Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.83 M 0.15 C Shift Assignments>> CA :: 50.701 CB :: 17.357 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.612 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 A 0.28 M 0.16 L 0.02 K 0.01 HN Overlap>> 1.R31 1.F43 1.R31 1.F43 C Shift Assignments>> CA :: 54.590 CB :: 27.276 CG :: 22.982 CD :: 31.156 CE :: 40.367 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.012 HA :: 4.000 HB2 :: 1.746 HB3 :: 2.107 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.885 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.02 C Shift Assignments>> C :: 176.356 CA :: 60.061 CB :: 68.301 CG2 :: 19.889 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.938 HA :: 4.073 HB :: 3.938 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.340 Ave N Shift Values>> N :: 115.7(5.05) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 H 0.2 R 0.18 K 0.14 Q 0.11 E 0.1 HN Overlap>> 1.R96 1.A72 1.R96 1.A72 C Shift Assignments>> CA :: 54.466 CB :: 31.320 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.243 HA :: 3.991 HB2 :: 1.552 HB3 :: 1.552 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.662 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 176.882 CA :: 43.530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.199 HA2 :: 3.663 HA3 :: 3.663 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.520 Ave N Shift Values>> N :: 109.91(4.29) 1.N6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.47 R 0.26 A 0.14 M 0.09 L 0.01 C Shift Assignments>> C :: 174.452 CA :: 54.640 CB :: 31.224 CG :: 22.994 CD :: 27.359 CE :: 40.348 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.034 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 I 0.09 C Shift Assignments>> C :: 175.148 CA :: 60.560 CB :: 31.087 CG1 :: 18.850 CG2 :: 18.850 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.985 HA :: 3.778 HB :: 1.735 HG11 :: 0.620 HG12 :: 0.620 HG13 :: 0.620 HG21 :: 0.620 HG22 :: 0.620 HG23 :: 0.620 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.725 Ave N Shift Values>> N :: 121.02(4.96) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 D 0.06 Y 0.05 M 0.03 F 0.03 E 0.03 C Shift Assignments>> C :: 175.791 CA :: 51.363 CB :: 37.165 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.385 HA :: 4.444 HB2 :: 2.431 HB3 :: 2.431 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.218 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 I 0.18 HN Overlap>> 1.Q47 1.Q47 C Shift Assignments>> C :: 174.330 CA :: 60.759 CB :: 30.920 CG1 :: 18.395 CG2 :: 19.179 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.992 HA :: 3.840 HB :: 1.830 HG11 :: 0.638 HG12 :: 0.638 HG13 :: 0.638 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.550 Ave N Shift Values>> N :: 121.02(4.96) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.09 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 176.919 CA :: 43.398 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.276 HA2 :: 3.672 HA3 :: 3.672 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.220 Ave N Shift Values>> N :: 109.91(4.29) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 I 0.08 C Shift Assignments>> C :: 174.840 CA :: 60.747 CB :: 31.013 CG1 :: 18.925 CG2 :: 18.925 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.765 HA :: 3.771 HB :: 1.687 HG11 :: 0.522 HG12 :: 0.522 HG13 :: 0.522 HG21 :: 0.583 HG22 :: 0.583 HG23 :: 0.583 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.889 Ave N Shift Values>> N :: 121.02(4.96) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 R 0.25 A 0.16 M 0.09 L 0.01 C Shift Assignments>> C :: 174.758 CA :: 54.451 CB :: 31.233 CG :: 22.994 CD :: 27.298 CE :: 40.316 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.153 HA :: 3.971 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.132 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Y 0.24 F 0.14 N 0.1 M 0.07 I 0.06 D 0.03 K 0.02 HN Overlap>> 1.R56 1.R56 C Shift Assignments>> C :: 175.454 CA :: 56.330 CB :: 37.199 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.043 HA :: 4.211 HB2 :: 2.611 HB3 :: 2.734 HD1 :: 6.811 HD2 :: 6.811 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.097 Ave N Shift Values>> N :: 120.79(4.69) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.13 C Shift Assignments>> C :: 173.603 CA :: 50.578 CB :: 17.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.980 HA :: 3.967 HB1 :: 1.043 HB2 :: 1.043 HB3 :: 1.043 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.698 Ave N Shift Values>> N :: 123.23(3.7) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 K 0.19 H 0.19 R 0.14 E 0.1 L 0.09 M 0.03 I 0.01 HN Overlap>> 1.Q47 1.H57 1.Q47 1.H57 C Shift Assignments>> CA :: 54.862 CB :: 28.575 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.119 HA :: 4.272 HB2 :: 1.679 HB3 :: 1.679 HG2 :: 2.015 HG3 :: 2.015 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.507 Ave N Shift Values>> N :: 120.68(3.68) 1.K17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.21 P 0.19 V 0.16 K 0.14 R 0.09 H 0.07 E 0.06 Q 0.02 I 0.01 C Shift Assignments>> CG :: 32.040 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.028 HB2 :: 1.639 HB3 :: 1.753 HG2 :: 1.961 HG3 :: 2.080 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.33 E 0.18 R 0.05 M 0.04 HN Overlap>> 1.R20 1.R20 C Shift Assignments>> C :: 174.603 CA :: 54.779 CB :: 28.641 CG :: 34.411 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.311 HA :: 4.004 HB2 :: 1.650 HB3 :: 1.726 HG2 :: 1.985 HG3 :: 1.985 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.853 Ave N Shift Values>> N :: 120.68(3.68) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 L 0.29 R 0.16 HN Overlap>> 1.E19 1.R21 1.E19 1.R21 C Shift Assignments>> C :: 174.969 CA :: 54.373 CB :: 28.917 CG :: 25.417 CD :: 41.613 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.233 HA :: 3.960 HB2 :: 1.441 HB3 :: 1.441 HD2 :: 2.854 HD3 :: 2.854 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.813 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 L 0.23 R 0.2 HN Overlap>> 1.R20 1.R20 C Shift Assignments>> C :: 175.102 CA :: 54.263 CB :: 29.179 CG :: 25.530 CD :: 41.599 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.171 HA :: 3.989 HB2 :: 1.419 HB3 :: 1.419 HG2 :: 1.222 HG3 :: 1.222 HD2 :: 2.849 HD3 :: 2.849 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.749 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 N 0.19 F 0.18 E 0.14 D 0.09 I 0.04 M 0.03 L 0.02 HN Overlap>> 1.K82 1.K82 C Shift Assignments>> C :: 175.792 CA :: 55.777 CB :: 37.954 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.193 HA :: 4.365 HB2 :: 2.736 HB3 :: 2.736 HD1 :: 6.943 HD2 :: 6.943 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.937 Ave N Shift Values>> N :: 120.69(4.18) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 L 0.15 Q 0.14 R 0.13 P 0.13 K 0.13 E 0.04 M 0.03 C Shift Assignments>> C :: 176.987 CA :: 52.166 CB :: 28.363 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.063 HA :: 4.342 HB2 :: 1.542 HB3 :: 1.684 HG2 :: 1.922 HG3 :: 1.922 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.523 Ave N Shift Values>> N :: 120.68(3.68) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 G 0.02 C Shift Assignments>> CA :: 61.600 CB :: 30.412 CG :: 25.641 CD :: 49.110 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.009 HB2 :: 1.593 HB3 :: 1.999 HD2 :: 3.348 HD3 :: 3.344 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.32 E 0.19 R 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 174.042 CA :: 55.323 CB :: 28.239 CG :: 34.564 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.459 HA :: 3.860 HB2 :: 1.687 HB3 :: 1.687 HG2 :: 2.010 HG3 :: 2.010 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.962 Ave N Shift Values>> N :: 120.68(3.68) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.27 A 0.09 M 0.07 L 0.01 C Shift Assignments>> C :: 174.130 CA :: 54.740 CB :: 31.135 CG :: 23.273 CD :: 27.252 CE :: 40.361 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.085 HA :: 3.944 HB2 :: 1.477 HB3 :: 1.477 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.428 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.769 CB :: 43.367 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.985 HA :: 4.010 HB2 :: 1.347 HB3 :: 1.347 HD11 :: 0.591 HD12 :: 0.591 HD13 :: 0.591 HD21 :: 0.591 HD22 :: 0.591 HD23 :: 0.591 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.956 Ave N Shift Values>> N :: 121.98(4.07) 1.R28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.2 K 0.19 H 0.19 R 0.15 E 0.1 L 0.09 M 0.03 I 0.01 C Shift Assignments>> CA :: 54.988 CB :: 28.538 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.193 HB2 :: 1.792 HB3 :: 1.792 HG2 :: 2.007 HG3 :: 2.007 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.17 D 0.04 F 0.04 K 0.02 Y 0.02 HN Overlap>> 1.G79 1.G79 C Shift Assignments>> C :: 176.649 CA :: 43.740 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.270 HA2 :: 3.905 HA3 :: 3.905 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.810 Ave N Shift Values>> N :: 109.91(4.29) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 L 0.26 R 0.17 HN Overlap>> 1.K2 1.K2 1.F43 1.F43 C Shift Assignments>> C :: 174.880 CA :: 54.415 CB :: 29.078 CG :: 25.394 CD :: 41.578 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.954 HA :: 3.659 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.934 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 Y 0.05 M 0.05 D 0.05 E 0.04 F 0.03 K 0.01 C Shift Assignments>> C :: 175.867 CA :: 51.567 CB :: 36.894 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.304 HA :: 4.409 HB2 :: 2.480 HB3 :: 2.485 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.604 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.507 CA :: 59.663 CB :: 36.502 CG1 :: 25.814 CG2 :: 15.850 CD1 :: 11.140 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.908 HA :: 3.852 HB :: 1.596 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.351 Ave N Shift Values>> N :: 121.6(4.72) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.059 CA :: 59.828 CB :: 36.492 CG1 :: 25.958 CG2 :: 15.703 CD1 :: 10.971 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.013 HA :: 3.853 HB :: 1.579 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.079 Ave N Shift Values>> N :: 121.6(4.72) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 176.807 CA :: 43.509 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.216 HA2 :: 3.642 HA3 :: 3.642 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.598 Ave N Shift Values>> N :: 109.91(4.29) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 D 0.07 Y 0.05 F 0.03 M 0.03 E 0.02 HN Overlap>> 1.S75 1.S75 C Shift Assignments>> CA :: 51.435 CB :: 37.290 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.113 HA :: 3.594 HB2 :: 1.586 HB3 :: 1.586 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.489 Ave N Shift Values>> N :: 121.98(4.07) 1.Q37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.24 R 0.2 M 0.17 Q 0.14 E 0.11 K 0.1 C Shift Assignments>> CA :: 53.950 CB :: 30.701 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.023 HB2 :: 1.824 HB3 :: 1.824 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.08 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.396 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.243 HA2 :: 3.665 HA3 :: 3.665 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.242 Ave N Shift Values>> N :: 109.91(4.29) 1.I40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.854 HA :: 4.027 HB :: 1.306 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.497 Ave N Shift Values>> N :: 121.6(4.72) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.26 Y 0.13 F 0.11 L 0.07 E 0.01 I 0.01 C Shift Assignments>> CA :: 54.075 CB :: 39.204 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.256 HA :: 4.692 HB2 :: 2.490 HB3 :: 2.490 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.161 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.025 HB2 :: 1.275 HB3 :: 1.275 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 E 0.22 F 0.16 N 0.14 D 0.05 I 0.05 M 0.05 K 0.01 L 0.01 HN Overlap>> 1.K2 1.R31 1.K2 1.R31 C Shift Assignments>> CA :: 56.109 CB :: 37.560 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.946 HA :: 4.314 HB2 :: 2.680 HB3 :: 2.910 HD1 :: 6.950 HD2 :: 6.950 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.884 Ave N Shift Values>> N :: 120.69(4.18) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.17 C Shift Assignments>> C :: 173.076 CA :: 51.165 CB :: 17.517 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.893 HA :: 3.993 HB1 :: 1.098 HB2 :: 1.098 HB3 :: 1.098 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.616 Ave N Shift Values>> N :: 123.23(3.7) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.015 CA :: 56.911 CB :: 62.040 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.043 HA :: 4.118 HB2 :: 3.588 HB3 :: 3.588 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.557 Ave N Shift Values>> N :: 116.3(3.95) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 K 0.34 Q 0.17 M 0.06 C Shift Assignments>> CA :: 54.357 CB :: 27.514 CG :: 32.065 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.174 HA :: 4.087 HB2 :: 1.716 HB3 :: 1.716 HG2 :: 2.067 HG3 :: 2.067 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 R 0.19 M 0.19 Q 0.13 E 0.11 K 0.11 HN Overlap>> 1.D70 1.V10 1.H57 1.E16 1.D70 1.V10 1.H57 1.E16 C Shift Assignments>> C :: 173.858 CA :: 54.051 CB :: 30.865 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.096 HA :: 4.197 HB2 :: 1.802 HB3 :: 1.802 HG2 :: 2.268 HG3 :: 2.268 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.566 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.3 G 0.16 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 176.431 CA :: 43.729 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.154 HA2 :: 3.736 HA3 :: 3.736 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.376 Ave N Shift Values>> N :: 109.91(4.29) 1.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 M 0.21 R 0.19 K 0.12 Q 0.12 E 0.1 HN Overlap>> 1.M89 1.M89 C Shift Assignments>> C :: 174.146 CA :: 53.809 CB :: 31.157 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.971 HA :: 4.283 HB2 :: 1.735 HB3 :: 1.735 HG2 :: 2.231 HG3 :: 2.231 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.524 Ave N Shift Values>> N :: 120.1(3.88) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.01 C Shift Assignments>> C :: 176.507 CA :: 60.244 CB :: 68.433 CG2 :: 19.783 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.009 HA :: 3.990 HB :: 3.877 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.120 Ave N Shift Values>> N :: 115.7(5.05) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.17 C Shift Assignments>> C :: 173.404 CA :: 50.952 CB :: 17.313 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.151 HA :: 3.963 HB1 :: 0.985 HB2 :: 0.985 HB3 :: 0.985 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.611 Ave N Shift Values>> N :: 123.23(3.7) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 Y 0.23 F 0.12 M 0.08 N 0.07 I 0.06 K 0.03 D 0.02 C Shift Assignments>> C :: 174.288 CA :: 56.633 CB :: 36.981 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.905 HA :: 4.196 HB2 :: 2.650 HB3 :: 2.768 HD1 :: 6.800 HD2 :: 6.800 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.007 Ave N Shift Values>> N :: 120.79(4.69) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.18 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 176.483 CA :: 43.778 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.040 HA2 :: 3.570 HA3 :: 3.706 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.938 Ave N Shift Values>> N :: 109.91(4.29) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.02 C Shift Assignments>> C :: 176.248 CA :: 60.384 CB :: 68.201 CG2 :: 19.794 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.779 HA :: 4.015 HB :: 3.650 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.430 Ave N Shift Values>> N :: 115.7(5.05) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 L 0.29 R 0.17 C Shift Assignments>> C :: 174.747 CA :: 54.457 CB :: 28.890 CG :: 25.483 CD :: 41.620 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.153 HA :: 4.073 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.944 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 L 0.26 R 0.17 HN Overlap>> 1.Y14 1.Y14 C Shift Assignments>> C :: 174.896 CA :: 54.535 CB :: 29.071 CG :: 25.478 CD :: 41.507 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.100 HA :: 4.044 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.180 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 Q 0.2 K 0.18 R 0.13 E 0.12 M 0.06 L 0.04 I 0.01 HN Overlap>> 1.Q47 1.D70 1.Q47 1.D70 1.E16 1.E16 C Shift Assignments>> C :: 175.637 CA :: 54.643 CB :: 29.188 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.152 HA :: 4.271 HB2 :: 2.715 HB3 :: 2.715 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.597 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 E 0.21 N 0.2 F 0.14 D 0.06 M 0.05 I 0.04 K 0.01 L 0.01 HN Overlap>> 1.I74 1.I74 C Shift Assignments>> CA :: 55.592 CB :: 37.468 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.871 HA :: 3.944 HB2 :: 1.085 HB3 :: 1.216 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.174 Ave N Shift Values>> N :: 121.98(4.07) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 Y 0.23 N 0.14 F 0.13 M 0.07 I 0.04 D 0.04 K 0.02 C Shift Assignments>> C :: 176.192 CA :: 55.953 CB :: 37.208 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.886 HA :: 4.217 HB2 :: 2.639 HB3 :: 2.639 HD1 :: 6.759 HD2 :: 6.759 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.674 Ave N Shift Values>> N :: 120.79(4.69) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.3 L 0.05 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 176.146 CA :: 49.500 CB :: 39.989 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.954 HA :: 4.558 HB2 :: 2.189 HB3 :: 2.486 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.878 Ave N Shift Values>> N :: 120.73(4.2) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 173.348 CA :: 61.861 CB :: 30.443 CG :: 25.265 CD :: 49.381 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.019 HB2 :: 2.019 HB3 :: 2.019 HD2 :: 3.341 HD3 :: 3.543 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 A 0.1 L 0.07 M 0.06 C Shift Assignments>> C :: 173.686 CA :: 55.284 CB :: 30.396 CG :: 23.213 CD :: 27.198 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.130 HA :: 3.896 HB2 :: 1.513 HB3 :: 1.513 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.205 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.22 L 0.16 F 0.08 Y 0.07 K 0.06 R 0.01 C Shift Assignments>> C :: 172.910 CA :: 53.475 CB :: 40.615 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.623 HA :: 4.039 HB2 :: 1.498 HB3 :: 1.363 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.892 Ave N Shift Values>> N :: 121.98(4.07) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.18 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 176.499 CA :: 43.764 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.041 HA2 :: 3.716 HA3 :: 3.716 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.884 Ave N Shift Values>> N :: 109.91(4.29) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 S 0.04 C Shift Assignments>> C :: 176.516 CA :: 59.994 CB :: 68.135 CG2 :: 19.720 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.824 HA :: 4.100 HB :: 4.007 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.336 Ave N Shift Values>> N :: 115.7(5.05) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.25 Y 0.07 F 0.06 L 0.05 HN Overlap>> 1.Q86 1.L69 1.Q86 1.L69 C Shift Assignments>> C :: 175.225 CA :: 52.589 CB :: 39.150 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.208 HA :: 4.348 HB2 :: 2.345 HB3 :: 2.345 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.250 Ave N Shift Values>> N :: 120.73(4.2) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 L 0.23 R 0.12 H 0.09 Q 0.07 K 0.05 E 0.01 C Shift Assignments>> C :: 177.148 CA :: 51.796 CB :: 27.348 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.976 HA :: 4.323 HB2 :: 1.612 HB3 :: 1.792 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.932 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.97 G 0.02 C Shift Assignments>> CA :: 61.291 CB :: 30.410 CG :: 25.857 CD :: 49.131 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.27 Y 0.15 F 0.14 L 0.09 I 0.01 K 0.01 E 0.01 HN Overlap>> 1.Q86 1.Q86 1.D66 1.D66 C Shift Assignments>> CA :: 54.612 CB :: 39.446 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.206 HA :: 3.991 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.352 Ave N Shift Values>> N :: 121.98(4.07) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.27 Y 0.06 F 0.05 L 0.05 HN Overlap>> 1.Q47 1.Q47 1.H57 1.H57 C Shift Assignments>> CA :: 52.295 CB :: 39.354 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.123 HA :: 4.279 HB2 :: 2.410 HB3 :: 2.410 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.638 Ave N Shift Values>> N :: 120.73(4.2) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 K 0.34 Q 0.16 M 0.05 C Shift Assignments>> C :: 174.426 CA :: 54.986 CB :: 27.387 CG :: 32.020 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.192 HA :: 3.890 HB2 :: 1.699 HB3 :: 1.836 HG2 :: 2.088 HG3 :: 2.408 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.061 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 HN Overlap>> 1.K4 1.R96 1.K4 1.R96 C Shift Assignments>> C :: 172.102 CA :: 51.861 CB :: 17.075 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.172 HA :: 3.966 HB1 :: 1.133 HB2 :: 1.133 HB3 :: 1.133 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.628 Ave N Shift Values>> N :: 123.23(3.7) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.03 HN Overlap>> 1.T94 1.T94 C Shift Assignments>> C :: 175.624 CA :: 61.645 CB :: 67.617 CG2 :: 20.095 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.806 HA :: 3.955 HB :: 3.905 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.990 Ave N Shift Values>> N :: 115.7(5.05) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L58 1.L58 C Shift Assignments>> C :: 173.976 CA :: 60.635 CB :: 36.745 CG1 :: 25.739 CG2 :: 15.434 CD1 :: 11.108 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.836 HA :: 3.756 HB :: 1.565 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.273 Ave N Shift Values>> N :: 121.6(4.72) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L36 1.L36 C Shift Assignments>> C :: 175.693 CA :: 57.456 CB :: 61.811 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.127 HA :: 4.090 HB2 :: 3.612 HB3 :: 3.612 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.470 Ave N Shift Values>> N :: 116.3(3.95) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.17 L 0.16 F 0.12 Y 0.11 K 0.06 HN Overlap>> 1.A84 1.A84 C Shift Assignments>> C :: 172.757 CA :: 54.493 CB :: 40.378 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.920 HA :: 3.987 HB2 :: 1.391 HB3 :: 1.391 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.771 Ave N Shift Values>> N :: 121.98(4.07) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.32 R 0.22 Q 0.14 H 0.12 K 0.11 E 0.04 I 0.01 M 0.01 C Shift Assignments>> CA :: 54.256 CB :: 27.208 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.086 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.21 Q 0.16 K 0.14 H 0.13 E 0.05 I 0.01 M 0.01 C Shift Assignments>> CA :: 54.674 CB :: 27.524 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.142 HA :: 3.963 HB2 :: 1.819 HB3 :: 1.819 HG2 :: 2.059 HG3 :: 2.059 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.845 Ave N Shift Values>> N :: 120.1(3.88) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.3 G 0.16 D 0.04 F 0.04 K 0.03 Y 0.02 HN Overlap>> 1.G30 1.G30 C Shift Assignments>> CA :: 43.723 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.246 HA2 :: 3.681 HA3 :: 3.681 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.739 Ave N Shift Values>> N :: 109.91(4.29) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 S 0.03 C Shift Assignments>> C :: 176.381 CA :: 60.238 CB :: 68.114 CG2 :: 19.746 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.881 HA :: 4.019 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.022 Ave N Shift Values>> N :: 115.7(5.05) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 Y 0.05 D 0.05 M 0.05 E 0.04 F 0.03 K 0.01 C Shift Assignments>> C :: 175.477 CA :: 51.617 CB :: 36.933 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.306 HA :: 4.425 HB2 :: 2.517 HB3 :: 2.517 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.922 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.27 Q 0.24 R 0.16 E 0.14 M 0.07 L 0.05 K 0.03 I 0.01 HN Overlap>> 1.F22 1.F22 C Shift Assignments>> CA :: 54.448 CB :: 29.204 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.200 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.989 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.09 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 177.074 CA :: 43.438 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.234 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.009 Ave N Shift Values>> N :: 109.91(4.29) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.15 HN Overlap>> 1.L76 1.L76 C Shift Assignments>> C :: 172.760 CA :: 50.910 CB :: 17.577 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.000 HA :: 3.657 HB1 :: 1.112 HB2 :: 1.112 HB3 :: 1.112 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.733 Ave N Shift Values>> N :: 123.23(3.7) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.030 CA :: 56.859 CB :: 62.009 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.161 HA :: 4.062 HB2 :: 3.600 HB3 :: 3.600 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.031 Ave N Shift Values>> N :: 116.3(3.95) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 K 0.35 Q 0.17 M 0.06 HN Overlap>> 1.L69 1.D66 1.L69 1.D66 C Shift Assignments>> C :: 175.001 CA :: 54.038 CB :: 27.650 CG :: 32.095 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.215 HA :: 4.058 HB2 :: 1.879 HB3 :: 1.879 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.275 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.2 C Shift Assignments>> C :: 172.518 CA :: 51.323 CB :: 17.308 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.099 HA :: 3.990 HB1 :: 1.103 HB2 :: 1.103 HB3 :: 1.103 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.989 Ave N Shift Values>> N :: 123.23(3.7) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.3 G 0.12 D 0.05 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 176.636 CA :: 43.576 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.212 HA2 :: 3.657 HA3 :: 3.658 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.008 Ave N Shift Values>> N :: 109.91(4.29) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 M 0.21 R 0.19 K 0.13 Q 0.11 E 0.09 HN Overlap>> 1.M49 1.M49 C Shift Assignments>> C :: 174.423 CA :: 53.769 CB :: 31.229 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.921 HA :: 4.260 HB2 :: 1.745 HB3 :: 1.745 HG2 :: 2.251 HG3 :: 2.251 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.555 Ave N Shift Values>> N :: 120.1(3.88) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.02 C Shift Assignments>> C :: 176.971 CA :: 60.021 CB :: 68.244 CG2 :: 19.996 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.009 HA :: 4.030 HB :: 3.855 HG21 :: 1.832 HG22 :: 1.832 HG23 :: 1.832 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.924 Ave N Shift Values>> N :: 115.7(5.05) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 G 0.13 M 0.13 C Shift Assignments>> C :: 175.258 CA :: 49.010 CB :: 16.334 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.227 HA :: 4.315 HB1 :: 1.085 HB2 :: 1.085 HB3 :: 1.085 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.281 Ave N Shift Values>> N :: 123.23(3.7) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 173.246 CA :: 61.821 CB :: 30.372 CG :: 25.710 CD :: 49.186 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.146 HB2 :: 1.632 HB3 :: 1.993 HD2 :: 3.399 HD3 :: 3.562 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 176.495 CA :: 43.533 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.359 HA2 :: 3.697 HA3 :: 3.696 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.299 Ave N Shift Values>> N :: 109.91(4.29) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.01 HN Overlap>> 1.T73 1.T73 C Shift Assignments>> C :: 176.419 CA :: 60.439 CB :: 68.387 CG2 :: 19.757 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.764 HA :: 4.013 HB :: 3.871 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.961 Ave N Shift Values>> N :: 115.7(5.05) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.24 A 0.16 M 0.1 C Shift Assignments>> C :: 174.605 CA :: 54.499 CB :: 31.344 CG :: 22.958 CD :: 27.389 CE :: 40.329 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.226 HA :: 4.039 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.450 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 L 0.22 R 0.21 HN Overlap>> 1.K4 1.K4 1.A72 1.A72 C Shift Assignments>> C :: 174.907 CA :: 54.450 CB :: 29.246 CG :: 25.505 CD :: 41.612 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.239 HA :: 4.018 HB2 :: 1.498 HB3 :: 1.498 HG2 :: 1.317 HG3 :: 1.317 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.718 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 R 0.36 Q 0.17 M 0.07 C Shift Assignments>> C :: 175.955 CA :: 54.075 CB :: 27.875 CG :: 32.071 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.347 HA :: 4.075 HB2 :: 1.696 HB3 :: 1.804 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.433 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 Y 0.21 F 0.17 E 0.06 V 0.01 C Shift Assignments>> C :: 169.782 CA :: 61.317 CB :: 37.749 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.646 HA :: 3.768 HB :: 1.538 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.191 Ave N Shift Values>> N :: 121.6(4.72) ########################################################################### Overall Results: #Consistent: 98 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 307 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 425 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0