CA :: 54.544 CB :: 18.1462 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0287 HA :: 3.687 HB1 :: 1.3312 HB2 :: 1.3312 HB3 :: 1.3312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3266 Ave N Shift Values>> N :: 123.23(3.54) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 A 0.06 C Shift Assignments>> C :: 177.886 CA :: 55.154 CB :: 40.78 CG :: 27.27 CD1 :: 25.1632 CD2 :: 22.5865 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 :: 7.4493 HA :: 4.162 HB2 :: 1.689 HB3 :: 1.762 HG :: 1.578 HD11 :: 0.9175 HD12 :: 0.9175 HD13 :: 0.9175 HD21 :: 0.8027 HD22 :: 0.8027 HD23 :: 0.8027 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 :: 117.0502 Ave N Shift Values>> N :: 121.86(3.9) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> C :: 177.837 CA :: 51.596 CB :: 19.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3576 HA :: 4.561 HB1 :: 1.29 HB2 :: 1.29 HB3 :: 1.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2657 Ave N Shift Values>> N :: 123.23(3.54) 1.K142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 K 0.05 R 0.03 C Shift Assignments>> C :: 174 CA :: 62.498 CB :: 28.87 CG :: 26.17 CD :: 29.1 CE :: 41.3122 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 :: 7.026 HA :: 3.377 HG2 :: 0.2364(S) HD2 :: 1.22 HD3 :: 1.27 HE2 :: 2.6 HE3 :: 2.484 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 :: 118.028 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 180.616 CA :: 65.67 CB :: 29.806 CG :: 28.42 CD :: 49.8 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 :: 4.412 HD2 :: 3.44 HD3 :: 3.62 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.Q144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.22 K 0.17 Q 0.16 I 0.08 R 0.01 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 179.397 CA :: 58.682 CB :: 28.46 CG :: 35.157 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 :: 7.3521 HA :: 4.153 HB2 :: 2.103 HB3 :: 2.265 HG2 :: 2.389 HG3 :: 2.496 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 :: 117.4848 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.132 CA :: 65.968 CB :: 36.866 CG1 :: 29.47 CG2 :: 16.9621 CD1 :: 14.8062 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 :: 8.2574 HA :: 3.466 HB :: 1.949 HG12 :: 0.61 HG13 :: 1.724 HG21 :: 0.9492 HG22 :: 0.9492 HG23 :: 0.9492 HD11 :: 0.4831 HD12 :: 0.4831 HD13 :: 0.4831 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.718 Ave N Shift Values>> N :: 121.46(4.28) 1.D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.1 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 179.416 CA :: 57.8 CB :: 39.419 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 :: 8.1939 HA :: 4.285 HB2 :: 2.68 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.47 Ave N Shift Values>> N :: 120.65(3.86) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.42 C 0.02 I 0.01 C Shift Assignments>> C :: 179.846 CA :: 54.55 CB :: 18.3101 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6972 HA :: 4.049 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1254 Ave N Shift Values>> N :: 123.23(3.54) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.29 C 0.05 L 0.01 I 0.01 V 0.01 HN Overlap>> 1.A160 1.A160 C Shift Assignments>> C :: 179.225 CA :: 55.028 CB :: 19.3469 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0485 HA :: 4.011 HB1 :: 1.3819 HB2 :: 1.3819 HB3 :: 1.3819 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2892 Ave N Shift Values>> N :: 123.23(3.54) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> 1.E116 1.E116 C Shift Assignments>> C :: 176.668 CA :: 65.251 CB :: 37.256 CG1 :: 29.99 CG2 :: 17.1408 CD1 :: 14.9808 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 :: 8.2185 HA :: 3.383 HB :: 1.927 HG12 :: 0.597 HG13 :: 1.537 HG21 :: 0.7224 HG22 :: 0.7224 HG23 :: 0.7224 HD11 :: 0.7623 HD12 :: 0.7623 HD13 :: 0.7623 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 :: 118.0579 Ave N Shift Values>> N :: 121.46(4.28) 1.R150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 G 0.06 K 0.02 L 0.02 C Shift Assignments>> C :: 178.493 CA :: 58.955 CB :: 28.979 CG :: 27.6203 CD :: 43.2783 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 :: 7.2536 HA :: 3.766 HB2 :: 1.799 HB3 :: 1.854 HG2 :: 1.598 HG3 :: 1.696 HD2 :: 3.108 HD3 :: 3.181 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 :: 116.7605 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.K151 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.54 K 0.45 HN Overlap>> 1.E94 1.E94 C Shift Assignments>> C :: 179.455 CA :: 59.011 CB :: 32.5 CG :: 25.35 CD :: 29.65 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 :: 7.9051 HA :: 4.022 HB2 :: 1.782 HB3 :: 1.838 HG2 :: 1.232 HG3 :: 1.435 HD2 :: 1.565 HD3 :: 1.595 HE2 :: 42.02(A) HE3 :: 2.904 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 :: 117.8985 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (H > HE2 : 1.0000) (HA > HE2 : 0.9935) 1.V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 176.903 CA :: 65.31 CB :: 30.727 CG1 :: 21.0561 CG2 :: 23.08 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 :: 8.4854 HA :: 3.928 HB :: 1.964 HG11 :: 0.9968 HG12 :: 0.9968 HG13 :: 0.9968 HG21 :: 1.0121 HG22 :: 1.0121 HG23 :: 1.0121 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 :: 119.2929 Ave N Shift Values>> N :: 121.14(4.54) 1.V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 178.358 CA :: 66.312 CB :: 30.334 CG1 :: 21.4128 CG2 :: 23.2516 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 :: 7.7968 HA :: 3.589 HB :: 2.027 HG11 :: 0.8546 HG12 :: 0.8546 HG13 :: 0.8546 HG21 :: 0.9335 HG22 :: 0.9335 HG23 :: 0.9335 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.06 Ave N Shift Values>> N :: 121.14(4.54) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.15 L 0.14 C 0.1 K 0.04 I 0.03 N 0.03 C Shift Assignments>> C :: 178.253 CA :: 56.833 CB :: 40.361 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 :: 7.6417 HA :: 4.418 HB2 :: 2.638 HB3 :: 2.759 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.5156 Ave N Shift Values>> N :: 120.65(3.86) 1.R155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.28 R 0.25 C Shift Assignments>> C :: 178.513 CA :: 58.524 CB :: 30.62 CG :: 27.41 CD :: 44.6 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 :: 7.7303 HA :: 4.022 HB2 :: 1.912 HG2 :: 1.629 HG3 :: 1.757 HD2 :: 3.072 HD3 :: 3.237 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 :: 118.3268 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.V156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 177.04 CA :: 64.155 CB :: 31.358 CG1 :: 21.4568 CG2 :: 22.4042 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 :: 7.5025 HA :: 3.848 HB :: 2.036 HG11 :: 0.9254 HG12 :: 0.9254 HG13 :: 0.9254 HG21 :: 0.9632 HG22 :: 0.9632 HG23 :: 0.9632 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.8386 Ave N Shift Values>> N :: 121.14(4.54) 1.N157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.18 C 0.1 Y 0.1 F 0.1 L 0.05 C Shift Assignments>> C :: 174.944 CA :: 53.896 CB :: 38.893 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 :: 7.9985 HA :: 4.61 HB2 :: 2.68 HB3 :: 2.77 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 :: 118.0718 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.13 C 0.08 F 0.03 Y 0.02 L 0.02 HN Overlap>> 1.E72 1.E72 C Shift Assignments>> CA :: 51.033 CB :: 38.737 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 :: 7.9713 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 :: 119.1792 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.23 R 0.03 C Shift Assignments>> C :: 177.028 CA :: 63.297 CB :: 31.206 CG :: 27.2861 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 :: 4.3677 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.A160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C 0.01 HN Overlap>> 1.A148 1.A148 C Shift Assignments>> C :: 177.449 CA :: 51.808 CB :: 18.38 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1139 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2995 Ave N Shift Values>> N :: 123.23(3.54) 1.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.535 CA :: 51.98 CB :: 18.593 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9536 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4475 Ave N Shift Values>> N :: 123.23(3.54) 1.T162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 58.331 CB :: 70.199 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 :: 7.8211 HA :: 4.238 HB :: 3.724 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 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 :: 115.0541 Ave N Shift Values>> N :: 115.42(4.75) 1.P163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 150 #Clerical: 0 #Suspicious: 10 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 160 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 161 #Suspicious: 2 C Shift Results: #Consistent: 621 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 908 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 3 N Shift Results: #Consistent: 137 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 Error Summary: 1.F47 HZ = 0(A), Expected = 7.00, Std = 0.4200, ChiSquare = 2.2901e-62 1.Q70 HG2 = 0.58(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.1602e-10 1.I73 HG12 = -0.395(S), Expected = 1.28, Std = 0.4000, ChiSquare = 2.8204e-05 1.R74 HG2 = 0.65(S), Expected = 1.57, Std = 0.2700, ChiSquare = 6.5583e-04 1.R74 HD2 = 2.196(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.1812e-04 1.G84 N = 125.4191(S), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7107e-05 1.V93 HG11 = -0.6435(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4506e-08 1.V93 HG12 = -0.6435(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4506e-08 1.V93 HG13 = -0.6435(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4506e-08 1.A98 HB1 = 0.0254(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4945e-07 1.A98 HB2 = 0.0254(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4945e-07 1.A98 HB3 = 0.0254(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4945e-07 1.G123 N = 130.6772(S), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6920e-08 1.G125 N = 129.2865(S), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0020e-07 1.V130 HG11 = -0.0315(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2149e-04 1.V130 HG12 = -0.0315(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2149e-04 1.V130 HG13 = -0.0315(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2149e-04 1.F132 HE2 = 0(A), Expected = 7.08, Std = 0.3200, ChiSquare = 0.0000e+00 1.F132 SRO Rule Break>> HE2 > HA : 0.996867167919799 1.F132 SRO Rule Break>> HE2 > HB2 : 1 1.F132 SRO Rule Break>> HE2 > HB3 : 0.99937343358396 1.K142 HG2 = 0.2364(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.3006e-05 1.K151 HE2 = 42.02(A), Expected = 2.92, Std = 0.1900, ChiSquare = 0.0000e+00 1.K151 SRO Rule Break>> H > HE2 : 1 1.K151 SRO Rule Break>> HA > HE2 : 0.99351606248158