Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.384 CB :: 63.753 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.357 HB2 :: 3.776 HB3 :: 3.776 HG :: 8.436 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 :: 117.796 Ave N Shift Values>> N :: 116.28(3.52) 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.3 G 0.1 K 0.06 C Shift Assignments>> CA :: 53.850 CB :: 30.347 CD :: 43.331 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 :: 8.258 HA :: 4.576 HB2 :: 1.747 HB3 :: 1.624 HG2 :: 1.563 HG3 :: 1.563 HD2 :: 3.077 HD3 :: 3.077 HE :: 7.167 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.546 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.P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 3.498 HD3 :: 3.719 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.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.41 V 0.37 C 0.14 W 0.02 I 0.01 C Shift Assignments>> C :: 177.047 CA :: 63.221 CB :: 31.975 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 :: 4.356 HB2 :: 1.859 HB3 :: 2.241 HG2 :: 1.950 HG3 :: 1.950 HD2 :: 3.573 HD3 :: 3.724 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.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.708 CA :: 58.639 CB :: 63.849 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.385 HA :: 4.335 HB2 :: 3.821 HB3 :: 3.821 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 :: 116.108 Ave N Shift Values>> N :: 116.28(3.52) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.36 K 0.1 G 0.05 C Shift Assignments>> C :: 175.951 CA :: 55.931 CB :: 30.832 CG :: 27.596 CD :: 43.273 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 :: 8.347 HA :: 4.319 HB2 :: 1.757 HB3 :: 1.809 HG2 :: 1.570 HG3 :: 1.725 HD2 :: 3.122 HD3 :: 3.122 HE :: 7.228 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 :: 122.132 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.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.29 Q 0.11 K 0.1 M 0.08 I 0.02 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 175.809 CA :: 56.170 CB :: 29.908 CG :: 35.859 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 :: 8.336 HA :: 4.262 HB2 :: 1.832 HB3 :: 1.973 HG2 :: 2.190 HG3 :: 2.190 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.268 Ave N Shift Values>> N :: 120.67(3.48) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 174.325 CA :: 60.809 CB :: 39.233 CG1 :: 26.986 CG2 :: 17.017 CD1 :: 13.079 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 :: 7.920 HA :: 3.780 HB :: 1.368 HG12 :: 0.901 HG13 :: 1.316 HG21 :: 0.227 HG22 :: 0.227 HG23 :: 0.227 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 :: 123.984 Ave N Shift Values>> N :: 121.46(4.28) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.33 L 0.11 C 0.06 F 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 177.001 CA :: 51.991 CB :: 40.310 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 :: 8.072 HA :: 4.568 HB2 :: 2.458 HB3 :: 2.678 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 :: 124.228 Ave N Shift Values>> N :: 120.65(3.86) 1.Y10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 I 0.22 E 0.15 Y 0.1 V 0.06 F 0.05 M 0.02 K 0.02 C Shift Assignments>> C :: 175.901 CA :: 60.557 CB :: 36.166 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 :: 8.493 HA :: 4.128 HB2 :: 1.264(S) HB3 :: 2.104 HD1 :: 6.798 HD2 :: 6.798 HE1 :: 6.621 HE2 :: 6.621 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 :: 125.329 Ave N Shift Values>> N :: 120.52(4.2) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.170 CA :: 64.701 CB :: 68.924 CG2 :: 22.029 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 :: 7.948 HA :: 4.082 HB :: 4.242 HG21 :: 1.355 HG22 :: 1.355 HG23 :: 1.355 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 :: 108.533 Ave N Shift Values>> N :: 115.42(4.75) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.747 CA :: 52.499 CB :: 19.227 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.366 HA :: 4.023 HB1 :: 0.924 HB2 :: 0.924 HB3 :: 0.924 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.252 Ave N Shift Values>> N :: 123.23(3.54) 1.Y13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.3 C 0.24 Y 0.12 M 0.09 F 0.07 N 0.04 K 0.03 I 0.03 Q 0.01 C Shift Assignments>> C :: 176.545 CA :: 56.472 CB :: 36.559 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 :: 7.490 HA :: 4.252 HB2 :: 1.588(S) HB3 :: 1.588 HD1 :: 6.968 HD2 :: 6.968 HE1 :: 6.660 HE2 :: 6.660 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 :: 117.895 Ave N Shift Values>> N :: 120.52(4.2) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 173.638 CA :: 63.751 CB :: 31.244 CG :: 26.931 CD :: 50.540 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 :: 4.300 HB2 :: 1.919 HB3 :: 2.147 HG2 :: 1.413 HG3 :: 1.413 HD2 :: 3.753 HD3 :: 3.753 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.W15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.24 C 0.19 K 0.12 H 0.11 R 0.11 Q 0.08 W 0.06 E 0.02 P 0.02 C Shift Assignments>> C :: 175.471 CA :: 52.850 CB :: 32.436 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 :: 6.184 HA :: 4.706 HB2 :: 2.690 HB3 :: 3.685 HD1 :: 7.285 HE1 :: 9.587 HE3 :: 5.929(S) HZ3 :: 6.447 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 :: 109.940 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 I 0.2 C 0.15 L 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 174.684 CA :: 59.566 CB :: 39.968 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 :: 7.585 HA :: 5.101 HB2 :: 2.595 HB3 :: 3.141 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 7.388 HE2 :: 7.388 HZ :: 7.772 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.228 Ave N Shift Values>> N :: 120.45(4.18) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.21 C 0.08 C Shift Assignments>> C :: 177.161 CA :: 51.168 CB :: 21.968 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.004 HA :: 4.842 HB1 :: 1.157 HB2 :: 1.157 HB3 :: 1.157 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.573 Ave N Shift Values>> N :: 123.23(3.54) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.000 CA :: 46.490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.431 HA3 :: 3.796 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.17 E 0.05 M 0.05 Y 0.05 F 0.03 D 0.03 C Shift Assignments>> C :: 174.916 CA :: 52.605 CB :: 37.065 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 :: 8.657 HA :: 5.006 HB2 :: 2.720 HB3 :: 2.769 HD21 :: 7.433 HD22 :: 6.753 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 :: 124.182 ND2 :: 110.380 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.45 A 0.07 I 0.01 C Shift Assignments>> C :: 175.317 CA :: 56.274 CB :: 35.581 CG :: 31.425 CE :: 16.861 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 :: 7.158 HA :: 4.173 HB2 :: 1.450 HB3 :: 1.814 HG2 :: 2.341 HG3 :: 2.341 HE1 :: 1.859 HE2 :: 1.859 HE3 :: 1.859 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 :: 122.806 Ave N Shift Values>> N :: 120.09(3.57) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.16 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 178.105 CA :: 56.016 CB :: 30.890 CG :: 36.457 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 :: 8.687 HA :: 4.201 HB2 :: 1.971 HB3 :: 2.262 HG2 :: 2.348 HG3 :: 2.348 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 :: 124.655 Ave N Shift Values>> N :: 120.67(3.48) 1.R22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 R 0.28 K 0.12 G 0.03 C Shift Assignments>> C :: 177.559 CA :: 61.054 CB :: 29.868 CG :: 26.313 CD :: 42.694 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 :: 9.191 HA :: 3.280 HB2 :: 1.556 HB3 :: 1.692 HG2 :: 0.560(S) HG3 :: 1.022 HD2 :: 2.719 HD3 :: 2.789 HE :: 7.526 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 :: 125.764 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.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.2 K 0.18 R 0.11 I 0.03 E 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 178.252 CA :: 59.599 CB :: 27.765 CG :: 33.534 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 :: 9.085 HA :: 3.993 HB2 :: 1.972 HB3 :: 2.080 HG2 :: 2.316 HG3 :: 2.316 HE21 :: 7.482 HE22 :: 6.962 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 :: 118.109 NE2 :: 113.237 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.13 K 0.12 I 0.11 Q 0.11 R 0.1 E 0.1 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 178.328 CA :: 58.765 CB :: 28.232 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.287 HA :: 4.051 HB2 :: 1.953 HB3 :: 2.092 HG2 :: 2.446 HG3 :: 2.446 HE21 :: 7.495 HE22 :: 6.940 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 :: 118.128 NE2 :: 111.793 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T25 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>> CA :: 67.504 CB :: 67.667 CG2 :: 22.953 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 :: 7.813 HA :: 3.641 HB :: 4.259 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 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 :: 116.436 Ave N Shift Values>> N :: 115.42(4.75) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.1 L 0.06 D 0.06 N 0.01 K 0.01 C Shift Assignments>> C :: 178.426 CA :: 58.020 CB :: 39.826 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 :: 8.384 HA :: 4.228 HB2 :: 2.549 HB3 :: 2.758 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 :: 123.084 Ave N Shift Values>> N :: 120.65(3.86) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 N 0.18 C 0.18 F 0.17 D 0.08 E 0.06 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 177.207 CA :: 55.747 CB :: 38.197 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 :: 7.667 HA :: 4.319 HB2 :: 2.789 HB3 :: 2.789 HD21 :: 7.614 HD22 :: 7.009 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 :: 116.068 ND2 :: 112.531 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.37 R 0.07 G 0.02 C Shift Assignments>> C :: 179.394 CA :: 57.821 CB :: 42.692 CG :: 27.088 CD1 :: 25.288 CD2 :: 24.626 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 :: 7.993 HA :: 4.169 HB2 :: 1.535 HB3 :: 1.723 HG :: 1.639 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 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 :: 120.906 Ave N Shift Values>> N :: 121.86(3.9) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 G 0.04 A 0.02 C Shift Assignments>> C :: 178.742 CA :: 56.437 CB :: 42.842 CG :: 26.339 CD1 :: 22.783 CD2 :: 22.783 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 :: 8.166 HA :: 4.051 HB2 :: 1.198 HB3 :: 1.198 HG :: 1.559 HD11 :: 0.508 HD12 :: 0.508 HD13 :: 0.508 HD21 :: 0.448 HD22 :: 0.448 HD23 :: 0.448 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 :: 114.941 Ave N Shift Values>> N :: 121.86(3.9) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.43 R 0.06 C Shift Assignments>> C :: 177.260 CA :: 60.478 CB :: 32.084 CG :: 24.489 CD :: 29.104 CE :: 41.962 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 :: 7.635 HA :: 3.713 HB2 :: 1.861 HB3 :: 2.016 HG2 :: 1.453 HG3 :: 1.453 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.931 HE3 :: 2.931 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 :: 118.446 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.495 CA :: 58.387 CB :: 63.281 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.709 HA :: 4.417 HB2 :: 3.726 HB3 :: 3.848 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 :: 111.039 Ave N Shift Values>> N :: 116.28(3.52) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.14 C 0.14 R 0.14 H 0.13 W 0.09 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 173.913 CA :: 56.076 CB :: 31.853 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 :: 7.647 HA :: 4.576 HB2 :: 3.009 HB3 :: 3.562 HD2 :: 7.521 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 :: 120.253 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.02 C 0.02 L 0.02 C Shift Assignments>> C :: 179.503 CA :: 51.718 CB :: 20.269 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.452 HA :: 4.278 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 :: 120.403 Ave N Shift Values>> N :: 123.23(3.54) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.307 CA :: 60.434 CB :: 63.132 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.002 HA :: 4.047 HB2 :: 3.979 HB3 :: 3.979 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 :: 117.464 Ave N Shift Values>> N :: 116.28(3.52) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.739 CA :: 44.850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.873 HA2 :: 3.654 HA3 :: 4.615 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.364 Ave N Shift Values>> N :: 109.67(3.87) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.253 CA :: 63.429 CB :: 68.091 CG2 :: 21.041 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 :: 8.240 HA :: 5.923 HB :: 4.023 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 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 :: 120.932 Ave N Shift Values>> N :: 115.42(4.75) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.25 R 0.21 D 0.06 C 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 171.737 CA :: 55.235 CB :: 44.289 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 :: 8.765 HA :: 5.976 HB2 :: 2.643 HB3 :: 2.745 HD1 :: 7.271 HD2 :: 7.271 HE1 :: 7.079 HE2 :: 7.079 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 :: 123.567 Ave N Shift Values>> N :: 120.52(4.2) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.29 L 0.11 A 0.02 C Shift Assignments>> C :: 174.368 CA :: 53.832 CB :: 46.294 CG :: 25.045 CD1 :: 26.716 CD2 :: 24.159 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 :: 9.008 HA :: 5.103 HB2 :: 1.310 HB3 :: 1.666 HG :: 1.488 HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 HD21 :: 0.138 HD22 :: 0.138 HD23 :: 0.138 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 :: 115.294 Ave N Shift Values>> N :: 121.86(3.9) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.11 M 0.01 C Shift Assignments>> C :: 173.625 CA :: 59.806 CB :: 38.766 CG1 :: 31.104 CG2 :: 20.290 CD1 :: 14.210 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 :: 9.276 HA :: 5.293 HB :: 2.284 HG12 :: 1.292 HG13 :: 1.370 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.087 Ave N Shift Values>> N :: 121.46(4.28) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.28 R 0.21 K 0.1 C Shift Assignments>> C :: 173.789 CA :: 52.171 CB :: 33.426 CD :: 43.337 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 :: 9.032 HA :: 5.144 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.384 HG3 :: 1.384 HD2 :: 3.134 HD3 :: 3.134 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.307 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.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.17 C 0.16 Q 0.14 R 0.09 H 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 175.788 CA :: 54.839 CB :: 32.923 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 :: 8.453 HA :: 4.991 HB2 :: 1.877 HB3 :: 1.877 HG2 :: 1.995 HG3 :: 1.995 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.502 Ave N Shift Values>> N :: 120.67(3.48) 1.R42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.844 HA :: 4.654 HB2 :: 1.854 HB3 :: 1.984 HG2 :: 1.320 HG3 :: 1.593 HD2 :: 3.12 HD3 :: 3.10 HE :: 7.528 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 :: 125.039 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.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.485 CA :: 64.030 CB :: 31.450 CG :: 26.545 CD :: 50.074 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 :: 4.215 HB2 :: 1.896 HB3 :: 2.132 HG2 :: 1.827 HG3 :: 1.827 HD2 :: 3.583 HD3 :: 3.460 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.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.01 C Shift Assignments>> C :: 176.924 CA :: 52.068 CB :: 19.427 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.217 HA :: 4.243 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.718 Ave N Shift Values>> N :: 123.23(3.54) 1.E45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.308 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 :: 7.638 HA :: 4.305 HB2 :: 1.784 HB3 :: 1.784 HG2 :: 2.066 HG3 :: 2.066 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 :: 118.107 Ave N Shift Values>> N :: 120.67(3.48) 1.A46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 178.439 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.596 HA :: 4.135 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.161 Ave N Shift Values>> N :: 123.23(3.54) 1.E47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 175.340 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 :: 7.642 HA :: 4.646 HG2 :: 2.136 HG3 :: 2.136 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.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 175.645 CD :: 43.288 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 :: 8.163 HA :: 4.640 HB2 :: 1.276 HB3 :: 1.276 HG2 :: 0.817 HG3 :: 0.817 HD2 :: 2.907 HD3 :: 2.907 HE :: 7.528 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 :: 122.871 NE :: 85.786 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.F49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.536 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 :: 8.370 HA :: 5.784 HB2 :: 2.037 HB3 :: 2.893 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 7.266 HE2 :: 7.266 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.719 Ave N Shift Values>> N :: 120.45(4.18) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 L 0.18 C 0.08 C Shift Assignments>> C :: 175.964 CA :: 51.013 CB :: 21.880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.868 HA :: 5.120 HB1 :: 1.074 HB2 :: 1.074 HB3 :: 1.074 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.650 Ave N Shift Values>> N :: 123.23(3.54) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.H72 1.H72 C Shift Assignments>> C :: 175.049 CA :: 60.499 CB :: 39.996 CG1 :: 27.154 CG2 :: 16.905 CD1 :: 14.285 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 :: 9.130 HA :: 4.647 HB :: 1.488 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 HD11 :: 0.440 HD12 :: 0.440 HD13 :: 0.440 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 :: 121.077 Ave N Shift Values>> N :: 121.46(4.28) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.024 CA :: 57.614 CB :: 64.989 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.204 HA :: 5.454 HB2 :: 3.204 HB3 :: 3.204 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 :: 125.122 Ave N Shift Values>> N :: 116.28(3.52) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 G 0.06 I 0.06 A 0.03 C Shift Assignments>> C :: 173.093 CA :: 57.633 CB :: 42.823 CG1 :: 27.954 CG2 :: 16.369 CD1 :: 16.517 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 :: 8.825 HA :: 5.139 HB :: 1.246 HG12 :: 0.745 HG13 :: 0.745 HG21 :: 0.554 HG22 :: 0.554 HG23 :: 0.554 HD11 :: 0.589 HD12 :: 0.589 HD13 :: 0.589 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 :: 121.512 Ave N Shift Values>> N :: 121.46(4.28) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.32 R 0.3 G 0.03 C Shift Assignments>> C :: 174.850 CA :: 54.245 CB :: 33.334 CD :: 27.926 CE :: 42.767 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 :: 8.863 HA :: 4.755 HB2 :: 1.399 HB3 :: 2.286 HG2 :: 0.949 HG3 :: 1.647 HD2 :: 1.484 HD3 :: 1.638 HE2 :: 2.996 HE3 :: 2.996 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.814 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.21 Y 0.16 L 0.13 C 0.09 D 0.06 R 0.05 I 0.04 C Shift Assignments>> C :: 174.223 CA :: 58.149 CB :: 41.602 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.373 HA :: 4.868 HB2 :: 2.499 HB3 :: 2.780 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 7.328 HE2 :: 7.328 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 130.119 Ave N Shift Values>> N :: 120.45(4.18) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 C 0.24 M 0.16 N 0.09 K 0.06 Y 0.06 Q 0.04 F 0.03 C Shift Assignments>> C :: 173.945 CA :: 55.006 CB :: 35.962 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 :: 8.364 HA :: 3.898 HB2 :: 2.484 HB3 :: 2.722 HD21 :: 7.204 HD22 :: 6.531 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 :: 125.766 ND2 :: 113.270 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.14 Y 0.11 N 0.11 C 0.07 K 0.05 C Shift Assignments>> C :: 174.766 CA :: 55.045 CB :: 40.577 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 :: 8.536 HA :: 4.551 HB2 :: 2.656 HB3 :: 2.812 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 :: 117.708 Ave N Shift Values>> N :: 120.65(3.86) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.21 E 0.07 Q 0.01 HN Overlap>> 1.Q90 1.Q90 C Shift Assignments>> C :: 173.786 CA :: 54.942 CB :: 34.163 CG :: 35.790 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 :: 7.873 HA :: 4.665 HB2 :: 1.952 HB3 :: 1.952 HG2 :: 2.191 HG3 :: 2.191 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 :: 118.715 Ave N Shift Values>> N :: 120.67(3.48) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.325 CA :: 61.939 CB :: 32.017 CG1 :: 22.575 CG2 :: 22.575 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 :: 8.473 HA :: 4.373 HB :: 1.922 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.356 HG22 :: 0.356 HG23 :: 0.356 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 :: 120.798 Ave N Shift Values>> N :: 121.14(4.54) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.3 R 0.17 A 0.02 G 0.01 C Shift Assignments>> C :: 174.439 CA :: 52.809 CB :: 33.105 CG :: 24.185 CD :: 27.790 CE :: 41.944 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 :: 8.903 HA :: 4.431 HB2 :: 1.505 HB3 :: 1.505 HG2 :: 1.237 HG3 :: 1.337 HD2 :: 1.591 HD3 :: 1.495 HE2 :: 2.842 HE3 :: 2.842 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 :: 127.136 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.17 C 0.15 Q 0.14 R 0.09 H 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 175.173 CA :: 55.160 CB :: 32.882 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 :: 8.422 HA :: 5.223 HB2 :: 2.480 HB3 :: 2.786 HD2 :: 6.972 HE1 :: 7.351 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 :: 119.956 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.372 CA :: 59.976 CB :: 41.028 CG1 :: 26.455 CG2 :: 18.476 CD1 :: 13.936 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 :: 9.646 HA :: 4.136 HB :: 1.515 HG12 :: 0.438 HG13 :: 0.949 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 HD11 :: 0.119 HD12 :: 0.119 HD13 :: 0.119 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 :: 126.629 Ave N Shift Values>> N :: 121.46(4.28) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.13 Q 0.09 C Shift Assignments>> C :: 174.877 CA :: 57.540 CB :: 33.049 CG :: 25.711 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 :: 8.741 HA :: 4.227 HB2 :: 1.580 HB3 :: 1.758 HG2 :: 1.518 HG3 :: 1.276 HD2 :: 0.946 HD3 :: 0.946 HE2 :: 2.880 HE3 :: 2.880 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 :: 127.276 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.17 W 0.14 I 0.12 P 0.09 E 0.05 R 0.05 H 0.04 Q 0.02 K 0.02 M 0.01 C Shift Assignments>> C :: 174.522 CA :: 61.495 CB :: 30.392 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 :: 8.166 HA :: 4.173 HB :: 1.543 HG11 :: 0.726 HG12 :: 0.726 HG13 :: 0.726 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 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 :: 123.343 Ave N Shift Values>> N :: 121.14(4.54) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.212 CA :: 61.751 CB :: 33.279 CG1 :: 21.698 CG2 :: 21.698 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 :: 8.469 HA :: 4.146 HB :: 1.108 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.755 HG22 :: 0.755 HG23 :: 0.755 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 :: 127.934 Ave N Shift Values>> N :: 121.14(4.54) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.28 E 0.22 C Shift Assignments>> C :: 175.573 CA :: 54.557 CB :: 32.441 CG :: 36.786 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 :: 8.518 HA :: 5.156 HB2 :: 1.871 HB3 :: 2.086 HG2 :: 2.076 HG3 :: 2.158 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.632 Ave N Shift Values>> N :: 120.67(3.48) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.43 R 0.05 C Shift Assignments>> C :: 175.624 CA :: 56.254 CB :: 35.041 CG :: 24.562 CD :: 28.945 CE :: 41.947 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 :: 8.671 HA :: 4.452 HB2 :: 1.803 HB3 :: 1.695 HG2 :: 1.359 HG3 :: 1.359 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 2.936 HE3 :: 2.936 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 :: 125.857 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.22 D 0.16 C 0.12 N 0.12 L 0.09 I 0.03 C Shift Assignments>> C :: 174.291 CA :: 56.022 CB :: 39.391 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 :: 9.485 HA :: 4.191 HB2 :: 2.898 HB3 :: 2.898 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 :: 127.302 Ave N Shift Values>> N :: 120.65(3.86) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.19 E 0.13 Y 0.12 F 0.09 M 0.06 D 0.04 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 173.825 CA :: 54.672 CB :: 37.344 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 :: 8.344 HA :: 4.223 HB2 :: 2.404 HB3 :: 2.578 HD21 :: 7.221 HD22 :: 6.678 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 :: 110.250 ND2 :: 113.027 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.19 Q 0.18 C 0.17 R 0.07 H 0.06 W 0.04 E 0.02 V 0.02 C Shift Assignments>> C :: 174.989 CA :: 56.712 CB :: 33.343 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 :: 8.050 HA :: 5.316 HB2 :: 3.197 HB3 :: 3.413 HD1 :: 7.229 HE1 :: 10.062 HE3 :: 7.494 HZ2 :: 7.326 HZ3 :: 7.014 HH2 :: 7.057 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 :: 119.098 NE1 :: 129.651 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.49 C Shift Assignments>> C :: 175.265 CA :: 58.794 CB :: 41.091 CG1 :: 28.060 CG2 :: 17.166 CD1 :: 13.676 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 :: 9.298 HA :: 5.512 HB :: 1.633 HG12 :: 0.982 HG13 :: 1.382 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 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 :: 121.706 Ave N Shift Values>> N :: 121.46(4.28) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 M 0.17 C 0.16 R 0.11 H 0.1 Q 0.09 W 0.07 E 0.06 V 0.02 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 173.774 CA :: 56.519 CB :: 32.509 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 :: 9.024 HA :: 5.151 HB2 :: 3.414 HB3 :: 3.518 HD2 :: 6.335 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 :: 121.063 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 62.302 CB :: 39.387 CG1 :: 26.596 CG2 :: 19.428 CD1 :: 14.006 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 :: 9.425 HA :: 4.896 HB :: 2.022 HG12 :: 1.494 HG13 :: 1.494 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 HD11 :: 0.263 HD12 :: 0.263 HD13 :: 0.263 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 :: 112.363 Ave N Shift Values>> N :: 121.46(4.28) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 173.467 CA :: 59.795 CB :: 69.896 CG2 :: 21.060 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 HA :: 4.679 HB :: 4.166 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 117.292 Ave N Shift Values>> N :: 115.42(4.75) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.16 K 0.08 Q 0.03 C Shift Assignments>> C :: 175.819 CA :: 58.898 CB :: 28.991 CG :: 36.292 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 :: 8.615 HA :: 2.974 HB2 :: 1.724 HB3 :: 1.724 HG2 :: 1.938 HG3 :: 2.031 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.689 Ave N Shift Values>> N :: 120.67(3.48) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.09 C 0.03 L 0.02 C Shift Assignments>> C :: 177.024 CA :: 53.262 CB :: 19.797 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.654 HA :: 3.912 HB1 :: 1.188 HB2 :: 1.188 HB3 :: 1.188 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.705 Ave N Shift Values>> N :: 123.23(3.54) 1.K77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.46 C 0.37 R 0.14 A 0.01 C Shift Assignments>> C :: 172.048 CA :: 54.373 CB :: 33.343 CG :: 23.888 CD :: 27.741 CE :: 41.686 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 :: 7.214 HA :: 4.091 HB2 :: 1.243 HB3 :: 1.401 HG2 :: 0.722 HG3 :: 0.633 HD2 :: 1.117 HD3 :: 1.117 HE2 :: 2.228(S) HE3 :: 2.228(S) 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 :: 119.239 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.51 C 0.45 A 0.01 R 0.01 C Shift Assignments>> C :: 174.901 CA :: 54.703 CB :: 35.093 CG :: 23.976 CD :: 28.663 CE :: 41.413 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 :: 7.850 HA :: 4.737 HB2 :: 1.252 HB3 :: 1.252 HG2 :: 0.712 HG3 :: 0.712 HD2 :: 0.638(S) HD3 :: 0.863(S) HE2 :: 1.990(S) HE3 :: 1.990(S) 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 :: 123.194 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.25 F 0.08 C 0.06 G 0.06 K 0.05 D 0.05 Y 0.05 C Shift Assignments>> C :: 175.500 CA :: 56.913 CB :: 43.468 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.079 HA :: 4.926 HB2 :: 2.763 HB3 :: 3.281 HD1 :: 7.239 HD2 :: 7.239 HE1 :: 6.949 HE2 :: 6.949 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 :: 117.645 Ave N Shift Values>> N :: 120.45(4.18) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.2 D 0.19 F 0.11 Y 0.08 R 0.05 C 0.05 N 0.02 C Shift Assignments>> C :: 176.014 CA :: 55.645 CB :: 41.720 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 :: 9.332 HA :: 4.717 HB2 :: 2.619 HB3 :: 2.817 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 :: 119.264 Ave N Shift Values>> N :: 120.65(3.86) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 173.719 CA :: 57.148 CB :: 66.475 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.379 HA :: 4.649 HB2 :: 3.995 HB3 :: 4.087 HG :: 5.331 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 :: 108.541 Ave N Shift Values>> N :: 116.28(3.52) 1.L82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 L 0.49 C Shift Assignments>> C :: 177.267 CA :: 57.834 CB :: 40.583 CG :: 25.974 CD1 :: 23.412 CD2 :: 22.430 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 :: 8.939 HA :: 3.756 HB2 :: 0.961 HB3 :: 1.413 HG :: 0.941 HD11 :: 0.226 HD12 :: 0.226 HD13 :: 0.226 HD21 :: -0.442(S) HD22 :: -0.442(S) HD23 :: -0.442(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 :: 122.926 Ave N Shift Values>> N :: 121.86(3.9) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 177.528 CA :: 58.139 CB :: 41.677 CG :: 26.871 CD1 :: 24.422 CD2 :: 24.422 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 :: 7.814 HA :: 3.775 HB2 :: 1.684 HB3 :: 1.574 HG :: 1.555 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 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 :: 116.722 Ave N Shift Values>> N :: 121.86(3.9) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.32 I 0.14 M 0.03 K 0.01 C Shift Assignments>> C :: 178.282 CA :: 59.139 CB :: 30.433 CG :: 37.273 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 :: 7.541 HA :: 3.867 HB2 :: 2.084 HB3 :: 2.244 HG2 :: 2.369 HG3 :: 2.369 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.747 Ave N Shift Values>> N :: 120.67(3.48) 1.L85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.49 C 0.43 R 0.03 L 0.03 C Shift Assignments>> C :: 177.315 CA :: 58.739 CB :: 41.715 CD1 :: 28.840 CD2 :: 24.728 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 :: 7.076 HA :: 1.963(S) HB2 :: 1.120 HB3 :: 1.633 HG :: 1.448 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.534 HD22 :: 0.534 HD23 :: 0.534 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.157 Ave N Shift Values>> N :: 121.86(3.9) 1.V86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.621 CA :: 66.844 CB :: 30.965 CG1 :: 22.660 CG2 :: 19.944 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 :: 8.116 HA :: 2.790 HB :: 1.353 HG11 :: -0.113(S) HG12 :: -0.113(S) HG13 :: -0.113(S) HG21 :: -0.232(S) HG22 :: -0.232(S) HG23 :: -0.232(S) 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 :: 119.754 Ave N Shift Values>> N :: 121.14(4.54) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.23 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.560 CA :: 59.322 CB :: 29.086 CG :: 36.728 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 :: 8.168 HA :: 3.715 HB2 :: 1.837 HB3 :: 1.942 HG2 :: 2.081 HG3 :: 2.511 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.169 Ave N Shift Values>> N :: 120.67(3.48) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.15 Y 0.12 F 0.11 C Shift Assignments>> C :: 180.010 CA :: 62.594 CB :: 38.828 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 :: 7.774 HA :: 4.093 HB2 :: 2.538 HB3 :: 2.799 HD1 :: 6.864 HD2 :: 6.864 HE1 :: 6.121 HE2 :: 6.121 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 :: 120.022 Ave N Shift Values>> N :: 120.52(4.2) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.27 Y 0.13 F 0.08 E 0.07 V 0.03 C Shift Assignments>> C :: 175.796 CA :: 61.137 CB :: 36.930 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 :: 7.782 HA :: 5.055 HB2 :: 2.371 HB3 :: 3.257 HD1 :: 7.169 HD2 :: 7.169 HE1 :: 6.835 HE2 :: 6.835 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 :: 118.480 Ave N Shift Values>> N :: 120.52(4.2) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.27 Q 0.25 R 0.1 M 0.04 E 0.02 HN Overlap>> 1.E58 1.E58 C Shift Assignments>> C :: 177.777 CA :: 57.717 CB :: 28.520 CG :: 33.153 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.838 HA :: 4.389 HB2 :: 1.906 HB3 :: 2.298 HG2 :: 2.528 HG3 :: 2.677 HE21 :: 7.039 HE22 :: 6.537 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 :: 118.696 NE2 :: 108.691 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 W 0.14 Q 0.14 E 0.13 C 0.12 H 0.12 R 0.1 M 0.03 I 0.02 C Shift Assignments>> C :: 172.887 CA :: 57.434 CB :: 29.266 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.145 HA :: 4.602 HB2 :: 2.645 HB3 :: 2.645 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 :: 111.118 Ave N Shift Values>> N :: 120.17(4.64) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.13 R 0.12 W 0.12 C 0.11 E 0.11 M 0.05 L 0.01 C Shift Assignments>> C :: 171.842 CA :: 55.077 CB :: 29.376 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 :: 7.470 HA :: 4.332 HB2 :: 1.999 HB3 :: 2.851 HD2 :: 6.847 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 :: 120.227 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.653 CA :: 57.812 CB :: 62.783 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.404 HA :: 3.782 HB2 :: 3.615 HB3 :: 3.921 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 :: 113.120 Ave N Shift Values>> N :: 116.28(3.52) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.35 R 0.21 G 0.01 C Shift Assignments>> C :: 177.524 CA :: 57.396 CB :: 42.487 CG :: 28.417 CD1 :: 25.613 CD2 :: 24.074 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 :: 8.553 HA :: 4.069 HB2 :: 2.216 HB3 :: 2.216 HG :: 1.551 HD11 :: 0.495 HD12 :: 0.495 HD13 :: 0.495 HD21 :: 0.193 HD22 :: 0.193 HD23 :: 0.193 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.293 Ave N Shift Values>> N :: 121.86(3.9) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 176.426 CA :: 57.554 CB :: 32.174 CG :: 24.315 CD :: 29.351 CE :: 42.084 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 :: 8.303 HA :: 4.328 HB2 :: 1.375 HB3 :: 1.716 HG2 :: 1.235 HG3 :: 1.235 HD2 :: 1.431 HD3 :: 1.431 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 :: 122.249 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 Q 0.2 K 0.18 M 0.04 I 0.03 C Shift Assignments>> C :: 176.838 CA :: 58.097 CB :: 29.500 CG :: 34.912 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 :: 7.188 HA :: 4.085 HB2 :: 2.143 HB3 :: 2.143 HG2 :: 2.369 HG3 :: 2.501 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 :: 115.401 Ave N Shift Values>> N :: 120.67(3.48) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 172.067 CA :: 59.448 CB :: 65.680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.838 HA :: 4.402 HB2 :: 3.317 HB3 :: 3.317 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 :: 113.852 Ave N Shift Values>> N :: 116.28(3.52) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.15 L 0.13 C 0.1 N 0.04 K 0.04 I 0.03 C Shift Assignments>> C :: 174.941 CA :: 56.748 CB :: 40.281 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 :: 8.223 HA :: 4.570 HB2 :: 2.631 HB3 :: 2.909 HD1 :: 7.171 HD2 :: 7.171 HE1 :: 7.159 HE2 :: 7.159 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 :: 121.742 Ave N Shift Values>> N :: 120.45(4.18) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 176.793 CA :: 59.157 CB :: 32.333 CG :: 24.594 CD :: 28.785 CE :: 41.902 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 :: 8.388 HA :: 4.071 HB2 :: 1.732 HB3 :: 1.732 HG2 :: 1.381 HG3 :: 1.381 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 2.917 HE3 :: 2.917 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 :: 122.713 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.27 K 0.23 R 0.09 E 0.06 M 0.01 I 0.01 C Shift Assignments>> C :: 175.591 CA :: 56.469 CB :: 27.987 CG :: 34.032 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 :: 8.662 HA :: 4.161 HB2 :: 1.988 HB3 :: 2.234 HG2 :: 2.341 HG3 :: 2.341 HE21 :: 7.599 HE22 :: 6.922 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.972 NE2 :: 112.168 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 C 0.14 A 0.01 C Shift Assignments>> C :: 173.228 CA :: 52.325 CB :: 41.512 CG :: 26.144 CD1 :: 25.522 CD2 :: 24.454 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 :: 7.884 HA :: 3.679 HB2 :: 1.055 HB3 :: 1.429 HG :: 1.204 HD11 :: 0.303 HD12 :: 0.303 HD13 :: 0.303 HD21 :: 0.205 HD22 :: 0.205 HD23 :: 0.205 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 :: 124.472 Ave N Shift Values>> N :: 121.86(3.9) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.04 C Shift Assignments>> C :: 173.467 CA :: 52.125 CB :: 39.028 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 :: 6.594 HA :: 4.485 HB2 :: 2.232 HB3 :: 2.967 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 :: 119.321 Ave N Shift Values>> N :: 120.65(3.86) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.28 C Shift Assignments>> C :: 172.158 CA :: 60.197 CB :: 69.046 CG2 :: 19.339 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 :: 7.637 HA :: 4.643 HB :: 3.956 HG21 :: 0.550 HG22 :: 0.550 HG23 :: 0.550 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 :: 117.213 Ave N Shift Values>> N :: 115.42(4.75) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.698 CA :: 60.808 CB :: 70.636 CG2 :: 21.479 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 :: 7.284 HA :: 4.569 HB :: 3.984 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.193 Ave N Shift Values>> N :: 115.42(4.75) 1.L105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 A 0.21 V 0.01 C Shift Assignments>> C :: 174.348 CA :: 53.982 CB :: 35.683(S) CG :: 24.954 CD1 :: 22.812 CD2 :: 22.812 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 :: 8.093 HA :: 3.463 HB2 :: 0.837 HB3 :: 0.837 HG :: 1.049 HD11 :: 0.333 HD12 :: 0.333 HD13 :: 0.333 HD21 :: 0.071 HD22 :: 0.071 HD23 :: 0.071 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.473 Ave N Shift Values>> N :: 121.86(3.9) 1.K106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 K 0.4 R 0.03 C Shift Assignments>> C :: 176.734 CA :: 59.696 CB :: 35.167 CG :: 24.531 CD :: 29.237 CE :: 41.926 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 :: 7.118 HA :: 3.958 HB2 :: 0.955(S) HB3 :: 1.265 HG2 :: 0.341(S) HG3 :: 0.801 HD2 :: 1.376 HD3 :: 1.376 HE2 :: 2.797 HE3 :: 2.797 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 :: 127.491 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.33 L 0.13 F 0.06 C 0.06 Y 0.04 K 0.01 C Shift Assignments>> C :: 172.048 CA :: 52.519 CB :: 40.376 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 :: 7.848 HA :: 5.464 HB2 :: 3.004 HB3 :: 3.004 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 6.865 HE2 :: 6.865 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 :: 115.804 Ave N Shift Values>> N :: 120.52(4.2) 1.P108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 180.469 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.626 HB2 :: 1.859 HB3 :: 1.859 HD2 :: 3.906 HD3 :: 4.247 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.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.23 Y 0.17 F 0.12 E 0.04 C Shift Assignments>> C :: 174.575 CA :: 60.986 CB :: 37.626 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 :: 8.306 HA :: 3.784 HB2 :: 2.407 HB3 :: 2.628 HD1 :: 6.840 HD2 :: 6.840 HE1 :: 6.430 HE2 :: 6.430 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 :: 122.791 Ave N Shift Values>> N :: 120.52(4.2) 1.K110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.12 C Shift Assignments>> C :: 176.259 CA :: 56.595 CB :: 32.605 CG :: 24.609 CD :: 29.061 CE :: 42.035 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 :: 6.785 HA :: 3.903 HB2 :: 1.437 HB3 :: 1.437 HG2 :: 0.419(S) HG3 :: 0.705 HD2 :: 1.403 HD3 :: 1.403 HE2 :: 2.831 HE3 :: 2.831 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 :: 118.817 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.092 CA :: 58.647 CB :: 63.883 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.765 HA :: 4.317 HB2 :: 3.851 HB3 :: 3.851 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 :: 114.539 Ave N Shift Values>> N :: 116.28(3.52) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.36 K 0.08 G 0.03 C Shift Assignments>> C :: 175.130 CA :: 55.664 CB :: 30.880 CG :: 27.006 CD :: 42.936 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 :: 8.082 HA :: 4.322 HB2 :: 1.650 HB3 :: 1.877 HG2 :: 1.524 HG3 :: 1.524 HD2 :: 3.030 HD3 :: 3.030 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 :: 122.458 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.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.39 M 0.1 I 0.04 K 0.01 Q 0.01 C Shift Assignments>> C :: 181.010 CA :: 58.081 CB :: 30.907 CG :: 36.716 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 :: 7.915 HA :: 4.017 HB2 :: 1.794 HB3 :: 1.953 HG2 :: 2.126 HG3 :: 2.126 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.831 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 12 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 0 C Shift Results: #Consistent: 430 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 798 #Duplicate: 0 #Unknown: 0 #Suspicious: 23 #Anomalous: 0 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y10 HB2 = 1.264(S), Expected = 2.91, Std = 0.3700, ChiSquare = 8.6412e-06 1.Y13 HB2 = 1.588(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.5295e-04 1.W15 HE3 = 5.929(S), Expected = 7.31, Std = 0.4100, ChiSquare = 7.5635e-04 1.R22 HG2 = 0.560(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.8348e-04 1.K77 HE2 = 2.228(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.7042e-04 1.K77 HE3 = 2.228(S), Expected = 2.91, Std = 0.2000, ChiSquare = 6.4963e-04 1.K78 HD2 = 0.638(S), Expected = 1.61, Std = 0.2200, ChiSquare = 9.9535e-06 1.K78 HD3 = 0.863(S), Expected = 1.60, Std = 0.2200, ChiSquare = 8.0812e-04 1.K78 HE2 = 1.990(S), Expected = 2.92, Std = 0.1900, ChiSquare = 9.8437e-07 1.K78 HE3 = 1.990(S), Expected = 2.91, Std = 0.2000, ChiSquare = 4.2249e-06 1.L82 HD21 = -0.442(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3138e-05 1.L82 HD22 = -0.442(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3138e-05 1.L82 HD23 = -0.442(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.3138e-05 1.L85 HA = 1.963(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3063e-07 1.V86 HG11 = -0.113(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8682e-04 1.V86 HG12 = -0.113(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8682e-04 1.V86 HG13 = -0.113(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8682e-04 1.V86 HG21 = -0.232(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2806e-04 1.V86 HG22 = -0.232(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2806e-04 1.V86 HG23 = -0.232(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2806e-04 1.L105 CB = 35.683(S), Expected = 42.31, Std = 1.8800, ChiSquare = 4.2348e-04 1.K106 HB2 = 0.955(S), Expected = 1.78, Std = 0.2500, ChiSquare = 9.6685e-04 1.K106 HG2 = 0.341(S), Expected = 1.37, Std = 0.2600, ChiSquare = 7.5677e-05 1.K110 HG2 = 0.419(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.5450e-04