Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.085 CA :: 63.147 CB :: 32.368 CG :: 27.181 CD :: 49.672 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 :: 4.473 HB2 :: 2.320 HB3 :: 1.945 HG2 :: 2.015 HG3 :: 2.015 HD2 :: 3.584 HD3 :: 3.584 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 177.997 CA :: 55.512 CB :: 42.216 CG :: 27.010 CD1 :: 23.439 CD2 :: 24.848 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 :: 8.567 HA :: 4.352 HB2 :: 1.679 HB3 :: 1.619 HG :: 1.659 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 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 :: 122.338 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.175 CA :: 45.335 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.431 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.085 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S123 1.S123 C Shift Assignments>> C :: 174.486 CA :: 58.290 CB :: 64.048 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.246 HA :: 4.507 HB2 :: 3.861 HB3 :: 3.861 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 :: 115.538 Ave N Shift Values>> N :: 116.28(3.52) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.282 CA :: 44.564 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.315 HA2 :: 4.091 HA3 :: 4.091 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.766 Ave N Shift Values>> N :: 109.67(3.87) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.43 K 0.32 E 0.08 R 0.05 P 0.04 I 0.04 M 0.01 C Shift Assignments>> CB :: 34.176 CG :: 28.309 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>> HB2 :: 2.646 HB3 :: 2.470 HG2 :: 2.269 HG3 :: 2.143 HD2 :: 3.709 HD3 :: 3.496 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.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F11 1.K100 1.F11 1.K100 C Shift Assignments>> C :: 173.701 CA :: 57.993 CB :: 65.069 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.998 HA :: 4.633 HB2 :: 3.623 HB3 :: 3.623 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 :: 121.174 Ave N Shift Values>> N :: 116.28(3.52) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.12 K 0.11 R 0.1 V 0.1 E 0.08 H 0.08 M 0.08 Q 0.03 C Shift Assignments>> C :: 177.595 CA :: 59.220 CB :: 31.834 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.982 HA :: 4.446 HB2 :: 3.352 HB3 :: 3.352 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.602 Ave N Shift Values>> N :: 120.17(4.64) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.4 K 0.1 G 0.06 L 0.02 C Shift Assignments>> C :: 176.341 CA :: 57.726 CB :: 29.753 CG :: 26.282 CD :: 43.391 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 :: 9.275 HA :: 3.996 HB2 :: 1.572 HB3 :: 1.572 HG2 :: 1.333 HG3 :: 1.333 HD2 :: 2.925 HD3 :: 2.925 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 :: 129.046 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.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.36 C 0.19 HN Overlap>> 1.S8 1.S8 1.K100 1.K100 C Shift Assignments>> C :: 176.392 CA :: 60.865 CB :: 39.515 CD1 :: 131.472 CD2 :: 131.472 CE1 :: 131.773 CE2 :: 131.773 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 :: 8.967 HA :: 4.348 HB2 :: 3.196 HB3 :: 3.017 HD1 :: 7.240 HD2 :: 7.240 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 :: 121.153 Ave N Shift Values>> N :: 120.45(4.18) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.11 E 0.09 F 0.09 Y 0.09 C 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 V 0.01 HN Overlap>> 1.E120 1.E120 1.C23 1.R121 1.C23 1.R121 C Shift Assignments>> CA :: 57.655 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.232 HA :: 4.505 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 :: 121.928 Ave N Shift Values>> N :: 120.17(4.64) 1.K13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.43 R 0.3 K 0.09 L 0.09 I 0.05 G 0.01 C Shift Assignments>> C :: 174.969 CA :: 57.628 CB :: 29.008 CE :: 42.300 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 :: 7.517 HA :: 3.979 HB2 :: 2.023 HB3 :: 1.933 HG2 :: 0.882 HG3 :: 0.882 HD2 :: 1.307 HD3 :: 1.246 HE2 :: 2.960 HE3 :: 2.960 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 :: 134.051(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 Y 0.13 C 0.13 D 0.13 F 0.12 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 175.091 CA :: 54.532 CB :: 38.424 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 :: 9.086 HA :: 4.214 HB2 :: 2.994 HB3 :: 2.994 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.465 Ave N Shift Values>> N :: 120.65(3.86) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.2 L 0.17 F 0.09 Y 0.07 C 0.06 K 0.03 C Shift Assignments>> C :: 176.638 CA :: 53.815 CB :: 40.571 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 :: 7.228 HA :: 4.513 HB2 :: 2.986 HB3 :: 2.581 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.747 Ave N Shift Values>> N :: 120.65(3.86) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 E 0.13 K 0.13 Q 0.12 H 0.11 R 0.1 I 0.04 M 0.02 C Shift Assignments>> C :: 176.829 CA :: 58.035 CB :: 29.289 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 :: 8.605 HA :: 3.875 HB2 :: 2.092 HB3 :: 1.968 HG2 :: 2.324 HG3 :: 2.104 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 :: 125.766 Ave N Shift Values>> N :: 120.67(3.48) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.21 F 0.09 Y 0.09 C 0.09 L 0.06 C Shift Assignments>> C :: 174.639 CA :: 53.848 CB :: 39.101 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 :: 8.592 HA :: 4.665 HB2 :: 2.873 HB3 :: 2.873 HD21 :: 7.037 HD22 :: 7.984 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.928 ND2 :: 115.547 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.3 R 0.09 G 0.02 HN Overlap>> 1.R85 1.R85 C Shift Assignments>> C :: 173.371 CA :: 53.020 CB :: 34.390 CG :: 24.865 CD :: 29.122 CE :: 42.250 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 :: 7.986 HA :: 4.615 HB2 :: 1.929 HB3 :: 1.929 HE2 :: 3.037 HE3 :: 3.037 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 :: 121.689 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.551 CA :: 62.541 CB :: 32.605 CG :: 27.173 CD :: 50.508 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 :: 4.552 HB2 :: 2.203 HB3 :: 1.785 HG2 :: 2.015 HG3 :: 2.015 HD2 :: 3.715 HD3 :: 3.715 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.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.27 K 0.09 W 0.07 R 0.05 M 0.04 P 0.04 Q 0.04 H 0.03 E 0.03 C Shift Assignments>> C :: 174.991 CA :: 60.523 CB :: 32.747 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.340 HA :: 4.429 HB2 :: 3.023 HB3 :: 2.444 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.541 Ave N Shift Values>> N :: 120.17(4.64) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.37 K 0.23 C Shift Assignments>> C :: 175.674 CA :: 56.454 CB :: 30.170 CG :: 26.043 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 :: 8.848 HA :: 4.538 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 1.929 HG3 :: 1.929 HD2 :: 3.260 HD3 :: 3.260 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 :: 127.696 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.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.19 C Shift Assignments>> C :: 176.351 CA :: 56.940 CB :: 32.693 CG :: 24.324 CD :: 28.236 CE :: 42.043 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 :: 8.932 HA :: 4.071 HB2 :: 2.062 HB3 :: 2.062 HG2 :: 0.931 HG3 :: 0.931 HE2 :: 2.351 HE3 :: 2.351 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 :: 120.567 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 P 0.29 C 0.19 W 0.02 K 0.01 R 0.01 HN Overlap>> 1.C12 1.C12 1.R121 1.R121 C Shift Assignments>> CA :: 62.539 CB :: 32.678 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.288 HA :: 4.064 HB2 :: 2.052 HB3 :: 2.052 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.008 Ave N Shift Values>> N :: 120.17(4.64) 1.A24 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 :: 174.999 CA :: 50.675 CB :: 18.365 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.591 HA :: 4.521 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.856 Ave N Shift Values>> N :: 123.23(3.54) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.16 I 0.15 E 0.09 R 0.07 V 0.06 H 0.06 K 0.06 Q 0.05 P 0.01 M 0.01 C Shift Assignments>> C :: 178.009 CA :: 60.696 CB :: 29.743 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.813 HA :: 3.529 HB2 :: 2.930 HB3 :: 1.812 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 :: 121.139 Ave N Shift Values>> N :: 120.17(4.64) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.35 C 0.28 C Shift Assignments>> C :: 175.374 CA :: 56.651 CB :: 29.611 CD2 :: 121.341 CE1 :: 137.628 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 :: 9.656 HA :: 4.678 HB2 :: 2.805 HB3 :: 2.270 HD2 :: 7.237 HE1 :: 8.384 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 128.177 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.230 CA :: 64.765 CB :: 32.930 CG1 :: 20.743 CG2 :: 21.629 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 :: 8.945 HA :: 3.947 HB :: 2.229 HG11 :: 1.132 HG12 :: 1.132 HG13 :: 1.132 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 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 :: 120.027 Ave N Shift Values>> N :: 121.14(4.54) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.15 M 0.1 V 0.1 W 0.09 R 0.09 H 0.07 Q 0.06 E 0.06 C Shift Assignments>> C :: 176.851 CA :: 58.833 CB :: 32.453 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.237 HA :: 5.011 HB2 :: 3.401 HB3 :: 3.009 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 :: 117.701 Ave N Shift Values>> N :: 120.17(4.64) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.182 CA :: 45.389 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.860 HA2 :: 3.743 HA3 :: 3.743 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.261 Ave N Shift Values>> N :: 109.67(3.87) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.728 CA :: 45.381 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.626 HA2 :: 4.097 HA3 :: 4.015 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.832 Ave N Shift Values>> N :: 109.67(3.87) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.23 K 0.2 G 0.1 C Shift Assignments>> C :: 177.125 CA :: 55.042 CB :: 31.069 CG :: 24.781 CD :: 43.404 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 :: 8.657 HA :: 4.014 HB2 :: 2.005 HB3 :: 1.556 HG2 :: 1.682 HG3 :: 1.682 HD2 :: 3.200 HD3 :: 3.153 HE :: 6.879 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.763 NE :: 85.121 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.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 K 0.11 Q 0.06 I 0.06 C Shift Assignments>> C :: 175.768 CA :: 56.208 CB :: 28.477 CG :: 36.324 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.327 HA :: 4.280 HB2 :: 2.110 HB3 :: 2.057 HG2 :: 2.415 HG3 :: 2.415 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.435 Ave N Shift Values>> N :: 120.67(3.48) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 175.663 CA :: 52.127 CB :: 18.236 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.369 HA :: 4.601 HB1 :: 1.532 HB2 :: 1.532 HB3 :: 1.532 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.946 Ave N Shift Values>> N :: 123.23(3.54) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.363 CA :: 65.335 CB :: 29.802 CG :: 27.548 CD :: 50.768 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 :: 4.225 HB2 :: 2.300 HB3 :: 2.300 HG2 :: 2.131 HG3 :: 2.019 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.E35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 I 0.29 E 0.21 L 0.02 K 0.02 C Shift Assignments>> C :: 175.549 CA :: 57.799 CB :: 27.389 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 :: 10.702(S) HA :: 4.356 HB2 :: 2.123 HB3 :: 2.123 HG2 :: 2.386 HG3 :: 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 :: 124.055 Ave N Shift Values>> N :: 120.67(3.48) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.35 R 0.15 C Shift Assignments>> C :: 173.964 CA :: 54.565 CB :: 33.241 CE :: 42.086 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 :: 8.425 HA :: 4.355 HB2 :: 2.031 HB3 :: 2.031 HG2 :: 1.336 HG3 :: 1.336 HE2 :: 2.938 HE3 :: 2.938 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 :: 119.704 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> E 0.38 C 0.29 K 0.13 Q 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 175.055 CA :: 55.178 CB :: 29.475 CG :: 35.962 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 :: 7.107 HA :: 4.834 HB2 :: 2.327 HB3 :: 2.327 HG2 :: 2.340 HG3 :: 1.115(S) HE21 :: 5.562(S) HE22 :: 5.562(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.745 NE2 :: 104.987(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.67 C 0.17 G 0.07 A 0.06 C Shift Assignments>> C :: 176.138 CA :: 53.491 CB :: 43.038 CG :: 25.804 CD1 :: 23.246 CD2 :: 24.150 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 :: 8.208 HA :: 4.261 HB2 :: 0.668 HB3 :: 0.383 HG :: 1.035 HD11 :: 0.263 HD12 :: 0.263 HD13 :: 0.263 HD21 :: -0.539(S) HD22 :: -0.539(S) HD23 :: -0.539(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 :: 123.126 Ave N Shift Values>> N :: 121.86(3.9) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.23 R 0.22 G 0.12 A 0.02 C Shift Assignments>> C :: 176.247 CA :: 52.341 CB :: 43.002 CG :: 26.619 CD1 :: 24.323 CD2 :: 27.533 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 :: 7.728 HA :: 5.237 HB2 :: 1.526 HB3 :: 1.070 HG :: 1.159 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 117.431 Ave N Shift Values>> N :: 121.86(3.9) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.18 W 0.12 K 0.09 R 0.08 E 0.06 H 0.06 M 0.06 P 0.02 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.842 CA :: 60.054 CB :: 31.920 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.833 HA :: 4.581 HB2 :: 3.633 HB3 :: 2.920 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 :: 124.451 Ave N Shift Values>> N :: 120.17(4.64) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 L 0.12 K 0.12 C 0.1 D 0.08 I 0.05 C Shift Assignments>> C :: 175.361 CA :: 57.871 CB :: 40.877 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 :: 9.176 HA :: 4.633 HB2 :: 2.715 HB3 :: 1.864 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 :: 129.522 Ave N Shift Values>> N :: 120.65(3.86) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.07 K 0.06 Q 0.05 I 0.05 C Shift Assignments>> C :: 176.211 CA :: 58.129 CB :: 30.280 CG :: 36.102 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.537 HA :: 4.939 HB2 :: 2.209 HB3 :: 2.209 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 :: 124.426 Ave N Shift Values>> N :: 120.67(3.48) 1.C43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.18 K 0.11 W 0.1 R 0.07 M 0.06 H 0.05 E 0.05 Q 0.04 P 0.02 HN Overlap>> 1.Q109 1.Q109 C Shift Assignments>> C :: 175.488 CA :: 59.875 CB :: 32.381 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.475 HA :: 4.643 HB2 :: 2.667 HB3 :: 2.667 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 :: 118.331 Ave N Shift Values>> N :: 120.17(4.64) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.21 F 0.12 R 0.12 D 0.11 Y 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 175.855 CA :: 56.677 CB :: 42.110 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 :: 8.025 HA :: 4.850 HB2 :: 2.902 HB3 :: 2.737 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.083 Ave N Shift Values>> N :: 120.65(3.86) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.23 M 0.07 C Shift Assignments>> C :: 173.780 CA :: 55.791 CB :: 34.688 CG :: 33.822 CE :: 20.779 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 :: 8.603 HA :: 4.319 HB2 :: 2.019 HB3 :: 1.277 HG2 :: 2.552 HG3 :: 2.525 HE1 :: 2.140 HE2 :: 2.140 HE3 :: 2.140 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.222 Ave N Shift Values>> N :: 120.09(3.57) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.04 L 0.02 C Shift Assignments>> C :: 177.310 CA :: 49.752 CB :: 20.954 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.411 HA :: 5.483 HB1 :: 0.988 HB2 :: 0.988 HB3 :: 0.988 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.147 Ave N Shift Values>> N :: 123.23(3.54) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 G 0.32 C 0.27 C Shift Assignments>> C :: 176.682 CA :: 56.696 CB :: 43.592 CD1 :: 132.707 CD2 :: 132.707 CE1 :: 131.397 CE2 :: 131.397 CZ :: 131.573 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 :: 8.879 HA :: 5.215 HB2 :: 2.794 HB3 :: 2.794 HD1 :: 7.490 HD2 :: 7.490 HE1 :: 7.326 HE2 :: 7.326 HZ :: 7.390 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.906 Ave N Shift Values>> N :: 120.45(4.18) 1.H48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.34 C 0.33 H 0.31 C Shift Assignments>> C :: 179.231 CA :: 58.857 CB :: 30.947 CD2 :: 119.886 CE1 :: 137.627 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 :: 9.196 HA :: 4.655 HB2 :: 3.276 HB3 :: 1.377(S) HD2 :: 6.578 HE1 :: 7.246 HE2 :: 11.602 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 :: 123.173 NE2 :: 168.752 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 L 0.47 R 0.02 G 0.01 C Shift Assignments>> C :: 177.191 CA :: 58.051 CB :: 42.045 CG :: 25.818 CD1 :: 22.824 CD2 :: 25.400 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 :: 8.720 HA :: 3.830 HB2 :: 3.095(S) HB3 :: 3.095(S) HG :: 0.710 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 HD21 :: 0.697 HD22 :: 0.697 HD23 :: 0.697 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 :: 119.483 Ave N Shift Values>> N :: 121.86(3.9) 1.Y50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.72 Y 0.22 H 0.04 C Shift Assignments>> C :: 176.961 CA :: 54.918 CB :: 36.262 CD1 :: 134.570 CD2 :: 134.570 CE1 :: 118.222 CE2 :: 118.222 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 :: 6.191 HA :: 4.705 HB2 :: 3.501 HB3 :: 3.082 HD1 :: 7.189 HD2 :: 7.189 HE1 :: 6.386 HE2 :: 6.386 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 :: 105.781(S) Ave N Shift Values>> N :: 120.52(4.2) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.19 I 0.14 P 0.14 W 0.11 E 0.03 R 0.03 H 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.130 CA :: 62.032 CB :: 30.302 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.733 HA :: 4.552 HB2 :: 3.306 HB3 :: 2.769 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.299 Ave N Shift Values>> N :: 120.17(4.64) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 C 0.3 L 0.24 R 0.09 C Shift Assignments>> C :: 174.985 CA :: 54.958 CB :: 44.275 CD1 :: 26.617 CD2 :: 26.617 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.599 HA :: 4.312 HB2 :: 1.919 HB3 :: 1.563 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 HD21 :: 0.983 HD22 :: 0.983 HD23 :: 0.983 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.286 Ave N Shift Values>> N :: 121.86(3.9) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.31 R 0.06 G 0.01 HN Overlap>> 1.R102 1.R102 1.K84 1.K84 C Shift Assignments>> C :: 174.427 CA :: 52.817 CB :: 34.493 CG :: 24.804 CD :: 29.405 CE :: 41.955 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 :: 4.877 HB2 :: 1.735 HB3 :: 1.735 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 :: 118.959 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.67 P 0.31 C Shift Assignments>> CA :: 62.043 CB :: 32.237 CG :: 24.854 CD :: 50.118 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 :: 5.140 HB2 :: 2.470 HB3 :: 2.095 HG2 :: 1.947 HG3 :: 1.947 HD2 :: 3.724 HD3 :: 3.514 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.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> C :: 177.472 CA :: 63.089 CB :: 32.358 CD :: 49.765 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 :: 4.472 HB2 :: 2.321 HB3 :: 1.910 HG2 :: 2.043 HG3 :: 2.043 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.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.25 C 0.13 A 0.09 C Shift Assignments>> C :: 177.449 CA :: 53.348 CB :: 44.748 CG :: 25.411 CD1 :: 22.810 CD2 :: 23.467 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 :: 7.676 HA :: 4.797 HB2 :: 1.663 HB3 :: 1.663 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 120.825 Ave N Shift Values>> N :: 121.86(3.9) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.681 CA :: 62.259 CB :: 69.575 CG2 :: 21.846 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 :: 8.868 HA :: 4.381 HB :: 4.386 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 109.760 Ave N Shift Values>> N :: 115.42(4.75) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.039 CA :: 56.890 CB :: 65.235 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.513 HA :: 4.545 HB2 :: 3.827 HB3 :: 3.733 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 :: 114.288 Ave N Shift Values>> N :: 116.28(3.52) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.284 CA :: 61.884 CB :: 32.217 CG1 :: 20.272 CG2 :: 21.461 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 :: 8.641 HA :: 3.792 HB :: 1.933 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 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 :: 123.901 Ave N Shift Values>> N :: 121.14(4.54) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> CA :: 61.823 CB :: 31.930 CG :: 27.269 CD :: 51.620 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 :: 4.703 HB2 :: 2.158 HB3 :: 2.158 HD2 :: 3.724 HD3 :: 3.261 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.P61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.787 CA :: 62.948 CB :: 31.088 CG :: 27.083 CD :: 50.397 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 :: 4.634 HB2 :: 2.071 HB3 :: 2.071 HG2 :: 0.840(S) HG3 :: 0.840 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.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.28 Q 0.14 M 0.11 K 0.1 I 0.01 C Shift Assignments>> C :: 174.654 CA :: 56.488 CB :: 30.208 CG :: 35.575 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 :: 7.719 HG3 :: 2.051 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.348 Ave N Shift Values>> N :: 120.67(3.48) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 174.637 CA :: 64.242 CB :: 32.436 CG :: 27.199 CD :: 50.567 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 :: 4.470 HB2 :: 2.251 HB3 :: 1.942 HD2 :: 3.845 HD3 :: 3.845 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.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 Q 0.21 C 0.19 K 0.14 H 0.05 R 0.04 W 0.02 C Shift Assignments>> C :: 174.629 CA :: 53.698 CB :: 33.863 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 :: 6.937 HA :: 4.613 HB2 :: 1.955 HB3 :: 1.782 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 :: 110.280 Ave N Shift Values>> N :: 120.67(3.48) 1.W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.45 C Shift Assignments>> C :: 171.430 CA :: 59.972 CB :: 31.947 CD1 :: 126.250 CZ2 :: 113.817 CZ3 :: 120.245 CH2 :: 122.387 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 :: 8.952 HA :: 4.290 HB2 :: 3.040 HB3 :: 2.932 HD1 :: 7.331 HE1 :: 9.709 HZ2 :: 7.080 HZ3 :: 6.708 HH2 :: 6.245 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 :: 122.740 NE1 :: 127.712 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.78 C 0.21 C Shift Assignments>> C :: 173.910 CA :: 54.979 CB :: 41.276 CD1 :: 132.979 CD2 :: 132.979 CE1 :: 118.210 CE2 :: 118.210 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 :: 7.026 HA :: 5.168 HB2 :: 2.426 HB3 :: 2.084 HD1 :: 6.873 HD2 :: 6.873 HE1 :: 6.571 HE2 :: 6.571 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 :: 122.953 Ave N Shift Values>> N :: 120.52(4.2) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 R 0.14 H 0.14 C 0.13 Q 0.11 M 0.06 K 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 172.664 CA :: 57.350 CB :: 30.392 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.322 HA :: 3.452 HB2 :: 2.545 HB3 :: 2.203 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 :: 127.243 Ave N Shift Values>> N :: 120.17(4.64) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.164 CA :: 65.723 CB :: 32.061 CG :: 28.291 CD :: 49.843 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 :: 3.899 HB2 :: 2.391 HB3 :: 1.911 HG2 :: 2.162 HG3 :: 2.162 HD2 :: 3.097 HD3 :: 3.097 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.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.889 CA :: 60.865 CB :: 63.325 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.036 HA :: 4.415 HB2 :: 3.977 HB3 :: 3.977 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 :: 112.410 Ave N Shift Values>> N :: 116.28(3.52) 1.C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 V 0.29 C 0.19 W 0.06 I 0.06 R 0.01 E 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 177.446 CA :: 62.570 CB :: 31.029 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.194 HA :: 4.067 HB2 :: 2.862 HB3 :: 2.761 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 :: 124.346 Ave N Shift Values>> N :: 120.17(4.64) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.13 H 0.12 Q 0.12 R 0.12 K 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 176.045 CA :: 57.707 CB :: 29.690 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 :: 8.192 HA :: 3.787 HB2 :: 1.717 HB3 :: 1.556 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.090 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.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.303 CA :: 61.685 CB :: 69.541 CG2 :: 21.696 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 :: 7.531 HA :: 4.296 HB :: 4.301 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 111.892 Ave N Shift Values>> N :: 115.42(4.75) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.560 CA :: 54.599 CB :: 41.198 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 :: 7.825 HA :: 4.579 HB2 :: 2.724 HB3 :: 2.724 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 :: 122.032 Ave N Shift Values>> N :: 120.65(3.86) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.576 CA :: 58.938 CB :: 63.632 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.177 HA :: 4.277 HB2 :: 3.748 HB3 :: 3.748 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 :: 116.880 Ave N Shift Values>> N :: 116.28(3.52) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 K 0.08 M 0.01 C Shift Assignments>> C :: 176.249 CA :: 56.227 CB :: 30.487 CG :: 27.029 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 :: 8.229 HA :: 4.270 HB2 :: 1.756 HB3 :: 1.669 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 :: 122.641 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.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 K 0.09 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.214 CA :: 56.224 CB :: 30.692 CG :: 27.039 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 :: 8.071 HA :: 4.242 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 :: 122.151 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.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 Q 0.12 C 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 176.374 CA :: 56.217 CB :: 30.345 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 :: 8.616 HA :: 4.328 HB2 :: 2.021 HB3 :: 1.931 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 :: 123.167 Ave N Shift Values>> N :: 120.67(3.48) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.223 CA :: 62.417 CB :: 32.701 CG1 :: 20.871 CG2 :: 21.135 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 :: 8.440 HA :: 4.093 HB :: 2.062 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.959 Ave N Shift Values>> N :: 121.14(4.54) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 K 0.11 C 0.11 M 0.05 C Shift Assignments>> C :: 175.960 CA :: 55.644 CB :: 29.685 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 :: 8.690 HA :: 4.388 HB2 :: 2.125 HB3 :: 1.989 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 :: 125.167 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.275 CA :: 58.354 CB :: 63.911 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.423 HA :: 4.373 HB2 :: 3.865 HB3 :: 3.754 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 :: 117.413 Ave N Shift Values>> N :: 116.28(3.52) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 176.845 CA :: 52.782 CB :: 19.261 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.371 HA :: 4.223 HB1 :: 1.211 HB2 :: 1.211 HB3 :: 1.211 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.021 Ave N Shift Values>> N :: 123.23(3.54) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.39 C 0.18 HN Overlap>> 1.Q111 1.Q111 C Shift Assignments>> C :: 176.843 CA :: 55.419 CB :: 39.275 CD1 :: 131.953 CD2 :: 131.953 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 :: 8.101 HA :: 4.921 HB2 :: 3.179 HB3 :: 2.943 HD1 :: 7.265 HD2 :: 7.265 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.821 Ave N Shift Values>> N :: 120.45(4.18) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.19 R 0.01 I 0.01 C Shift Assignments>> C :: 177.001 CA :: 63.966 CB :: 32.294 CG :: 27.176 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 :: 4.380 HB2 :: 2.317 HB3 :: 1.926 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.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.08 Q 0.03 HN Overlap>> 1.R102 1.K53 1.R102 1.K53 C Shift Assignments>> C :: 176.110 CA :: 56.166 CB :: 32.417 CG :: 24.851 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 :: 8.367 HA :: 4.327 HB2 :: 1.926 HB3 :: 1.804 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 :: 118.962 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 M 0.14 C 0.13 H 0.13 K 0.11 W 0.11 E 0.1 Q 0.07 V 0.01 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 174.566 CA :: 56.575 CB :: 31.417 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.984 HA :: 4.278 HB2 :: 1.920 HB3 :: 1.761 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.744 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.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.16 K 0.16 Q 0.14 H 0.09 R 0.09 W 0.05 E 0.02 C Shift Assignments>> C :: 175.287 CA :: 54.306 CB :: 32.886 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.842 HA :: 4.283 HB2 :: 1.704 HB3 :: 1.704 HD2 :: 3.220 HD3 :: 3.220 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.422 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.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.436 CA :: 63.679 CB :: 32.021 CG1 :: 22.507 CG2 :: 23.444 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 :: 8.138 HA :: 3.744 HB :: 1.881 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 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 :: 121.529 Ave N Shift Values>> N :: 121.14(4.54) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.3 K 0.27 C Shift Assignments>> C :: 176.038 CA :: 55.648 CB :: 32.037 CG :: 26.861 CD :: 41.808 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 :: 9.378 HA :: 4.353 HB2 :: 1.509 HB3 :: 1.509 HD2 :: 2.982 HD3 :: 2.982 HE :: 7.428 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.356 NE :: 85.055 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.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.48 C 0.47 A 0.04 C Shift Assignments>> C :: 177.566 CA :: 58.460 CB :: 72.450 CG2 :: 21.010 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 :: 7.455 HA :: 5.498 HB :: 4.610 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 107.655 Ave N Shift Values>> N :: 115.42(4.75) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.46 R 0.03 G 0.01 C Shift Assignments>> C :: 178.331 CA :: 57.912 CB :: 42.318 CG :: 26.932 CD1 :: 22.465 CD2 :: 24.822 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 :: 8.992 HA :: 4.052 HB2 :: 2.116 HB3 :: 1.102 HG :: 1.511 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 123.396 Ave N Shift Values>> N :: 121.86(3.9) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.31 R 0.01 C Shift Assignments>> C :: 176.634 CA :: 57.875 CB :: 41.230 CG :: 25.096 CD1 :: 25.402 CD2 :: 26.561 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 :: 7.118 HA :: 3.879 HB2 :: 1.750 HB3 :: 1.045 HG :: 1.577 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: 0.983 HD22 :: 0.983 HD23 :: 0.983 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 :: 117.150 Ave N Shift Values>> N :: 121.86(3.9) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.136 CA :: 61.660 CB :: 63.154 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.620 HA :: 4.016 HB2 :: 3.975 HB3 :: 3.946 HG :: 4.849 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 :: 111.992 Ave N Shift Values>> N :: 116.28(3.52) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.334 CA :: 64.742 CB :: 32.246 CG1 :: 21.651 CG2 :: 23.457 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 :: 7.216 HA :: 4.065 HB :: 2.058 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 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 :: 120.657 Ave N Shift Values>> N :: 121.14(4.54) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.44 R 0.08 C Shift Assignments>> C :: 179.585 CA :: 57.661 CB :: 41.594 CG :: 27.923 CD1 :: 25.777 CD2 :: 22.996 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 :: 8.253 HA :: 3.901 HB2 :: 1.866 HB3 :: 1.498 HG :: 0.852 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.969 HD22 :: 0.969 HD23 :: 0.969 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 :: 117.871 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>> C 0.41 R 0.33 K 0.18 G 0.06 C Shift Assignments>> C :: 175.178 CA :: 56.622 CB :: 32.820 CE :: 43.309 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 :: 7.500 HA :: 4.217 HB2 :: 1.970 HB3 :: 1.764 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 :: 113.846 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.13 D 0.12 R 0.06 C 0.04 N 0.02 F 0.01 C Shift Assignments>> C :: 172.849 CA :: 49.965 CB :: 43.188 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 :: 7.471 HA :: 5.247 HB2 :: 3.122 HB3 :: 2.589 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.666 Ave N Shift Values>> N :: 120.65(3.86) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.79 P 0.15 I 0.03 C Shift Assignments>> C :: 179.411 CA :: 65.306 CB :: 32.693 CG :: 30.165 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 :: 4.229 HB2 :: 2.449 HB3 :: 2.012 HG2 :: 2.013 HG3 :: 1.611 HD2 :: 4.072 HD3 :: 4.072 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.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 178.282 CA :: 63.667 CB :: 36.613 CG1 :: 28.586 CG2 :: 17.109 CD1 :: 11.340 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 :: 7.770 HA :: 3.864 HB :: 2.145 HG12 :: 1.607 HG13 :: 1.339 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 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 :: 117.923 Ave N Shift Values>> N :: 121.46(4.28) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.42 C 0.02 I 0.02 C Shift Assignments>> C :: 181.087 CA :: 54.764 CB :: 18.489 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.449 HA :: 4.073 HB1 :: 1.627 HB2 :: 1.627 HB3 :: 1.627 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.794 Ave N Shift Values>> N :: 123.23(3.54) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.37 R 0.08 HN Overlap>> 1.S8 1.F11 1.S8 1.F11 C Shift Assignments>> C :: 178.506 CA :: 60.454 CB :: 32.558 CG :: 25.272 CD :: 30.100 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 :: 8.993 HA :: 3.704 HB2 :: 2.262 HB3 :: 1.817 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 :: 121.171 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.35 Q 0.09 K 0.02 C Shift Assignments>> C :: 177.788 CA :: 58.749 CB :: 32.241 CG :: 31.829 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 :: 7.645 HA :: 4.161 HB2 :: 2.317 HB3 :: 1.899 HG2 :: 2.731 HG3 :: 2.621 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.879 Ave N Shift Values>> N :: 120.09(3.57) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 R 0.1 H 0.09 Q 0.07 I 0.06 K 0.06 V 0.04 M 0.02 HN Overlap>> 1.K53 1.K84 1.K53 1.K84 C Shift Assignments>> C :: 179.017 CA :: 59.660 CB :: 30.072 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 :: 8.367 HA :: 3.933 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 1.656 HG3 :: 1.656 HD2 :: 3.169 HD3 :: 3.169 HE :: 6.874 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.903 NE :: 84.554 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.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.06 L 0.06 HN Overlap>> 1.R113 1.R113 C Shift Assignments>> C :: 177.167 CA :: 58.373 CB :: 29.272 CG :: 24.921 CD :: 41.897 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.923 HA :: 4.173 HB2 :: 1.709 HB3 :: 1.709 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 3.008 HD3 :: 3.008 HE :: 6.350 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 :: 119.503 NE :: 84.363 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.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.45 K 0.03 C Shift Assignments>> C :: 180.249 CA :: 58.356 CB :: 41.222 CD1 :: 25.769 CD2 :: 25.769 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.722 HA :: 4.095 HB2 :: 1.986 HB3 :: 1.570 HG :: 1.891 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.682 Ave N Shift Values>> N :: 121.86(3.9) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.306 CA :: 66.663 CB :: 31.917 CG1 :: 21.103 CG2 :: 23.169 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 :: 8.277 HA :: 3.763 HB :: 2.159 HG11 :: 0.975 HG12 :: 0.975 HG13 :: 0.975 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 120.228 Ave N Shift Values>> N :: 121.14(4.54) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.34 G 0.13 K 0.02 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 179.801 CA :: 60.348 CB :: 30.152 CG :: 27.834 CD :: 43.677 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.941 HA :: 4.100 HB2 :: 2.029 HB3 :: 2.029 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.924 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.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 179.046 CA :: 66.064 CB :: 38.837 CG1 :: 29.104 CG2 :: 17.067 CD1 :: 14.159 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 :: 8.573 HA :: 3.781 HB :: 1.947 HG12 :: 1.102 HG13 :: 1.986 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.938 Ave N Shift Values>> N :: 121.46(4.28) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.23 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.036 CA :: 59.823 CB :: 29.425 CG :: 36.632 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 :: 8.146 HA :: 4.192 HB2 :: 2.333 HB3 :: 2.225 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.351 Ave N Shift Values>> N :: 120.67(3.48) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.24 K 0.22 E 0.09 R 0.05 I 0.03 M 0.01 HN Overlap>> 1.C43 1.C43 C Shift Assignments>> C :: 178.807 CA :: 58.675 CB :: 28.364 CG :: 34.225 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 :: 8.492 HA :: 4.063 HB2 :: 2.139 HB3 :: 2.139 HG2 :: 2.648 HG3 :: 2.483 HE21 :: 6.870 HE22 :: 7.531 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 :: 118.369 NE2 :: 112.045 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.17 E 0.14 R 0.11 H 0.11 Q 0.09 K 0.07 I 0.04 M 0.03 V 0.03 HN Overlap>> 1.E115 1.E115 C Shift Assignments>> C :: 178.146 CA :: 58.929 CB :: 30.108 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 :: 8.136 HA :: 4.075 HB2 :: 2.022 HB3 :: 1.941 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 :: 119.577 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.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.25 R 0.08 E 0.06 M 0.02 I 0.01 HN Overlap>> 1.F82 1.F82 C Shift Assignments>> C :: 177.740 CA :: 57.798 CB :: 28.284 CG :: 33.859 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 :: 8.054 HA :: 4.112 HB2 :: 2.261 HB3 :: 2.261 HG2 :: 2.564 HG3 :: 2.453 HE21 :: 6.981 HE22 :: 7.729 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 :: 118.799 NE2 :: 112.918 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.09 Q 0.02 V 0.01 HN Overlap>> 1.F119 1.F119 C Shift Assignments>> C :: 178.271 CA :: 58.255 CB :: 32.329 CG :: 25.045 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 :: 8.080 HA :: 4.174 HB2 :: 1.893 HB3 :: 1.893 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 :: 119.446 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.43 G 0.06 K 0.03 HN Overlap>> 1.R103 1.R103 C Shift Assignments>> C :: 177.670 CA :: 57.831 CB :: 30.288 CG :: 27.178 CD :: 43.399 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.914 HA :: 4.228 HB2 :: 1.899 HB3 :: 1.899 HG2 :: 1.732 HG3 :: 1.732 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 :: 119.584 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.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.13 R 0.13 F 0.1 Y 0.07 C 0.05 N 0.01 HN Overlap>> 1.R106 1.R106 C Shift Assignments>> C :: 178.147 CA :: 56.180 CB :: 42.201 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 :: 8.037 HA :: 4.289 HB2 :: 1.785 HB3 :: 1.626 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 :: 120.917 Ave N Shift Values>> N :: 121.86(3.9) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.09 K 0.05 Q 0.05 I 0.03 HN Overlap>> 1.R110 1.F119 1.R110 1.F119 C Shift Assignments>> C :: 177.245 CA :: 57.066 CB :: 30.279 CG :: 36.300 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 :: 8.147 HA :: 4.283 HB2 :: 2.078 HB3 :: 2.078 HG2 :: 2.454 HG3 :: 2.308 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.547 Ave N Shift Values>> N :: 120.67(3.48) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.166 CA :: 45.621 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.228 HA2 :: 4.034 HA3 :: 3.977 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.843 Ave N Shift Values>> N :: 109.67(3.87) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.22 C 0.08 F 0.08 Y 0.07 L 0.06 C Shift Assignments>> C :: 175.475 CA :: 53.324 CB :: 39.193 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 :: 8.303 HA :: 4.737 HB2 :: 2.800 HB3 :: 2.765 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 :: 118.629 ND2 :: 112.958 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.34 K 0.08 Q 0.06 M 0.06 I 0.04 C Shift Assignments>> C :: 176.315 CA :: 57.481 CB :: 29.987 CG :: 36.156 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 :: 8.577 HA :: 4.143 HB2 :: 1.879 HB3 :: 1.879 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 :: 120.931 Ave N Shift Values>> N :: 120.67(3.48) 1.F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.39 C 0.2 HN Overlap>> 1.E115 1.K112 1.E115 1.K112 C Shift Assignments>> C :: 175.826 CA :: 57.740 CB :: 39.552 CD1 :: 132.241 CD2 :: 132.241 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 :: 8.123 HA :: 4.629 HB2 :: 3.199 HB3 :: 3.022 HD1 :: 7.238 HD2 :: 7.238 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.444 Ave N Shift Values>> N :: 120.45(4.18) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.14 W 0.13 Q 0.12 C 0.12 M 0.07 K 0.07 HN Overlap>> 1.C12 1.R121 1.C12 1.R121 C Shift Assignments>> C :: 176.577 CA :: 56.592 CB :: 30.291 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 :: 8.225 HA :: 4.266 HB2 :: 2.027 HB3 :: 1.925 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.899 Ave N Shift Values>> N :: 120.67(3.48) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.09 G 0.07 HN Overlap>> 1.E120 1.C12 1.C23 1.E120 1.C12 1.C23 C Shift Assignments>> C :: 176.197 CA :: 56.348 CB :: 31.117 CD :: 43.467 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 :: 8.282 HA :: 4.323 HB2 :: 1.873 HB3 :: 1.775 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.958 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.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.241 CA :: 54.639 CB :: 41.187 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 :: 8.460 HA :: 4.624 HB2 :: 2.732 HB3 :: 2.664 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 :: 121.323 Ave N Shift Values>> N :: 120.65(3.86) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S5 1.S5 C Shift Assignments>> C :: 174.195 CA :: 58.277 CB :: 64.101 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.178 HA :: 4.441 HB2 :: 3.853 HB3 :: 3.853 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 :: 115.467 Ave N Shift Values>> N :: 116.28(3.52) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 M 0.1 K 0.08 Q 0.08 C Shift Assignments>> C :: 174.763 CA :: 54.472 CB :: 29.986 CG :: 36.132 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 :: 8.361 HA :: 4.562 HB2 :: 2.004 HB3 :: 1.882 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 :: 123.655 Ave N Shift Values>> N :: 120.67(3.48) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 175.753 CA :: 63.464 CB :: 31.881 CG :: 26.845 CD :: 50.499 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 :: 4.378 HB2 :: 2.166 HB3 :: 1.897 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.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 I 0.15 C 0.14 L 0.05 D 0.03 K 0.02 C Shift Assignments>> C :: 180.274 CA :: 58.990 CB :: 40.198 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 :: 7.620 HA :: 4.414 HB2 :: 3.109 HB3 :: 3.024 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 :: 124.410 Ave N Shift Values>> N :: 120.45(4.18) 2.ZN1 Overall Status: Residue type ZN not supported. 2.ZN2 Overall Status: Residue type ZN not supported. 2.ZN3 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 118 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 125 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 0 C Shift Results: #Consistent: 510 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 717 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 Error Summary: 1.K13 N = 134.051(S), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6362e-04 1.E35 H = 10.702(S), Expected = 8.33, Std = 0.5900, ChiSquare = 5.8114e-05 1.Q37 HG3 = 1.115(S), Expected = 2.29, Std = 0.2900, ChiSquare = 5.0842e-05 1.Q37 HE21 = 5.562(S), Expected = 7.24, Std = 0.4500, ChiSquare = 1.9233e-04 1.Q37 HE22 = 5.562(S), Expected = 7.02, Std = 0.4400, ChiSquare = 9.2091e-04 1.Q37 NE2 = 104.987(S), Expected = 111.87, Std = 1.7200, ChiSquare = 6.2877e-05 1.L38 HD21 = -0.539(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2095e-05 1.L38 HD22 = -0.539(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2095e-05 1.L38 HD23 = -0.539(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2095e-05 1.H48 HB3 = 1.377(S), Expected = 3.04, Std = 0.3800, ChiSquare = 1.2070e-05 1.L49 HB2 = 3.095(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.2559e-05 1.L49 HB3 = 3.095(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.2143e-05 1.Y50 N = 105.781(S), Expected = 120.52, Std = 4.2000, ChiSquare = 4.4931e-04 1.P61 HG2 = 0.840(S), Expected = 1.93, Std = 0.3100, ChiSquare = 4.3789e-04