Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.81 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 174.200 CA :: 45.127 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.323 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S95 1.L105 1.S95 1.L105 1.T133 1.T133 C Shift Assignments>> C :: 174.236 CA :: 58.057 CB :: 63.244 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.161 HA :: 4.418 HB2 :: 3.871 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 :: 115.499 Ave N Shift Values>> N :: 116.28(3.52) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.15 W 0.12 R 0.11 E 0.1 L 0.07 M 0.03 I 0.01 C Shift Assignments>> C :: 174.240 CA :: 55.160 CB :: 28.529 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 :: 8.615 HA :: 4.684 HB2 :: 3.116 HB3 :: 3.210 HD2 :: 7.310 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 :: 120.244 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 Q 0.2 K 0.03 C Shift Assignments>> C :: 175.618 CA :: 55.305 CB :: 32.502 CG :: 31.944 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 :: 8.324 HA :: 4.403 HB2 :: 1.910 HB3 :: 2.008 HG2 :: 2.477 HG3 :: 2.514 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 :: 121.655 Ave N Shift Values>> N :: 120.09(3.57) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> C :: 177.068 CA :: 52.084 CB :: 18.582 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.297 HA :: 4.258 HB1 :: 1.348 HB2 :: 1.348 HB3 :: 1.348 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.140 Ave N Shift Values>> N :: 123.23(3.54) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.13 F 0.03 Y 0.03 L 0.02 HN Overlap>> 1.E100 1.E100 C Shift Assignments>> C :: 173.801 CA :: 50.826 CB :: 38.574 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 :: 8.291 HA :: 4.914 HB2 :: 2.778 HB3 :: 2.651 HD21 :: 7.559 HD22 :: 6.959 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 :: 118.590 ND2 :: 112.503 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.703 CA :: 63.282 CB :: 31.482 CG :: 27.090 CD :: 50.615 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 :: 4.386 HB2 :: 2.203 HB3 :: 1.858 HG2 :: 1.950 HG3 :: 1.906 HD2 :: 3.766 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.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.16 Y 0.07 F 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 174.714 CA :: 53.032 CB :: 38.537 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 :: 8.266 HA :: 4.608 HB2 :: 2.690 HB3 :: 2.599 HD21 :: 7.495 HD22 :: 6.867 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.170 ND2 :: 112.742 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.31 D 0.1 I 0.08 L 0.06 N 0.06 E 0.01 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 175.037 CA :: 57.090 CB :: 39.108 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 :: 7.886 HA :: 4.643 HB2 :: 3.004 HB3 :: 3.004 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 :: 120.320 Ave N Shift Values>> N :: 120.45(4.18) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.223 CA :: 58.570 CB :: 69.722 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 :: 8.006 HA :: 4.488 HB :: 4.530 HG21 :: 1.674 HG22 :: 1.674 HG23 :: 1.674 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 :: 120.010 Ave N Shift Values>> N :: 115.42(4.75) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.39 W 0.05 I 0.03 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.772 CA :: 62.717 CB :: 31.512 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 :: 4.349 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.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.363 CA :: 57.828 CB :: 63.440 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.380 HA :: 4.507 HB2 :: 3.900 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 :: 115.973 Ave N Shift Values>> N :: 116.28(3.52) 1.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 Q 0.17 R 0.17 H 0.14 K 0.12 W 0.1 E 0.06 M 0.02 C Shift Assignments>> C :: 173.691 CA :: 53.870 CB :: 28.010 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 :: 8.309 HA :: 5.649 HB2 :: 3.930 HB3 :: 2.903 HD1 :: 6.836 HE1 :: 10.283 HE3 :: 7.111 HZ2 :: 7.420 HZ3 :: 7.221 HH2 :: 7.333 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 :: 124.500 NE1 :: 128.150 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.49 V 0.44 W 0.02 I 0.01 C Shift Assignments>> C :: 174.704 CA :: 63.514 CB :: 32.070 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 :: 4.388 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.L15 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 G 0.41 C Shift Assignments>> C :: 177.724 CA :: 54.283 CB :: 44.357 CG :: 27.609 CD1 :: 17.706(S) CD2 :: 21.095 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 :: 7.917 HA :: 5.125 HB2 :: 1.495 HB3 :: 1.451 HG :: 0.962 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.321 HD22 :: 0.321 HD23 :: 0.321 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 :: 119.190 Ave N Shift Values>> N :: 121.86(3.9) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.26 K 0.16 F 0.1 D 0.09 Y 0.06 G 0.01 C Shift Assignments>> C :: 173.711 CA :: 56.574 CB :: 42.775 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.502 HA :: 5.001 HB2 :: 2.358 HD1 :: 6.964 HD2 :: 6.964 HE1 :: 6.851 HE2 :: 6.851 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.620 Ave N Shift Values>> N :: 120.52(4.2) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 E 0.17 Q 0.15 N 0.12 K 0.12 Y 0.03 H 0.02 F 0.01 R 0.01 C Shift Assignments>> C :: 176.384 CA :: 53.745 CB :: 35.289 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 :: 9.199 HA :: 5.537 HB2 :: 1.112 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.34 L 0.1 F 0.04 Y 0.03 C Shift Assignments>> C :: 178.117 CA :: 51.019 CB :: 40.346 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 :: 8.347 HA :: 4.833 HB2 :: 2.874 HB3 :: 2.672 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 :: 122.520 Ave N Shift Values>> N :: 120.65(3.86) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.48 I 0.01 C Shift Assignments>> C :: 178.639 CA :: 54.075 CB :: 17.514 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.463 HA :: 3.969 HB1 :: 1.283 HB2 :: 1.283 HB3 :: 1.283 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.510 Ave N Shift Values>> N :: 123.23(3.54) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.27 L 0.08 F 0.07 Y 0.06 C Shift Assignments>> C :: 175.856 CA :: 52.999 CB :: 39.465 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 :: 7.853 HA :: 4.715 HB2 :: 3.208 HB3 :: 2.742 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 :: 115.110 Ave N Shift Values>> N :: 120.65(3.86) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 HN Overlap>> 1.G75 1.G75 C Shift Assignments>> C :: 173.279 CA :: 45.400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.011 HA2 :: 4.119 HA3 :: 3.300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.890 Ave N Shift Values>> N :: 109.67(3.87) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 V 0.36 W 0.07 I 0.07 R 0.01 E 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 175.633 CA :: 62.728 CB :: 31.062 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 :: 8.036 HB :: 2.174 HG11 :: 1.382 HG12 :: 1.382 HG13 :: 1.382 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 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 :: 123.037 Ave N Shift Values>> N :: 121.14(4.54) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.16 Y 0.07 F 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 174.254 CA :: 53.001 CB :: 38.557 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 :: 8.477 HA :: 4.877 HB2 :: 3.092 HB3 :: 2.755 HD1 :: 6.733 HD2 :: 6.733 HE1 :: 6.965 HE2 :: 6.965 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.632 Ave N Shift Values>> N :: 120.52(4.2) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 K 0.15 R 0.14 M 0.12 H 0.11 E 0.11 V 0.11 Q 0.05 C Shift Assignments>> C :: 175.507 CA :: 58.957 CB :: 31.824 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 :: 8.929 HA :: 3.940 HB :: 2.091 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 :: 131.17 Ave N Shift Values>> N :: 121.14(4.54) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.042 CA :: 58.186 CB :: 63.306 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.008 HA :: 4.226 HB2 :: 3.900 HB3 :: 4.083 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 :: 115.330 Ave N Shift Values>> N :: 116.28(3.52) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 A 0.27 K 0.06 P 0.01 HN Overlap>> 1.S54 1.S54 C Shift Assignments>> C :: 174.730 CA :: 50.836 CB :: 23.306 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.648 HA :: 4.875 HB1 :: 0.704 HB2 :: 0.704 HB3 :: 0.704 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.637 Ave N Shift Values>> N :: 123.23(3.54) 1.L27 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.94 A 0.04 HN Overlap>> 1.N41 1.N41 C Shift Assignments>> C :: 174.546 CA :: 56.077 CB :: 41.336 CG :: 27.077 CD1 :: 22.726 CD2 :: 23.694 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 :: 8.249 HA :: 5.88(S) HB2 :: 1.236 HB3 :: 1.119 HG :: 1.495 HD11 :: -0.046 HD12 :: -0.046 HD13 :: -0.046 HD21 :: -1.922(A) HD22 :: -1.922(A) HD23 :: -1.922(A) 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 :: 115.997 Ave N Shift Values>> N :: 121.86(3.9) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.44 P 0.28 W 0.08 K 0.04 R 0.03 E 0.02 H 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 175.497 CA :: 61.717 CB :: 32.027 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 :: 4.611 HD2 :: 4.104 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.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.S72 1.S72 C Shift Assignments>> C :: 177.234 CA :: 60.027 CB :: 38.645 CG1 :: 26.815 CG2 :: 21.639 CD1 :: 12.267 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 :: 8.751 HA :: 4.746 HB :: 1.158 HG12 :: 1.723 HG21 :: 0.558 HG22 :: 0.558 HG23 :: 0.558 HD11 :: 0.134 HD12 :: 0.134 HD13 :: 0.134 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 :: 118.035 Ave N Shift Values>> N :: 121.46(4.28) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.3 G 0.01 C Shift Assignments>> C :: 175.011 CA :: 57.024 CB :: 31.996 CG :: 25.296 CD :: 29.103 CE :: 42.378 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 :: 9.022 HA :: 4.300 HB2 :: 1.846 HB3 :: 1.785 HG2 :: 1.465 HG3 :: 1.468 HD2 :: 1.746 HD3 :: 1.583 HE2 :: 2.962 HE3 :: 2.969 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 :: 130.93 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 L 0.05 M 0.01 C Shift Assignments>> C :: 173.937 CA :: 51.131 CB :: 20.963 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.549 HA :: 4.307 HB1 :: 1.178 HB2 :: 1.178 HB3 :: 1.178 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.284 Ave N Shift Values>> N :: 123.23(3.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.804 CA :: 60.234 CB :: 40.384 CG2 :: 21.514 CD1 :: 12.811 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 :: 8.382 HA :: 4.309 HB :: 1.847 HG12 :: 1.133 HG13 :: 1.501 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 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 :: 118.780 Ave N Shift Values>> N :: 121.46(4.28) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 G 0.01 C Shift Assignments>> C :: 176.393 CA :: 53.395 CB :: 32.810 CE :: 41.639 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 :: 8.271 HA :: 4.605 HB2 :: 1.676 HB3 :: 1.773 HE2 :: 2.988 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.720 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.32 I 0.24 L 0.02 D 0.01 E 0.01 C Shift Assignments>> C :: 175.795 CA :: 59.062 CB :: 38.954 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 :: 8.958 HA :: 4.605 HB2 :: 2.730 HB3 :: 2.852 HD1 :: 7.066 HD2 :: 7.066 HE1 :: 6.549 HE2 :: 6.549 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.120 Ave N Shift Values>> N :: 120.52(4.2) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 L 0.03 C Shift Assignments>> C :: 179.610 CA :: 50.148 CB :: 20.841 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.661 HA :: 4.752 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.270 Ave N Shift Values>> N :: 123.23(3.54) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 Y 0.19 E 0.15 F 0.14 D 0.06 M 0.06 I 0.02 L 0.02 K 0.01 C Shift Assignments>> C :: 175.579 CA :: 55.139 CB :: 37.541 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 :: 8.814 HA :: 4.547 HB2 :: 2.878 HB3 :: 3.113 HD21 :: 7.580 HD22 :: 6.905 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 :: 118.840 ND2 :: 111.801 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.26 L 0.08 F 0.07 Y 0.06 C Shift Assignments>> C :: 176.758 CA :: 52.954 CB :: 39.441 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 :: 7.787 HA :: 4.593 HB2 :: 2.591 HB3 :: 2.755 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 :: 116.186 Ave N Shift Values>> N :: 120.65(3.86) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 174.734 CA :: 45.223 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.876 HA2 :: 4.420 HA3 :: 3.833 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.060 Ave N Shift Values>> N :: 109.67(3.87) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.14 Y 0.12 F 0.12 W 0.09 I 0.09 V 0.06 T 0.06 E 0.06 K 0.05 R 0.04 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 173.079 CA :: 59.533 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.620 HA :: 5.447 HB2 :: 3.234 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.255 Ave N Shift Values>> N :: 116.28(3.52) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.09 C Shift Assignments>> C :: 173.872 CA :: 50.753 CB :: 21.418 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.431 HA :: 4.892 HB1 :: 1.533 HB2 :: 1.533 HB3 :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.577 Ave N Shift Values>> N :: 123.23(3.54) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.04 M 0.04 Y 0.04 F 0.03 E 0.03 HN Overlap>> 1.L27 1.L27 C Shift Assignments>> C :: 174.549 CA :: 51.639 CB :: 37.195 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 :: 8.242 HA :: 5.211 HB2 :: 2.147 HB3 :: 2.396 HD21 :: 7.212 HD22 :: 6.719 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 :: 116.004 ND2 :: 110.766 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C Shift Assignments>> C :: 174.663 CA :: 52.589 CB :: 19.448 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.906 HA :: 4.448 HB1 :: 1.125 HB2 :: 1.125 HB3 :: 1.125 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.732 Ave N Shift Values>> N :: 123.23(3.54) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 R 0.18 M 0.15 W 0.13 Q 0.13 E 0.07 K 0.06 P 0.01 C Shift Assignments>> C :: 174.780 CA :: 52.807 CB :: 30.539 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 :: 8.370 HA :: 4.862 HB2 :: 1.827 HB3 :: 1.827 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.891 Ave N Shift Values>> N :: 120.67(3.48) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.25 K 0.15 D 0.12 F 0.09 Y 0.06 G 0.01 C Shift Assignments>> C :: 175.225 CA :: 56.082 CB :: 42.748 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 :: 8.916 HA :: 4.239 HB2 :: 2.512 HB3 :: 3.226 HD1 :: 7.109 HD2 :: 7.109 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.020 Ave N Shift Values>> N :: 120.45(4.18) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.11 K 0.11 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> C :: 176.254 CA :: 53.850 CB :: 41.315 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 :: 9.042 HA :: 4.869 HB2 :: 2.815 HB3 :: 2.936 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 :: 119.877 Ave N Shift Values>> N :: 120.65(3.86) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.3 R 0.24 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.620 CA :: 44.124 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.186 HA2 :: 4.475 HA3 :: 3.816 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.706 Ave N Shift Values>> N :: 109.67(3.87) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.61 V 0.27 P 0.04 R 0.04 L 0.01 C Shift Assignments>> C :: 174.874 CA :: 62.641 CB :: 28.970 CG :: 24.451 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 :: 4.572 HB2 :: 1.741 HB3 :: 1.675 HG2 :: 1.326 HG3 :: 1.260 HD2 :: 3.078 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.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.18 L 0.16 K 0.06 N 0.04 I 0.03 C Shift Assignments>> C :: 175.674 CA :: 56.657 CB :: 40.421 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 :: 7.459 HA :: 4.561 HB2 :: 2.378 HB3 :: 2.296 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.858 HE2 :: 6.858 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 :: 120.290 Ave N Shift Values>> N :: 120.52(4.2) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 177.075 CA :: 51.532 CB :: 18.934 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.509 HA :: 4.346 HB1 :: 1.546 HB2 :: 1.546 HB3 :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.230 Ave N Shift Values>> N :: 123.23(3.54) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.28 F 0.1 L 0.1 Y 0.1 C Shift Assignments>> C :: 176.070 CA :: 53.801 CB :: 39.517 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 :: 8.374 HA :: 4.701 HB2 :: 2.579 HB3 :: 2.579 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.612 Ave N Shift Values>> N :: 120.65(3.86) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 Q 0.29 E 0.04 K 0.02 C Shift Assignments>> C :: 174.198 CA :: 56.331 CB :: 31.979 CG :: 33.364 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 :: 8.730 HA :: 4.934 HB2 :: 2.162 HG2 :: 2.557 HE21 :: 6.971 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 :: 120.374 NE2 :: 114.104 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 K 0.16 F 0.11 Y 0.09 N 0.06 R 0.02 C Shift Assignments>> C :: 177.838 CA :: 55.030 CB :: 41.328 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 :: 8.069 HA :: 4.406 HB2 :: 1.704 HB3 :: 1.652 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.463 Ave N Shift Values>> N :: 120.52(4.2) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.17 H 0.14 Q 0.13 K 0.13 R 0.13 I 0.04 M 0.03 V 0.01 HN Overlap>> 1.T134 1.T134 C Shift Assignments>> C :: 172.844 CA :: 58.154 CB :: 29.618 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 :: 8.167 HA :: 4.287 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 :: 115.880 Ave N Shift Values>> N :: 120.09(3.57) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A26 1.A26 C Shift Assignments>> C :: 173.517 CA :: 56.986 CB :: 64.202 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.554 HA :: 4.424 HB2 :: 4.091 HB3 :: 3.906 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 :: 117.637 Ave N Shift Values>> N :: 116.28(3.52) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.3 I 0.03 C Shift Assignments>> C :: 170.941 CA :: 54.858 CB :: 17.097 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.957 HA :: 4.570 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.080 Ave N Shift Values>> N :: 123.23(3.54) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.26 R 0.24 E 0.04 I 0.03 M 0.01 HN Overlap>> 1.F61 1.F61 C Shift Assignments>> C :: 177.638 CA :: 58.600 CB :: 27.396 CG :: 33.564 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 :: 8.258 HA :: 4.107 HB2 :: 2.148 HB3 :: 2.029 HG2 :: 2.382 HE21 :: 7.396 HE22 :: 6.820 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 :: 116.693 NE2 :: 111.577 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.145 CA :: 66.048 CB :: 67.502 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 :: 7.640 HA :: 3.639 HB :: 4.101 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 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 :: 118.870 Ave N Shift Values>> N :: 115.42(4.75) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.466 CA :: 66.770 CB :: 31.114 CG1 :: 18.375 CG2 :: 21.609 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 :: 8.403 HA :: 3.144 HB :: 2.101 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 0.135 HG22 :: 0.135 HG23 :: 0.135 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 :: 121.160 Ave N Shift Values>> N :: 121.14(4.54) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.45 I 0.01 C Shift Assignments>> C :: 179.384 CA :: 54.390 CB :: 17.588 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.725 HA :: 4.079 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.520 Ave N Shift Values>> N :: 123.23(3.54) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.307 CA :: 64.303 CB :: 31.599 CG1 :: 20.459 CG2 :: 22.091 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 :: 7.618 HA :: 3.802 HB :: 1.842 HG11 :: 0.956 HG12 :: 0.956 HG13 :: 0.956 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 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 :: 115.140 Ave N Shift Values>> N :: 121.14(4.54) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.31 I 0.13 D 0.04 E 0.04 N 0.03 L 0.03 M 0.01 HN Overlap>> 1.Q56 1.Q56 C Shift Assignments>> C :: 175.351 CA :: 57.639 CB :: 38.560 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 :: 8.224 HA :: 4.570 HB2 :: 2.745 HB3 :: 3.446 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 :: 116.750 Ave N Shift Values>> N :: 120.45(4.18) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 H 0.19 W 0.16 E 0.15 R 0.15 M 0.05 K 0.02 L 0.01 I 0.01 C Shift Assignments>> C :: 173.360 CA :: 55.843 CB :: 29.305 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 :: 8.174 HA :: 3.911 HB2 :: 1.940 HB3 :: 2.125 HG2 :: 1.294 HG3 :: 1.674 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 :: 112.283 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.4 P 0.37 W 0.07 I 0.03 R 0.02 K 0.02 E 0.02 H 0.01 M 0.01 C Shift Assignments>> C :: 175.203 CA :: 62.236 CB :: 31.581 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.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 K 0.16 H 0.14 R 0.13 Q 0.1 W 0.07 E 0.03 P 0.02 C Shift Assignments>> C :: 175.705 CA :: 52.951 CB :: 32.493 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 :: 7.270 HA :: 4.550 HB2 :: 1.820 HG2 :: 2.386 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 :: 115.053 Ave N Shift Values>> N :: 120.67(3.48) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 P 0.41 I 0.1 W 0.01 C Shift Assignments>> C :: 177.488 CA :: 65.183 CB :: 30.781 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 :: 8.461 HA :: 3.170 HB :: 2.072 HG11 :: 0.898 HG12 :: 0.898 HG13 :: 0.898 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 :: 120.930 Ave N Shift Values>> N :: 121.14(4.54) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.23 R 0.11 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.393 CA :: 44.559 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.925 HA2 :: 3.422 HA3 :: 4.349 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.505 Ave N Shift Values>> N :: 109.67(3.87) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.3 R 0.25 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 170.972 CA :: 44.117 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.899 HA2 :: 4.193 HA3 :: 4.262 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.953 Ave N Shift Values>> N :: 109.67(3.87) 1.Y68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.34 F 0.31 I 0.09 D 0.09 L 0.06 N 0.05 E 0.01 C Shift Assignments>> C :: 175.946 CA :: 57.214 CB :: 39.033 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 :: 8.412 HA :: 4.702 HB2 :: 2.552 HB3 :: 3.613 HD1 :: 6.092 HD2 :: 6.092 HE1 :: 5.836(S) HE2 :: 5.836(S) 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 :: 115.282 Ave N Shift Values>> N :: 120.52(4.2) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.11 R 0.06 F 0.04 Y 0.02 HN Overlap>> 1.F9 1.F9 C Shift Assignments>> C :: 175.779 CA :: 58.665 CB :: 45.032 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 :: 7.995 HA :: 5.236 HB2 :: 1.635 HB3 :: 1.795 HD11 :: 1.088 HD12 :: 1.088 HD13 :: 1.088 HD21 :: 0.967 HD22 :: 0.967 HD23 :: 0.967 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 :: 120.333 Ave N Shift Values>> N :: 121.86(3.9) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.21 K 0.21 F 0.09 R 0.09 Y 0.06 N 0.02 C Shift Assignments>> C :: 172.668 CA :: 55.267 CB :: 41.986 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 :: 8.936 HA :: 5.977 HB2 :: 2.118 HB3 :: 3.823 HD1 :: 6.596 HD2 :: 6.596 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 :: 116.140 Ave N Shift Values>> N :: 120.45(4.18) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 K 0.19 R 0.13 C Shift Assignments>> C :: 177.715 CA :: 52.895 CB :: 31.990 CG :: 30.336 CD :: 43.551 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 :: 9.195 HA :: 5.394 HB2 :: 2.139 HB3 :: 2.008 HG2 :: 1.769 HG3 :: 1.930 HD2 :: 3.200 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 :: 117.753 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.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 176.189 CA :: 56.351 CB :: 65.497 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.749 HA :: 4.813 HB2 :: 4.061 HB3 :: 4.056 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 :: 118.080 Ave N Shift Values>> N :: 116.28(3.52) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 Q 0.14 L 0.12 W 0.12 K 0.1 H 0.09 E 0.09 I 0.08 M 0.01 C Shift Assignments>> C :: 175.947 CA :: 57.674 CB :: 27.568 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 :: 9.487 HA :: 3.996 HB2 :: 1.860 HE21 :: 6.407 HE22 :: 6.305 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.271 NE2 :: 112.743 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 Y 0.25 F 0.17 N 0.08 M 0.07 I 0.06 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 176.353 CA :: 56.664 CB :: 37.297 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 :: 7.599 HA :: 4.704 HB2 :: 2.665 HB3 :: 2.665 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 120.52(4.2) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 HN Overlap>> 1.G21 1.G21 C Shift Assignments>> C :: 174.076 CA :: 45.026 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.912 HA2 :: 4.036 HA3 :: 3.366 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.904 Ave N Shift Values>> N :: 109.67(3.87) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.3 E 0.14 M 0.11 R 0.01 C Shift Assignments>> C :: 174.703 CA :: 55.459 CB :: 29.659 CG :: 34.193 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 :: 7.392 HA :: 4.224 HB2 :: 1.931 HB3 :: 1.914 HG2 :: 2.279 HG3 :: 2.407 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 :: 120.750 Ave N Shift Values>> N :: 120.67(3.48) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 L 0.29 R 0.13 C Shift Assignments>> C :: 174.396 CA :: 54.396 CB :: 41.969 CG :: 28.782 CD1 :: 25.446 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 :: 8.405 HA :: 4.588 HB2 :: 1.991 HB3 :: 1.876 HG :: 1.493 HD11 :: 0.489 HD12 :: 0.489 HD13 :: 0.489 HD21 :: 1.176 HD22 :: 1.176 HD23 :: 1.176 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 :: 126.100 Ave N Shift Values>> N :: 121.86(3.9) 1.L78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 G 0.35 C Shift Assignments>> C :: 173.073 CA :: 53.221 CB :: 44.522 CG :: 25.179 CD1 :: 19.213(S) 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 :: 9.005 HA :: 4.233 HB2 :: 1.343 HG :: 1.388 HD11 :: 1.403 HD12 :: 1.403 HD13 :: 1.403 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 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 :: 128.807 Ave N Shift Values>> N :: 121.86(3.9) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.2 F 0.11 Y 0.08 R 0.05 N 0.03 C Shift Assignments>> C :: 175.025 CA :: 55.337 CB :: 41.662 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.076 HA :: 5.493 HB2 :: 3.111 HB3 :: 2.800 HD1 :: 6.838 HD2 :: 6.838 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 :: 115.560 Ave N Shift Values>> N :: 120.52(4.2) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 Y 0.18 F 0.16 D 0.16 L 0.05 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 172.571 CA :: 54.889 CB :: 38.547 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 :: 8.193 HA :: 4.223 HB2 :: 2.440 HB3 :: 2.463 HE1 :: 2.099 HE2 :: 2.099 HE3 :: 2.099 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 :: 127.440 Ave N Shift Values>> N :: 120.09(3.57) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.168 CA :: 57.358 CB :: 63.931 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.449 HA :: 4.469 HB2 :: 3.903 HB3 :: 3.854 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 :: 116.690 Ave N Shift Values>> N :: 116.28(3.52) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 P 0.39 Q 0.08 K 0.07 M 0.01 I 0.01 C Shift Assignments>> C :: 178.359 CA :: 60.555 CB :: 32.088 CG :: 27.247 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 :: 8.989 HA :: 4.279 HB2 :: 2.037 HB3 :: 1.973 HG2 :: 1.108 HG3 :: 1.734 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 :: 121.540 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.335 CA :: 64.701 CB :: 68.192 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 :: 8.080 HA :: 3.940 HB :: 4.057 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 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 :: 108.410 Ave N Shift Values>> N :: 115.42(4.75) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.47 I 0.01 C Shift Assignments>> C :: 179.705 CA :: 54.295 CB :: 17.602 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.486 HA :: 4.082 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.120 Ave N Shift Values>> N :: 123.23(3.54) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 V 0.24 I 0.2 P 0.12 S 0.07 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 178.112 CA :: 62.282 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 :: 8.926 HA :: 4.904 HB2 :: 2.478 HB3 :: 2.870 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 :: 120.357 Ave N Shift Values>> N :: 120.45(4.18) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.27 E 0.17 R 0.09 I 0.04 HN Overlap>> 1.S93 1.S93 1.S106 1.S106 C Shift Assignments>> C :: 177.691 CA :: 57.449 CB :: 27.778 CG :: 34.568 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 :: 8.101 HA :: 3.958 HB2 :: 2.278 HB3 :: 2.278 HG2 :: 2.620 HG3 :: 2.472 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 :: 114.163 Ave N Shift Values>> N :: 120.67(3.48) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 178.301 CA :: 52.869 CB :: 18.452 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.235 HA :: 4.223 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.940 Ave N Shift Values>> N :: 123.23(3.54) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.26 K 0.15 R 0.11 F 0.06 Y 0.04 N 0.04 C Shift Assignments>> C :: 173.898 CA :: 54.170 CB :: 42.195 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 :: 7.136 HA :: 4.452 HB2 :: 2.215 HB3 :: 1.843 HD21 :: 7.565 HD22 :: 6.836 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.470 ND2 :: 112.296 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.32 D 0.11 L 0.09 I 0.08 N 0.04 C Shift Assignments>> C :: 174.861 CA :: 57.214 CB :: 39.621 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 :: 7.823 HA :: 4.497 HB2 :: 3.171 HD1 :: 6.838 HD2 :: 6.838 HE1 :: 5.982 HE2 :: 5.982 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 :: 117.490 Ave N Shift Values>> N :: 120.52(4.2) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.279 CA :: 59.895 CB :: 71.165 CG2 :: 21.430 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 :: 8.581 HA :: 4.642 HB :: 4.483 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.180 Ave N Shift Values>> N :: 115.42(4.75) 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 :: 175.006 CA :: 59.492 CB :: 62.763 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.946 HA :: 5.007 HB2 :: 3.674 HB3 :: 3.812 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 :: 119.783 Ave N Shift Values>> N :: 116.28(3.52) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.06 C Shift Assignments>> C :: 176.868 CA :: 51.450 CB :: 19.144 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.297 HA :: 4.484 HB1 :: 1.257 HB2 :: 1.257 HB3 :: 1.257 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.480 Ave N Shift Values>> N :: 123.23(3.54) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E86 1.S106 1.E86 1.S106 C Shift Assignments>> C :: 175.015 CA :: 58.124 CB :: 63.251 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.016 HA :: 4.435 HB2 :: 3.863 HB3 :: 3.863 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 :: 114.160 Ave N Shift Values>> N :: 116.28(3.52) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.212 CA :: 45.018 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.316 HA2 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.173 Ave N Shift Values>> N :: 109.67(3.87) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L105 1.T110 1.S2 1.L105 1.T110 1.S2 C Shift Assignments>> C :: 174.690 CA :: 58.130 CB :: 63.246 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.149 HA :: 4.466 HB2 :: 3.918 HB3 :: 3.854 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 :: 115.570 Ave N Shift Values>> N :: 116.28(3.52) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.126 CA :: 61.966 CB :: 32.012 CG1 :: 21.025 CG2 :: 21.087 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 :: 8.046 HA :: 4.113 HB :: 2.049 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 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 :: 121.250 Ave N Shift Values>> N :: 121.14(4.54) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.15 C Shift Assignments>> C :: 177.666 CA :: 52.386 CB :: 18.497 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.224 HA :: 4.232 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.510 Ave N Shift Values>> N :: 123.23(3.54) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.15 Y 0.07 F 0.07 L 0.03 M 0.01 HN Overlap>> 1.N128 1.N128 C Shift Assignments>> C :: 175.178 CA :: 52.979 CB :: 38.518 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 :: 8.199 HA :: 4.643 HB2 :: 2.783 HB3 :: 2.783 HD21 :: 7.556 HD22 :: 6.857 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.400 ND2 :: 111.418 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.17 C Shift Assignments>> C :: 178.005 CA :: 52.603 CB :: 18.493 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.164 HA :: 4.228 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.800 Ave N Shift Values>> N :: 123.23(3.54) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.36 R 0.1 E 0.07 M 0.04 HN Overlap>> 1.N6 1.N6 1.T130 1.T130 C Shift Assignments>> C :: 176.758 CA :: 56.060 CB :: 28.467 CG :: 33.773 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 :: 8.271 HA :: 4.390 HB2 :: 2.003 HB3 :: 1.904 HG2 :: 2.394 HG3 :: 2.407 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.560 Ave N Shift Values>> N :: 120.67(3.48) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.750 CA :: 61.636 CB :: 69.313 CG2 :: 21.139 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 :: 7.939 HA :: 4.258 HB :: 3.548 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.940 Ave N Shift Values>> N :: 115.42(4.75) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 177.836 CA :: 52.795 CB :: 18.494 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.179 HA :: 4.246 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 123.23(3.54) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.24 F 0.11 Y 0.11 L 0.08 C Shift Assignments>> C :: 176.133 CA :: 53.909 CB :: 39.214 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 :: 8.228 HA :: 4.543 HB2 :: 2.727 HB3 :: 2.727 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.960 Ave N Shift Values>> N :: 120.65(3.86) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.27 C Shift Assignments>> C :: 176.223 CA :: 56.284 CB :: 31.941 CG :: 24.984 CD :: 28.856 CE :: 41.973 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 :: 8.065 HA :: 4.247 HB2 :: 1.762 HB3 :: 1.804 HG2 :: 1.455 HD2 :: 1.675 HE2 :: 3.001 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 :: 120.779 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.16 F 0.11 Y 0.08 N 0.06 R 0.02 HN Overlap>> 1.S95 1.S95 1.S2 1.T133 1.S2 1.T133 C Shift Assignments>> C :: 177.796 CA :: 55.014 CB :: 41.350 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 :: 8.165 HA :: 4.262 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 :: 115.526 Ave N Shift Values>> N :: 121.86(3.9) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S93 1.E86 1.S93 1.E86 C Shift Assignments>> C :: 175.190 CA :: 58.477 CB :: 63.024 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.015 HA :: 4.455 HB2 :: 3.878 HB3 :: 3.878 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 :: 114.180 Ave N Shift Values>> N :: 116.28(3.52) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.543 CA :: 61.458 CB :: 69.306 CG2 :: 21.204 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 :: 8.010 HA :: 4.269 HB :: 4.134 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 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 :: 115.003 Ave N Shift Values>> N :: 115.42(4.75) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.15 C Shift Assignments>> C :: 177.792 CA :: 52.511 CB :: 18.608 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.092 HA :: 4.286 HB1 :: 1.346 HB2 :: 1.346 HB3 :: 1.346 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.590 Ave N Shift Values>> N :: 123.23(3.54) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.1 K 0.06 L 0.01 C Shift Assignments>> C :: 176.543 CA :: 55.789 CB :: 30.148 CG :: 27.133 CD :: 43.315 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 :: 8.158 HA :: 4.348 HB2 :: 1.791 HB3 :: 1.839 HG2 :: 1.668 HG3 :: 1.612 HD2 :: 3.208 HD3 :: 3.208 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 :: 119.730 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.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S95 1.S126 1.S95 1.S126 C Shift Assignments>> C :: 174.538 CA :: 61.832 CB :: 69.307 CG2 :: 20.506 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 :: 8.090 HA :: 4.282 HB :: 4.134 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 115.660 Ave N Shift Values>> N :: 115.42(4.75) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.255 CA :: 60.914 CB :: 38.067 CG1 :: 28.321 CG2 :: 18.510 CD1 :: 13.742 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 :: 8.145 HA :: 4.200 HB :: 1.836 HG12 :: 0.918 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 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 :: 123.300 Ave N Shift Values>> N :: 121.46(4.28) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.530 CA :: 61.290 CB :: 69.350 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 :: 8.168 HA :: 4.319 HB :: 4.075 HG21 :: 1.260 HG22 :: 1.260 HG23 :: 1.260 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 :: 118.660 Ave N Shift Values>> N :: 115.42(4.75) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.07 A 0.03 G 0.02 C Shift Assignments>> C :: 177.522 CA :: 54.850 CB :: 42.418 CG :: 27.217 CD1 :: 25.105 CD2 :: 23.339 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 :: 8.311 HA :: 4.425 HB2 :: 1.682 HB3 :: 1.624 HG :: 1.638 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 124.702 Ave N Shift Values>> N :: 121.86(3.9) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.163 CA :: 61.472 CB :: 69.340 CG2 :: 21.212 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 :: 8.024 HA :: 4.323 HB :: 4.235 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.800 Ave N Shift Values>> N :: 115.42(4.75) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 HN Overlap>> 1.G119 1.G119 C Shift Assignments>> C :: 173.777 CA :: 45.026 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.272 HA2 :: 3.928 HA3 :: 3.936 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.800 Ave N Shift Values>> N :: 109.67(3.87) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 HN Overlap>> 1.I131 1.I131 C Shift Assignments>> C :: 177.886 CA :: 52.082 CB :: 18.784 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.025 HA :: 4.362 HB1 :: 1.348 HB2 :: 1.348 HB3 :: 1.348 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.188 Ave N Shift Values>> N :: 123.23(3.54) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.581 CA :: 61.860 CB :: 32.003 CG1 :: 21.139 CG2 :: 21.247 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 :: 8.108 HA :: 4.231 HB :: 2.120 HG11 :: 0.962 HG12 :: 0.962 HG13 :: 0.962 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 118.930 Ave N Shift Values>> N :: 121.14(4.54) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.175 CA :: 61.438 CB :: 69.516 CG2 :: 21.368 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 :: 8.135 HA :: 4.330 HB :: 4.235 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 117.056 Ave N Shift Values>> N :: 115.42(4.75) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 L 0.28 D 0.07 F 0.05 K 0.05 G 0.04 Y 0.03 I 0.01 HN Overlap>> 1.G115 1.G115 C Shift Assignments>> C :: 173.923 CA :: 43.158 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.321 HA2 :: 3.996 HA3 :: 3.996 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.883 Ave N Shift Values>> N :: 109.67(3.87) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.375 CA :: 57.776 CB :: 63.333 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.560 HA :: 4.674 HB2 :: 4.480 HB3 :: 3.860 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 :: 115.027 Ave N Shift Values>> N :: 116.28(3.52) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.15 C Shift Assignments>> C :: 177.675 CA :: 52.392 CB :: 18.499 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.309 HA :: 4.316 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.640 Ave N Shift Values>> N :: 123.23(3.54) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.377 CA :: 57.886 CB :: 63.250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.079 HA :: 4.376 HB2 :: 3.701 HB3 :: 3.701 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.963 Ave N Shift Values>> N :: 116.28(3.52) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.32 I 0.1 D 0.07 L 0.05 N 0.04 E 0.01 C Shift Assignments>> C :: 175.624 CA :: 57.430 CB :: 39.006 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 :: 8.135 HA :: 4.673 HB2 :: 3.113 HB3 :: 3.118 HD1 :: 7.268 HD2 :: 7.268 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.687 Ave N Shift Values>> N :: 120.45(4.18) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.27 L 0.08 F 0.08 Y 0.07 C Shift Assignments>> C :: 176.113 CA :: 53.220 CB :: 39.460 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 :: 8.242 HA :: 4.618 HB2 :: 2.741 HB3 :: 2.764 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.563 Ave N Shift Values>> N :: 120.65(3.86) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.551 CA :: 45.487 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.880 HA2 :: 3.891 HA3 :: 3.891 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.933 Ave N Shift Values>> N :: 109.67(3.87) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T110 1.T110 C Shift Assignments>> C :: 174.421 CA :: 58.161 CB :: 63.249 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.109 HA :: 4.389 HB2 :: 3.860 HB3 :: 3.925 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 :: 115.698 Ave N Shift Values>> N :: 116.28(3.52) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 177.379 CA :: 52.277 CB :: 18.553 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.177 HA :: 4.326 HB1 :: 1.351 HB2 :: 1.351 HB3 :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.890 Ave N Shift Values>> N :: 123.23(3.54) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.16 Y 0.07 F 0.07 L 0.04 M 0.01 HN Overlap>> 1.N98 1.N98 C Shift Assignments>> C :: 175.136 CA :: 52.996 CB :: 38.526 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 :: 8.230 HA :: 4.724 HB2 :: 2.784 HB3 :: 2.694 HD21 :: 7.300 HD22 :: 6.906 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.490 ND2 :: 111.877 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.267 CA :: 61.803 CB :: 32.060 CG1 :: 25.064 CG2 :: 21.895 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 :: 7.962 HA :: 4.240 HB :: 2.125 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 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 :: 119.807 Ave N Shift Values>> N :: 121.14(4.54) 1.T130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E100 1.E100 C Shift Assignments>> C :: 174.403 CA :: 61.577 CB :: 69.334 CG2 :: 21.724 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 :: 8.249 HA :: 4.350 HB :: 4.159 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 118.460 Ave N Shift Values>> N :: 115.42(4.75) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A116 1.A116 C Shift Assignments>> C :: 176.136 CA :: 60.547 CB :: 38.070 CG1 :: 27.311 CG2 :: 17.536 CD1 :: 13.024 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 :: 8.118 HA :: 4.229 HB :: 1.879 HG12 :: 1.464 HG13 :: 1.169 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 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 :: 123.173 Ave N Shift Values>> N :: 121.46(4.28) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.37 R 0.08 E 0.06 M 0.05 C Shift Assignments>> C :: 176.262 CA :: 55.516 CB :: 28.722 CG :: 33.743 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 :: 8.379 HA :: 4.429 HB2 :: 2.142 HB3 :: 2.000 HG2 :: 2.435 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.178 Ave N Shift Values>> N :: 120.67(3.48) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L105 1.S2 1.L105 1.S2 C Shift Assignments>> C :: 174.853 CA :: 61.327 CB :: 69.376 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 :: 8.203 HA :: 4.434 HB :: 4.378 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 :: 115.450 Ave N Shift Values>> N :: 115.42(4.75) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.M53 1.M53 C Shift Assignments>> C :: 174.692 CA :: 61.205 CB :: 69.310 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 :: 8.160 HA :: 4.470 HB :: 3.895 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 :: 115.810 Ave N Shift Values>> N :: 115.42(4.75) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.027 CA :: 58.213 CB :: 63.251 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.329 HA :: 4.518 HB2 :: 3.896 HB3 :: 3.952 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 :: 117.753 Ave N Shift Values>> N :: 116.28(3.52) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.555 CA :: 45.109 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.360 HA2 :: 4.080 HA3 :: 4.080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.214 Ave N Shift Values>> N :: 109.67(3.87) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.296 CA :: 59.068 CB :: 64.184 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.863 HA :: 4.303 HB2 :: 3.856 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 :: 119.977 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 133 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 0 C Shift Results: #Consistent: 458 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 733 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 3 N Shift Results: #Consistent: 141 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L15 Typing: Mistyped 1.L15 CD1 = 17.706(S), Expected = 24.72, Std = 1.5900, ChiSquare = 1.0274e-05 1.L27 HA = 5.88(S), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0292e-04 1.L27 HD21 = -1.922(A), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9725e-20 1.L27 HD22 = -1.922(A), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9725e-20 1.L27 HD23 = -1.922(A), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9725e-20 1.Y68 HE1 = 5.836(S), Expected = 6.70, Std = 0.2300, ChiSquare = 1.7229e-04 1.Y68 HE2 = 5.836(S), Expected = 6.71, Std = 0.2300, ChiSquare = 1.4470e-04 1.L78 CD1 = 19.213(S), Expected = 24.72, Std = 1.5900, ChiSquare = 5.3315e-04