Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 179.311 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 M 0.15 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 175.896 CA :: 56.552 CB :: 30.861 CG :: 36.413 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 :: 7.767 HA :: 4.295 HB2 :: 2.037 HB3 :: 1.878 HG2 :: 2.234 HG3 :: 2.234 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 :: 120.156 Ave N Shift Values>> N :: 120.67(3.48) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> C :: 177.121 CA :: 52.544 CB :: 19.500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.369 HA :: 4.264 HB1 :: 1.279 HB2 :: 1.279 HB3 :: 1.279 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.971 Ave N Shift Values>> N :: 123.23(3.54) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.K98 1.I7 1.K98 1.I7 C Shift Assignments>> C :: 176.111 CA :: 60.986 CB :: 39.277 CG1 :: 27.711 CG2 :: 17.796 CD1 :: 12.939 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 :: 8.161 HA :: 4.168 HB :: 1.780 HG12 :: 1.416 HG13 :: 1.126 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.000 Ave N Shift Values>> N :: 121.46(4.28) 1.L5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.112 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 :: 8.274 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.377 Ave N Shift Values>> N :: 121.86(3.9) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.103 CA :: 63.086 CB :: 32.161 CG :: 27.631 CD :: 50.931 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 :: 4.393 HB2 :: 2.221 HB3 :: 1.840 HG2 :: 1.966 HG3 :: 1.966 HD2 :: 3.859 HD3 :: 3.598 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.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.I4 1.I4 C Shift Assignments>> C :: 176.448 CA :: 61.620 CB :: 38.928 CG1 :: 27.948 CG2 :: 17.607 CD1 :: 13.502 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 :: 8.077 HA :: 4.035 HB :: 1.774 HG12 :: 1.424 HG13 :: 1.128 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.013 Ave N Shift Values>> N :: 121.46(4.28) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.1 C 0.02 L 0.01 C Shift Assignments>> C :: 177.792 CA :: 52.973 CB :: 19.500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.323 HA :: 4.279 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.259 Ave N Shift Values>> N :: 123.23(3.54) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 174.598 CA :: 58.427 CB :: 64.426 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.202 HA :: 4.400 HB2 :: 3.768 HB3 :: 3.768 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 :: 114.681 Ave N Shift Values>> N :: 116.28(3.52) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.951 CA :: 58.500 CB :: 64.435 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.183 HA :: 4.439 HB2 :: 3.834 HB3 :: 3.834 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.843 Ave N Shift Values>> N :: 116.28(3.52) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 Y 0.16 N 0.1 C 0.09 K 0.07 I 0.01 C Shift Assignments>> C :: 176.354 CA :: 55.463 CB :: 40.573 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.369 HA :: 4.484 HB2 :: 2.918 HB3 :: 2.655 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 :: 119.667 Ave N Shift Values>> N :: 120.17(4.64) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.2 R 0.17 Y 0.13 C 0.08 D 0.08 I 0.02 C Shift Assignments>> C :: 176.262 CA :: 57.644 CB :: 42.226 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.180 HA :: 4.627 HB2 :: 2.706 HB3 :: 2.836 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 :: 123.195 Ave N Shift Values>> N :: 120.17(4.64) 1.T13 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 :: 173.182 CA :: 62.340 CB :: 69.394 CG2 :: 21.815 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 :: 9.080 HA :: 4.270 HB :: 4.394 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 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 :: 116.471 Ave N Shift Values>> N :: 115.42(4.75) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.34 E 0.23 Q 0.05 C Shift Assignments>> C :: 174.349 CA :: 55.141 CB :: 32.122 CG :: 35.705 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 :: 7.607 HA :: 4.463 HB2 :: 1.999 HB3 :: 1.885 HG2 :: 2.117 HG3 :: 2.117 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.584 Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.19 HN Overlap>> 1.S9 1.S9 C Shift Assignments>> C :: 175.428 CA :: 59.765 CB :: 35.196 CG1 :: 19.410 CG2 :: 22.652 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 :: 8.260 HA :: 4.323 HB :: 1.766 HG11 :: 0.655 HG12 :: 0.655 HG13 :: 0.655 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.642 Ave N Shift Values>> N :: 121.14(4.54) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.602 CA :: 57.721 CB :: 64.701 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.612 HA :: 4.565 HB2 :: 3.777 HB3 :: 3.777 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.819 Ave N Shift Values>> N :: 116.28(3.52) 1.H17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.764 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 :: 8.118 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.587 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 H 0.34 W 0.24 C Shift Assignments>> C :: 173.351 CA :: 55.649 CB :: 32.803 CD2 :: 119.882 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 :: 7.889 HA :: 4.766 HB2 :: 2.991 HB3 :: 2.925 HD2 :: 7.007 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 :: 118.529 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 172.735 CA :: 59.184 CB :: 40.897 CG1 :: 27.954 CG2 :: 17.188 CD1 :: 14.254 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 :: 7.934 HA :: 4.298 HB :: 1.580 HG12 :: 1.254 HG13 :: 0.998 HG21 :: 0.551 HG22 :: 0.551 HG23 :: 0.551 HD11 :: 0.552 HD12 :: 0.552 HD13 :: 0.552 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.550 Ave N Shift Values>> N :: 121.46(4.28) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.297 CA :: 56.735 CB :: 65.174 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.722 HA :: 4.562 HB2 :: 3.786 HB3 :: 4.109 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.267 Ave N Shift Values>> N :: 116.28(3.52) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.39 G 0.09 K 0.02 C Shift Assignments>> C :: 178.308 CA :: 59.487 CB :: 29.566 CG :: 27.914 CD :: 43.496 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.939 HA :: 3.749 HB2 :: 1.847 HB3 :: 1.847 HG2 :: 1.662 HG3 :: 1.662 HD2 :: 3.229 HD3 :: 3.229 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.751 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.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 K 0.07 G 0.06 L 0.01 C Shift Assignments>> C :: 178.544 CA :: 58.729 CB :: 29.766 CG :: 26.653 CD :: 43.293 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.020 HA :: 3.963 HB2 :: 1.715 HB3 :: 1.715 HG2 :: 1.580 HG3 :: 1.580 HD2 :: 3.135 HD3 :: 3.135 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.146 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.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.03 C Shift Assignments>> C :: 178.990 CA :: 57.644 CB :: 42.111 CG :: 27.300 CD1 :: 24.387 CD2 :: 24.777 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 :: 7.216 HA :: 3.933 HB2 :: 1.515 HB3 :: 1.515 HG :: 1.415 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.705 HD22 :: 0.705 HD23 :: 0.705 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 :: 119.831 Ave N Shift Values>> N :: 121.86(3.9) 1.L24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.54 C 0.44 A 0.01 C Shift Assignments>> C :: 178.790 CA :: 56.963 CB :: 40.035 CG :: 25.991 CD1 :: 25.991 CD2 :: 22.957 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 :: 7.061 HA :: 3.431 HB2 :: 1.343 HB3 :: 0.187(S) HG :: 1.152 HD11 :: 0.258 HD12 :: 0.258 HD13 :: 0.258 HD21 :: -0.265(S) HD22 :: -0.265(S) HD23 :: -0.265(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.339 Ave N Shift Values>> N :: 121.86(3.9) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.39 I 0.08 M 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.509 CA :: 58.300 CB :: 30.289 CG :: 36.818 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 :: 7.395 HA :: 4.158 HB2 :: 2.121 HB3 :: 2.056 HG2 :: 2.454 HG3 :: 2.349 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 :: 115.368 Ave N Shift Values>> N :: 120.67(3.48) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.33 G 0.14 K 0.03 C Shift Assignments>> C :: 175.624 CA :: 54.815 CB :: 31.344 CG :: 27.509 CD :: 43.799 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 :: 7.598 HA :: 4.466 HB2 :: 1.764 HB3 :: 2.075 HG2 :: 1.623 HG3 :: 1.705 HD2 :: 3.115 HD3 :: 3.115 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 :: 116.260 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.V27 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 :: 176.654 CA :: 63.779 CB :: 33.016 CG1 :: 22.806 CG2 :: 24.777 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 :: 7.123 HA :: 3.933 HB :: 2.145 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 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 :: 120.886 Ave N Shift Values>> N :: 121.14(4.54) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.14 K 0.09 Y 0.08 C 0.06 C Shift Assignments>> C :: 174.623 CA :: 54.311 CB :: 40.932 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.044 HA :: 4.998 HB2 :: 2.829 HB3 :: 2.829 HD21 :: 7.687 HD22 :: 6.966 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.647 ND2 :: 112.223 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.29 E 0.28 Q 0.06 C Shift Assignments>> C :: 177.393 CA :: 56.110 CB :: 35.717 CG :: 31.832 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.591 HA :: 4.611 HB2 :: 1.827 HB3 :: 2.091 HG2 :: 2.361 HG3 :: 2.361 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 :: 117.862 Ave N Shift Values>> N :: 120.09(3.57) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 G 0.21 L 0.05 C Shift Assignments>> C :: 173.833 CA :: 54.491 CB :: 49.309 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.010 HA :: 5.754 HB2 :: 3.212 HB3 :: 3.309 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 :: 122.725 Ave N Shift Values>> N :: 120.17(4.64) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.29 R 0.08 K 0.06 C Shift Assignments>> C :: 173.790 CA :: 54.526 CB :: 35.278 CG :: 28.272 CD :: 43.809 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 :: 9.452 HA :: 5.304 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.592 HG3 :: 1.500 HD2 :: 3.242 HD3 :: 3.158 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 :: 125.037 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.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.054 CA :: 60.057 CB :: 38.928 CG1 :: 27.893 CG2 :: 17.266 CD1 :: 12.100 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 :: 8.492 HA :: 4.440 HB :: 1.785 HG12 :: 1.342 HG13 :: 1.143 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.612 Ave N Shift Values>> N :: 121.46(4.28) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.3 E 0.13 Q 0.11 C Shift Assignments>> C :: 174.661 CA :: 54.688 CB :: 32.156 CG :: 34.895 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 :: 9.153 HA :: 4.677 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 2.387 HG3 :: 2.246 HE21 :: 8.687 HE22 :: 7.234 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 :: 130.621 NE2 :: 114.261 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.4 G 0.12 K 0.04 C Shift Assignments>> C :: 175.390 CA :: 55.463 CB :: 33.127 CG :: 26.977 CD :: 43.630 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.680 HA :: 4.456 HB2 :: 1.794 HB3 :: 1.758 HG2 :: 1.606 HG3 :: 1.488 HD2 :: 3.113 HD3 :: 3.113 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.813 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.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> C :: 176.654 CA :: 51.710 CB :: 17.756 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.356 HA :: 4.323 HB1 :: 1.165 HB2 :: 1.165 HB3 :: 1.165 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.200 Ave N Shift Values>> N :: 123.23(3.54) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.22 N 0.17 K 0.08 C 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 176.278 CA :: 53.250 CB :: 41.178 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 :: 8.291 HA :: 4.599 HB2 :: 2.491 HB3 :: 2.928 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.913 Ave N Shift Values>> N :: 120.65(3.86) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.492 CA :: 46.075 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.160 HA2 :: 3.904 HA3 :: 3.852 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.273 Ave N Shift Values>> N :: 109.67(3.87) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 L 0.25 D 0.17 Y 0.11 R 0.08 C 0.07 N 0.01 I 0.01 C Shift Assignments>> C :: 176.245 CA :: 56.382 CB :: 41.791 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 :: 8.453 HA :: 4.565 HB2 :: 2.642 HB3 :: 2.642 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.264 Ave N Shift Values>> N :: 120.65(3.86) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.31 L 0.1 C 0.06 Y 0.05 C Shift Assignments>> C :: 173.942 CA :: 52.511 CB :: 39.925 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.986 HA :: 4.955 HB2 :: 2.888 HB3 :: 3.435 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.122 Ave N Shift Values>> N :: 120.17(4.64) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.24 K 0.21 Y 0.07 R 0.07 C 0.05 N 0.03 HN Overlap>> 1.Q64 1.Q64 C Shift Assignments>> C :: 175.269 CA :: 55.197 CB :: 41.819 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 :: 8.094 HA :: 4.644 HB2 :: 2.624 HB3 :: 2.624 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.804 Ave N Shift Values>> N :: 120.65(3.86) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.3 C 0.15 C Shift Assignments>> C :: 175.007 CA :: 53.848 CB :: 45.568 CG :: 26.660 CD1 :: 24.711 CD2 :: 25.358 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 :: 7.377 HA :: 4.520 HB2 :: 1.369 HB3 :: 1.369 HG :: 1.433 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.631 HD22 :: 0.631 HD23 :: 0.631 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 :: 118.659 Ave N Shift Values>> N :: 121.86(3.9) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 176.588 CA :: 51.053 CB :: 19.665 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.355 HA :: 4.603 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.611 Ave N Shift Values>> N :: 123.23(3.54) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.14 A 0.12 K 0.09 C Shift Assignments>> C :: 175.025 CA :: 52.063 CB :: 23.425 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.811 HA :: 4.614 HB1 :: 1.052 HB2 :: 1.052 HB3 :: 1.052 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.342 Ave N Shift Values>> N :: 123.23(3.54) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 174.081 CA :: 62.947 CB :: 32.836 CG1 :: 22.130 CG2 :: 20.822 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.038 HA :: 4.298 HB :: 1.787 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 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 :: 122.155 Ave N Shift Values>> N :: 121.14(4.54) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.222 CA :: 61.335 CB :: 38.653 CG1 :: 28.272 CG2 :: 18.894 CD1 :: 14.694 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 :: 9.386 HA :: 4.542 HB :: 1.848 HG12 :: 1.468 HG13 :: 1.060 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.797 Ave N Shift Values>> N :: 121.46(4.28) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 G 0.21 C 0.19 R 0.12 A 0.02 C Shift Assignments>> C :: 175.821 CA :: 52.872 CB :: 43.592 CG :: 26.653 CD1 :: 24.171 CD2 :: 26.977 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.129 HA :: 4.905 HB2 :: 1.713 HB3 :: 1.161 HG :: 1.536 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.411 HD22 :: 0.411 HD23 :: 0.411 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 :: 126.602 Ave N Shift Values>> N :: 121.86(3.9) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.32 C 0.29 C Shift Assignments>> C :: 174.754 CA :: 55.750 CB :: 31.300 CD2 :: 122.729 CE1 :: 138.001 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 :: 8.552 HA :: 5.265 HB2 :: 3.063 HB3 :: 3.063 HD2 :: 6.531 HE1 :: 7.544 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 :: 121.357 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.344 CA :: 61.154 CB :: 33.550 CG1 :: 21.168 CG2 :: 20.915 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 :: 8.420 HA :: 4.294 HB :: 1.843 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 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 :: 123.524 Ave N Shift Values>> N :: 121.14(4.54) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.28 K 0.24 G 0.02 C Shift Assignments>> C :: 176.420 CA :: 58.931 CB :: 30.460 CG :: 25.682 CD :: 29.381 CE :: 42.734 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.155 HA :: 3.764 HB2 :: 2.043 HB3 :: 1.890 HG2 :: 1.507 HG3 :: 1.421 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.968 HE3 :: 2.968 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 :: 125.472 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.07 K 0.04 HN Overlap>> 1.S56 1.S56 C Shift Assignments>> C :: 175.755 CA :: 57.215 CB :: 29.743 CG :: 27.901 CD :: 43.486 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.339 HA :: 4.218 HB2 :: 2.083 HB3 :: 1.850 HG2 :: 1.636 HG3 :: 1.575 HD2 :: 3.174 HD3 :: 3.174 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 :: 118.596 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.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.35 G 0.22 K 0.01 C Shift Assignments>> C :: 174.520 CA :: 55.725 CB :: 32.480 CG :: 26.977 CD :: 44.204 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.144 HA :: 4.459 HB2 :: 1.801 HB3 :: 1.801 HG2 :: 1.584 HG3 :: 1.584 HD2 :: 3.127 HD3 :: 3.127 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.670 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.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.36 G 0.23 K 0.01 C Shift Assignments>> C :: 175.166 CA :: 54.795 CB :: 32.173 CG :: 27.000 CD :: 44.131 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.437 HA :: 4.831 HB2 :: 1.459 HB3 :: 1.459 HG2 :: 1.059 HG3 :: 1.162 HD2 :: 2.971 HD3 :: 2.886 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.022 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.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 174.380 CA :: 60.786 CB :: 41.233 CG1 :: 28.389 CG2 :: 18.099 CD1 :: 14.371 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 :: 9.218 HA :: 4.240 HB :: 1.576 HG12 :: 0.939 HG13 :: 1.284 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.673 Ave N Shift Values>> N :: 121.46(4.28) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 C 0.06 C Shift Assignments>> C :: 173.959 CA :: 55.093 CB :: 46.227 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.821 HA :: 5.117 HB2 :: 3.599 HB3 :: 2.767 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 :: 126.050 Ave N Shift Values>> N :: 120.17(4.64) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 174.183 CA :: 60.129 CB :: 35.467 CG1 :: 21.900 CG2 :: 21.775 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.484 HA :: 4.728 HB :: 1.875 HG11 :: 0.819 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 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 :: 122.385 Ave N Shift Values>> N :: 121.14(4.54) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R50 1.R50 C Shift Assignments>> C :: 174.692 CA :: 57.722 CB :: 64.825 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.355 HA :: 4.501 HB2 :: 3.793 HB3 :: 3.628 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 :: 118.596 Ave N Shift Values>> N :: 116.28(3.52) 1.P57 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 :: 175.679 CA :: 63.694 CB :: 31.832 CG :: 27.439 CD :: 51.254 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 :: 4.165 HB2 :: 1.498 HB3 :: 2.001 HG2 :: 1.397 HG3 :: 1.616 HD2 :: 3.660 HD3 :: 3.660 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.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.29 C 0.28 C Shift Assignments>> C :: 175.868 CA :: 55.270 CB :: 30.866 CD2 :: 119.100 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 :: 7.537 HA :: 4.547 HB2 :: 2.783 HB3 :: 3.259 HD2 :: 6.935 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 :: 113.490 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 Y 0.21 L 0.19 C 0.11 N 0.11 K 0.04 I 0.02 C Shift Assignments>> CA :: 55.781 CB :: 40.250 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 :: 7.314 HA :: 4.558 HB2 :: 2.762 HB3 :: 2.656 HD21 :: 7.611 HD22 :: 7.474 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 :: 120.376 ND2 :: 113.733 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 W 0.35 H 0.19 C Shift Assignments>> C :: 176.962 CA :: 60.655 CB :: 30.970 CD2 :: 119.364 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>> HA :: 4.162 HB2 :: 3.246 HB3 :: 3.183 HD2 :: 7.117 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) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.290 CA :: 66.759 CB :: 68.434 CG2 :: 22.146 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 :: 7.740 HA :: 3.882 HB :: 4.308 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.762 Ave N Shift Values>> N :: 115.42(4.75) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.145 CA :: 66.456 CB :: 32.059 CG1 :: 21.337 CG2 :: 21.474 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 :: 8.515 HA :: 3.782 HB :: 2.105 HG11 :: 1.050 HG12 :: 1.050 HG13 :: 1.050 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 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 :: 123.241 Ave N Shift Values>> N :: 121.14(4.54) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.33 R 0.06 C Shift Assignments>> C :: 179.900 CA :: 60.826 CB :: 32.156 CG :: 25.690 CD :: 30.051 CE :: 41.543 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 :: 8.314 HA :: 3.999 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 1.680 HG3 :: 1.680 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.972 HE3 :: 2.972 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 :: 121.354 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.25 Q 0.24 R 0.05 E 0.05 I 0.02 M 0.01 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 177.879 CA :: 58.982 CB :: 28.555 CG :: 33.782 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 :: 8.045 HA :: 4.026 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.374 HG3 :: 2.306 HE21 :: 7.253 HE22 :: 6.880 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 :: 118.813 NE2 :: 111.859 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.38 HN Overlap>> 1.H81 1.H81 C Shift Assignments>> C :: 178.104 CA :: 61.633 CB :: 29.264 CD1 :: 127.129 CE3 :: 120.400 CZ2 :: 114.705 CZ3 :: 121.435 CH2 :: 124.282 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 :: 7.969 HA :: 4.267 HB2 :: 3.241 HB3 :: 3.530 HD1 :: 7.222 HE1 :: 10.007 HE3 :: 7.548 HZ2 :: 7.314 HZ3 :: 6.779 HH2 :: 6.849 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 :: 121.887 NE1 :: 130.898 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.21 Q 0.04 E 0.01 C Shift Assignments>> C :: 178.955 CA :: 59.891 CB :: 33.451 CG :: 33.276 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 :: 8.875 HA :: 3.410 HB2 :: 2.199 HB3 :: 1.998 HG2 :: 3.093 HG3 :: 2.473 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 :: 118.164 Ave N Shift Values>> N :: 120.09(3.57) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.31 R 0.17 G 0.01 C Shift Assignments>> C :: 179.386 CA :: 59.729 CB :: 32.480 CG :: 25.358 CD :: 30.214 CE :: 42.531 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 :: 7.545 HA :: 3.932 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.535 HG3 :: 1.336 HD2 :: 1.631 HD3 :: 1.631 HE2 :: 2.912 HE3 :: 2.912 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.759 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 179.432 CA :: 66.237 CB :: 31.837 CG1 :: 22.400 CG2 :: 21.194 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 :: 7.811 HA :: 3.625 HB :: 2.116 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 120.679 Ave N Shift Values>> N :: 121.14(4.54) 1.Q69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 K 0.28 Q 0.18 R 0.17 M 0.05 C Shift Assignments>> C :: 178.506 CA :: 57.862 CB :: 28.343 CG :: 32.482 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 :: 8.088 HA :: 3.621 HB2 :: 1.443 HB3 :: 1.663 HG2 :: 1.465 HG3 :: 1.101(S) HE21 :: 6.202 HE22 :: 6.865 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 :: 118.101 NE2 :: 113.743 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 178.394 CA :: 54.199 CB :: 18.267 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.701 HA :: 3.893 HB1 :: 1.343 HB2 :: 1.343 HB3 :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.775 Ave N Shift Values>> N :: 123.23(3.54) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.01 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> C :: 178.581 CA :: 52.873 CB :: 19.058 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.248 HA :: 4.228 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.697 Ave N Shift Values>> N :: 123.23(3.54) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.39 R 0.2 HN Overlap>> 1.A71 1.A71 C Shift Assignments>> C :: 176.286 CA :: 57.574 CB :: 33.127 CG :: 25.682 CD :: 29.566 CE :: 42.191 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 :: 7.232 HA :: 4.106 HB2 :: 1.739 HB3 :: 1.739 HG2 :: 1.383 HG3 :: 1.383 HD2 :: 1.561 HD3 :: 1.561 HE2 :: 2.856 HE3 :: 2.856 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 :: 118.697 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.16 G 0.02 C Shift Assignments>> C :: 176.993 CA :: 56.772 CB :: 32.931 CG :: 25.039 CD :: 29.133 CE :: 42.779 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 :: 8.153 HA :: 4.232 HB2 :: 1.906 HB3 :: 1.782 HG2 :: 1.352 HG3 :: 1.352 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.964 HE3 :: 2.964 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.074 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.16 Y 0.12 D 0.1 E 0.05 M 0.03 L 0.03 I 0.01 C Shift Assignments>> C :: 175.580 CA :: 54.163 CB :: 37.983 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 :: 8.378 HA :: 4.514 HB2 :: 2.914 HB3 :: 2.801 HD21 :: 7.551 HD22 :: 6.873 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.989 ND2 :: 112.779 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.007 CA :: 46.079 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.275 HA2 :: 4.013 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.247 Ave N Shift Values>> N :: 109.67(3.87) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.36 R 0.17 G 0.01 C Shift Assignments>> C :: 177.176 CA :: 56.180 CB :: 32.781 CG :: 25.283 CD :: 29.128 CE :: 42.407 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 :: 7.769 HA :: 4.327 HB2 :: 1.908 HB3 :: 1.690 HG2 :: 1.397 HG3 :: 1.397 HD2 :: 1.324 HD3 :: 1.324 HE2 :: 2.956 HE3 :: 2.956 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.128 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 C 0.02 R 0.01 C Shift Assignments>> C :: 173.285 CA :: 45.272 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.317 HA2 :: 3.952 HA3 :: 3.866 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.797 Ave N Shift Values>> N :: 109.67(3.87) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.21 C 0.08 Y 0.06 L 0.05 C Shift Assignments>> C :: 174.576 CA :: 52.846 CB :: 39.037 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 :: 7.738 HA :: 4.677 HB2 :: 2.672 HB3 :: 2.530 HD21 :: 7.437 HD22 :: 6.596 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 :: 119.642 ND2 :: 111.697 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.120 CA :: 62.770 CB :: 32.982 CG1 :: 21.194 CG2 :: 20.698 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 :: 7.882 HA :: 3.830 HB :: 1.895 HG11 :: 0.725 HG12 :: 0.725 HG13 :: 0.725 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 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 :: 120.201 Ave N Shift Values>> N :: 121.14(4.54) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.27 G 0.14 D 0.11 C 0.05 Y 0.02 K 0.02 C Shift Assignments>> C :: 174.296 CA :: 54.486 CB :: 43.809 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.283 HA :: 4.839 HB2 :: 2.836 HB3 :: 2.749 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.413 Ave N Shift Values>> N :: 120.17(4.64) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 H 0.33 W 0.27 HN Overlap>> 1.W65 1.W65 C Shift Assignments>> C :: 175.072 CA :: 56.457 CB :: 32.480 CD2 :: 120.141 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 :: 8.047 HA :: 4.593 HB2 :: 3.156 HB3 :: 2.974 HD2 :: 7.075 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 :: 121.936 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 G 0.13 K 0.05 C Shift Assignments>> C :: 175.905 CA :: 56.180 CB :: 31.858 CG :: 27.812 CD :: 43.900 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.617 HA :: 4.498 HB2 :: 1.819 HB3 :: 1.700 HG2 :: 1.594 HG3 :: 1.594 HD2 :: 3.120 HD3 :: 3.120 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.589 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.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.43 R 0.07 C Shift Assignments>> C :: 176.270 CA :: 56.664 CB :: 33.779 CG :: 25.182 CE :: 42.191 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 :: 8.528 HA :: 4.277 HB2 :: 1.792 HB3 :: 1.673 HG2 :: 1.392 HG3 :: 1.392 HE2 :: 2.948 HE3 :: 2.948 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.179 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.16 G 0.01 C Shift Assignments>> C :: 176.270 CA :: 56.603 CB :: 33.320 CG :: 25.081 CD :: 29.482 CE :: 42.407 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 :: 8.516 HA :: 4.262 HB2 :: 1.674 HB3 :: 1.674 HG2 :: 1.398 HG3 :: 1.398 HD2 :: 1.324 HD3 :: 1.324 HE2 :: 2.950 HE3 :: 2.950 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 :: 125.283 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 H 0.33 W 0.29 C Shift Assignments>> CA :: 57.405 CB :: 31.509 CD2 :: 119.105 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 :: 8.402 HA :: 4.481 HB2 :: 3.096 HB3 :: 2.814 HD2 :: 7.043 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 :: 120.570 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.36 W 0.32 C 0.3 C Shift Assignments>> C :: 175.546 CA :: 56.169 CB :: 31.346 CD2 :: 120.658 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>> HA :: 4.567 HB2 :: 2.985 HB3 :: 2.985 HD2 :: 6.976 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) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G103 1.G103 C Shift Assignments>> C :: 174.142 CA :: 45.402 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.339 HA2 :: 3.955 HA3 :: 3.861 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.516 Ave N Shift Values>> N :: 109.67(3.87) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 176.831 CA :: 56.413 CB :: 33.505 CG :: 25.182 CD :: 29.533 CE :: 41.867 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 :: 8.249 HA :: 4.228 HB2 :: 1.683 HB3 :: 1.683 HG2 :: 1.310 HG3 :: 1.310 HD2 :: 1.383 HD3 :: 1.383 HE2 :: 2.946 HE3 :: 2.946 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.837 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.38 G 0.1 K 0.04 C Shift Assignments>> C :: 176.176 CA :: 56.477 CB :: 30.863 CG :: 27.610 CD :: 43.698 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.442 HA :: 4.256 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.579 HG3 :: 1.579 HD2 :: 3.131 HD3 :: 3.131 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.836 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.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.24 Y 0.1 C 0.1 L 0.08 C Shift Assignments>> C :: 175.363 CA :: 53.839 CB :: 39.147 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 :: 8.533 HA :: 4.676 HB2 :: 2.722 HB3 :: 2.722 HD21 :: 7.451 HD22 :: 6.797 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 :: 120.701 ND2 :: 112.706 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.399 CA :: 58.654 CB :: 64.172 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.302 HA :: 4.433 HB2 :: 3.866 HB3 :: 3.866 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 :: 116.662 Ave N Shift Values>> N :: 116.28(3.52) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.24 C 0.09 Y 0.09 L 0.07 C Shift Assignments>> C :: 175.390 CA :: 53.579 CB :: 39.202 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 :: 8.368 HA :: 4.662 HB2 :: 2.787 HB3 :: 2.787 HD21 :: 6.756 HD22 :: 6.267 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.006 ND2 :: 113.219 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.38 G 0.07 K 0.06 C Shift Assignments>> C :: 176.167 CA :: 56.457 CB :: 30.862 CG :: 27.509 CD :: 43.496 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.209 HA :: 4.251 HB2 :: 1.795 HB3 :: 1.709 HG2 :: 1.588 HG3 :: 1.588 HD2 :: 3.127 HD3 :: 3.127 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.537 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.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.1 C 0.02 C Shift Assignments>> C :: 177.692 CA :: 52.948 CB :: 19.391 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.204 HA :: 4.208 HB1 :: 1.270 HB2 :: 1.270 HB3 :: 1.270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.533 Ave N Shift Values>> N :: 123.23(3.54) 1.H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 C 0.12 Q 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 175.297 CA :: 56.331 CB :: 30.537 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 :: 8.223 HA :: 4.566 HB2 :: 3.107 HB3 :: 3.034 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 :: 118.401 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.24 C 0.24 E 0.1 M 0.07 R 0.01 C Shift Assignments>> C :: 176.295 CA :: 56.157 CB :: 29.566 CG :: 34.086 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 :: 8.203 HA :: 4.282 HB2 :: 2.062 HB3 :: 1.914 HG2 :: 2.279 HG3 :: 2.279 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.698 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.996 CA :: 45.348 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.435 HA2 :: 3.915 HA3 :: 3.829 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.344 Ave N Shift Values>> N :: 109.67(3.87) 1.K98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I4 1.I4 H Shift Assignments>> H :: 8.204 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.902 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.41 C 0.36 M 0.11 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> C :: 176.445 CA :: 56.755 CB :: 30.531 CG :: 36.514 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 :: 4.241 HB2 :: 1.818 HB3 :: 1.818 HG2 :: 2.115 HG3 :: 2.115 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.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.389 CA :: 62.088 CB :: 70.099 CG2 :: 22.045 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 :: 8.157 HA :: 4.209 HB :: 4.074 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 115.153 Ave N Shift Values>> N :: 115.42(4.75) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.361 CA :: 58.326 CB :: 38.767 CD1 :: 133.342 CE1 :: 118.329 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 :: 8.195 HA :: 4.504 HB2 :: 3.019 HB3 :: 2.884 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 6.763 HE2 :: 6.763 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 :: 122.527 Ave N Shift Values>> N :: 120.52(4.2) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G87 1.G87 C Shift Assignments>> C :: 173.900 CA :: 45.424 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.245 HA2 :: 3.828 HA3 :: 3.762 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.491 Ave N Shift Values>> N :: 109.67(3.87) 1.H104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 W 0.12 C 0.12 E 0.12 Q 0.11 M 0.09 K 0.07 C Shift Assignments>> C :: 175.072 CA :: 56.130 CB :: 30.751 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 :: 8.108 HA :: 4.572 HB2 :: 3.091 HB3 :: 3.016 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 :: 119.004 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.12 C Shift Assignments>> C :: 175.885 CA :: 56.505 CB :: 33.301 CG :: 24.979 CD :: 29.533 CE :: 42.180 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 :: 8.364 HA :: 4.279 HB2 :: 1.787 HB3 :: 1.679 HG2 :: 1.393 HG3 :: 1.393 HD2 :: 1.317 HD3 :: 1.317 HE2 :: 2.954 HE3 :: 2.954 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 :: 122.651 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.054 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 :: 8.421 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 :: 128.120 Ave N Shift Values>> N :: 115.42(4.75) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 P 0.06 A 0.01 C Shift Assignments>> C :: 175.367 CA :: 63.231 CB :: 34.422 CG :: 24.387 CD :: 50.283 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 :: 4.609 HB2 :: 2.246 HB3 :: 2.051 HG2 :: 1.588 HG3 :: 1.831 HD2 :: 3.424 HD3 :: 3.491 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.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> CA :: 59.347 CB :: 39.601 CD1 :: 133.342 CE1 :: 118.329 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 :: 7.353 HA :: 4.322 HB2 :: 3.007 HB3 :: 2.874 HD1 :: 7.042 HD2 :: 7.042 HE1 :: 6.755 HE2 :: 6.755 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 :: 124.019 Ave N Shift Values>> N :: 120.52(4.2) ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 0 C Shift Results: #Consistent: 434 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 693 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L24 HB3 = 0.187(S), Expected = 1.52, Std = 0.3600, ChiSquare = 2.1325e-04 1.L24 HD21 = -0.265(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0128e-04 1.L24 HD22 = -0.265(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0128e-04 1.L24 HD23 = -0.265(S), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0128e-04 1.Q69 HG3 = 1.101(S), Expected = 2.29, Std = 0.2900, ChiSquare = 4.1315e-05