Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.519 CA :: 62.430 CB :: 32.740 CG1 :: 20.944 CG2 :: 20.813 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>> HA :: 4.216 HB :: 2.098 HG11 :: 0.778 HG12 :: 0.778 HG13 :: 0.778 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.773 CA :: 61.613 CB :: 69.980 CG2 :: 21.767 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 :: 8.297 HA :: 4.387 HB :: 4.166 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.565 Ave N Shift Values>> N :: 115.42(4.75) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 175.847 CA :: 45.075 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.840 HA2 :: 3.989 HA3 :: 4.229 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.629 Ave N Shift Values>> N :: 109.67(3.87) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 K 0.19 C 0.1 L 0.1 I 0.06 D 0.04 R 0.02 C Shift Assignments>> C :: 178.030 CA :: 58.629 CB :: 41.342 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 :: 8.953 HA :: 4.456 HB2 :: 2.468 HB3 :: 2.867 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 :: 122.262 Ave N Shift Values>> N :: 120.65(3.86) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.748 CA :: 64.127 CB :: 67.890 CG2 :: 22.811 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 :: 7.746 HA :: 3.982 HB :: 4.537 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 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 :: 104.112 Ave N Shift Values>> N :: 115.42(4.75) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.25 K 0.15 R 0.1 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> C :: 176.194 CA :: 54.186 CB :: 42.195 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 :: 7.589 HA :: 4.819 HB2 :: 2.545 HB3 :: 2.844 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 :: 118.755 Ave N Shift Values>> N :: 120.65(3.86) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.27 K 0.18 R 0.18 M 0.03 E 0.01 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> CA :: 53.515 CB :: 27.590 CG :: 33.351 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 :: 7.745 HA :: 4.597 HB2 :: 2.143 HB3 :: 2.278 HG2 :: 2.356 HG3 :: 2.712 HE21 :: 7.179 HE22 :: 6.920 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.225 NE2 :: 113.640 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 175.416 CA :: 62.300 CB :: 32.998 CG :: 27.526 CD :: 50.381 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 :: 4.398 HB2 :: 1.843 HB3 :: 2.184 HG2 :: 1.897 HG3 :: 2.041 HD2 :: 3.748 HD3 :: 3.748 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.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.789 CA :: 60.454 CB :: 39.402 CG1 :: 28.528 CG2 :: 17.490 CD1 :: 14.464 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 :: 8.554 HA :: 4.792 HB :: 1.679 HG12 :: 0.710 HG13 :: 1.774 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.730 Ave N Shift Values>> N :: 121.46(4.28) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 H 0.33 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.326 CA :: 55.015 CB :: 33.884 CE1 :: 137.719 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 :: 9.269 HA :: 5.483 HB2 :: 2.802 HB3 :: 3.008 HE1 :: 7.602 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 :: 130.110 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 173.141 CA :: 60.250 CB :: 40.726 CG1 :: 28.588 CG2 :: 15.751 CD1 :: 14.214 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 :: 8.595 HA :: 4.856 HB :: 1.068 HG12 :: 1.455 HG13 :: 0.666 HG21 :: -0.350(S) HG22 :: -0.350(S) HG23 :: -0.350(S) HD11 :: 0.365 HD12 :: 0.365 HD13 :: 0.365 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 :: 125.911 Ave N Shift Values>> N :: 121.46(4.28) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.21 E 0.09 C Shift Assignments>> C :: 174.569 CA :: 53.988 CB :: 33.694 CG :: 36.795 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 :: 8.653 HA :: 5.200 HB2 :: 1.729 HB3 :: 1.960 HG2 :: 2.118 HG3 :: 2.118 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 :: 127.623 Ave N Shift Values>> N :: 120.67(3.48) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 S 0.25 C Shift Assignments>> C :: 172.757 CA :: 57.797 CB :: 67.600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.831 HA :: 4.785 HB2 :: 3.826 HB3 :: 4.141 HG :: 4.920 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 :: 114.829 Ave N Shift Values>> N :: 116.28(3.52) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 D 0.08 I 0.06 K 0.06 N 0.01 C Shift Assignments>> C :: 176.205 CA :: 57.820 CB :: 40.511 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 :: 8.663 HA :: 4.713 HB2 :: 2.847 HB3 :: 3.092 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 :: 121.934 Ave N Shift Values>> N :: 120.65(3.86) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 K 0.18 C 0.17 R 0.13 H 0.13 E 0.05 Q 0.04 C Shift Assignments>> C :: 175.886 CA :: 54.731 CB :: 32.385 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 :: 8.467 HA :: 4.778 HB2 :: 2.031 HB3 :: 2.031 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.836 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.28 Q 0.2 K 0.06 HN Overlap>> 1.Y101 1.Y101 1.Q104 1.A42 1.Q104 1.A42 C Shift Assignments>> C :: 173.631 CA :: 54.936 CB :: 31.295 CG :: 32.725 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 :: 8.645 HA :: 5.231 HB2 :: 1.423 HB3 :: 2.014 HG2 :: 1.999 HG3 :: 1.999 HE21 :: 7.144 HE22 :: 6.604 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 :: 122.659 NE2 :: 111.082 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.545 CA :: 57.238 CB :: 64.678 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.392 HA :: 4.543 HB2 :: 3.605 HB3 :: 3.605 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 :: 115.519 Ave N Shift Values>> N :: 116.28(3.52) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.28 G 0.22 R 0.12 C Shift Assignments>> C :: 175.791 CA :: 55.064 CB :: 44.171 CG :: 28.220 CD1 :: 24.386 CD2 :: 25.428 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 :: 8.763 HA :: 4.662 HB2 :: 1.494 HB3 :: 1.672 HG :: 1.648 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.209 Ave N Shift Values>> N :: 121.86(3.9) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.25 K 0.1 N 0.1 F 0.05 R 0.04 C 0.04 Y 0.03 C Shift Assignments>> CA :: 52.824 CB :: 41.855 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 :: 8.509 HA :: 4.793 HB2 :: 2.634 HB3 :: 2.772 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.638 Ave N Shift Values>> N :: 120.65(3.86) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.17 R 0.16 K 0.14 H 0.14 M 0.13 E 0.12 Q 0.07 V 0.02 C Shift Assignments>> C :: 177.812 CA :: 57.264 CB :: 31.567 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>> HA :: 4.230 HB2 :: 2.039 HB3 :: 2.148 HG2 :: 2.527 HG3 :: 2.654 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) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.21 E 0.1 R 0.06 I 0.02 M 0.01 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> C :: 176.754 CA :: 57.328 CB :: 28.045 CG :: 34.380 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 :: 8.474 HA :: 4.148 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 2.353 HG3 :: 2.353 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 :: 117.221 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.121 CA :: 45.193 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.971 HA2 :: 3.847 HA3 :: 3.925 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.321 Ave N Shift Values>> N :: 109.67(3.87) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.15 Y 0.12 C 0.12 F 0.11 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 174.040 CA :: 54.376 CB :: 38.603 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 :: 8.153 HA :: 4.665 HB2 :: 2.814 HB3 :: 3.201 HD21 :: 7.498 HD22 :: 6.829 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.490 ND2 :: 112.403 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 HN Overlap>> 1.Q7 1.Q7 C Shift Assignments>> C :: 174.871 CA :: 61.581 CB :: 34.974 CG1 :: 21.120 CG2 :: 21.436 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 :: 7.812 HA :: 4.896 HB :: 1.764 HG11 :: 0.750 HG12 :: 0.750 HG13 :: 0.750 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 120.185 Ave N Shift Values>> N :: 121.14(4.54) 1.V25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 172.392 CA :: 59.658 CB :: 34.034 CG1 :: 20.841 CG2 :: 20.771 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 :: 8.528 HA :: 4.617 HB :: 1.380 HG11 :: -0.031(S) HG12 :: -0.031(S) HG13 :: -0.031(S) HG21 :: 0.062 HG22 :: 0.062 HG23 :: 0.062 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 :: 126.554 Ave N Shift Values>> N :: 121.14(4.54) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.133 CA :: 61.749 CB :: 70.026 CG2 :: 21.363 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 :: 8.159 HA :: 4.834 HB :: 3.711 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 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 :: 121.304 Ave N Shift Values>> N :: 115.42(4.75) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.33 C 0.23 C Shift Assignments>> C :: 175.210 CA :: 56.423 CB :: 41.325 CD1 :: 133.689 CE1 :: 130.453 CZ :: 129.225 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 :: 10.045 HA :: 5.097 HB2 :: 2.837 HB3 :: 3.154 HD1 :: 7.078 HD2 :: 7.078 HE1 :: 6.582 HE2 :: 6.582 HZ :: 6.344 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 :: 128.184 Ave N Shift Values>> N :: 120.45(4.18) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.46 C Shift Assignments>> C :: 173.850 CA :: 60.337 CB :: 72.517 CG2 :: 22.501 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 :: 8.338 HA :: 5.171 HB :: 4.166 HG21 :: 1.127 HG22 :: 1.127 HG23 :: 1.127 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.015 Ave N Shift Values>> N :: 115.42(4.75) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 172.913 CA :: 46.692 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.233 HA2 :: 3.651 HA3 :: 4.375 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.395 Ave N Shift Values>> N :: 109.67(3.87) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.16 Y 0.09 F 0.07 D 0.06 E 0.06 M 0.04 L 0.01 C Shift Assignments>> C :: 173.959 CA :: 53.808 CB :: 37.610 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.597 HA :: 4.303 HB2 :: 2.573 HB3 :: 2.865 HD21 :: 7.768 HD22 :: 6.769 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.806 ND2 :: 112.375 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V31 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 :: 177.050 CA :: 62.971 CB :: 31.468 CG1 :: 22.961 CG2 :: 20.939 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 :: 8.512 HA :: 4.477 HB :: 1.919 HG11 :: 0.687 HG12 :: 0.687 HG13 :: 0.687 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 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 :: 120.526 Ave N Shift Values>> N :: 121.14(4.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.750 CA :: 60.655 CB :: 40.776 CG1 :: 27.235 CG2 :: 17.662 CD1 :: 13.657 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 :: 8.913 HA :: 4.921 HB :: 1.615 HG13 :: 1.442 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.899 Ave N Shift Values>> N :: 121.46(4.28) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 V 0.3 K 0.1 Q 0.06 M 0.05 R 0.04 P 0.03 H 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 174.861 CA :: 60.552 CB :: 33.248 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.506 HA :: 4.792 HB :: 2.154 HG11 :: 0.743 HG12 :: 0.743 HG13 :: 0.743 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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 :: 130.753 Ave N Shift Values>> N :: 121.14(4.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.33 C Shift Assignments>> C :: 173.818 CA :: 59.802 CB :: 71.844 CG2 :: 22.198 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.587 HA :: 5.431 HB :: 4.132 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 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 :: 119.633 Ave N Shift Values>> N :: 115.42(4.75) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.25 C 0.22 M 0.13 R 0.06 C Shift Assignments>> C :: 175.416 CA :: 55.155 CB :: 29.347 CG :: 32.724 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 :: 8.468 HA :: 4.670 HB2 :: 2.330 HB3 :: 2.330 HG2 :: 2.094 HG3 :: 2.094 HE21 :: 7.562 HE22 :: 6.589 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 :: 124.897 NE2 :: 108.484 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.977 CA :: 46.863 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.291 HA2 :: 3.602 HA3 :: 4.324 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.002 Ave N Shift Values>> N :: 109.67(3.87) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.988 CA :: 63.072 CB :: 69.681 CG2 :: 21.938 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.698 HA :: 4.344 HB :: 4.447 HG21 :: 1.415 HG22 :: 1.415 HG23 :: 1.415 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 :: 121.710 Ave N Shift Values>> N :: 115.42(4.75) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 177.022 CA :: 62.087 CB :: 37.436 CG1 :: 29.029 CG2 :: 15.974 CD1 :: 13.876 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 :: 8.152 HA :: 4.532 HB :: 2.318 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.151 Ave N Shift Values>> N :: 121.46(4.28) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.45 R 0.04 C Shift Assignments>> C :: 176.396 CA :: 54.778 CB :: 35.887 CG :: 24.455 CD :: 28.847 CE :: 41.775 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 :: 8.925 HA :: 5.338 HB2 :: 1.503 HB3 :: 1.503 HG2 :: 1.147 HG3 :: 1.147 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.103 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.22 G 0.03 C Shift Assignments>> C :: 174.264 CA :: 59.432 CB :: 42.474 CG1 :: 28.493 CG2 :: 15.522 CD1 :: 12.790 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.487 HA :: 5.169 HB :: 1.537 HG12 :: 1.231 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 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 :: 128.225 Ave N Shift Values>> N :: 121.46(4.28) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.33 L 0.13 C 0.05 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 173.453 CA :: 51.802 CB :: 40.628 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 :: 8.304 HA :: 5.686 HB2 :: 2.664 HB3 :: 2.916 HD21 :: 7.240 HD22 :: 6.597 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.246 ND2 :: 111.076 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.25 C 0.09 HN Overlap>> 1.Q16 1.Q104 1.Q16 1.Q104 C Shift Assignments>> C :: 174.594 CA :: 51.189 CB :: 22.109 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.649 HA :: 4.789 HB1 :: 1.280 HB2 :: 1.280 HB3 :: 1.280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.757 Ave N Shift Values>> N :: 123.23(3.54) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.22 R 0.16 F 0.12 D 0.1 Y 0.08 C 0.06 C Shift Assignments>> C :: 176.182 CA :: 56.771 CB :: 42.338 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 :: 8.420 HA :: 4.918 HB2 :: 2.746 HB3 :: 2.902 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 :: 118.725 Ave N Shift Values>> N :: 120.65(3.86) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.14 G 0.01 C Shift Assignments>> C :: 174.595 CA :: 54.663 CB :: 35.914 CG :: 24.707 CD :: 29.603 CE :: 42.263 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 :: 7.994 HA :: 5.468 HB2 :: 1.756 HB3 :: 1.912 HG2 :: 1.447 HG3 :: 1.447 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 :: 119.410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.11 C Shift Assignments>> C :: 173.222 CA :: 59.928 CB :: 36.677 CG1 :: 23.482 CG2 :: 22.073 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.714 HA :: 5.617 HB :: 1.948 HG11 :: 0.826 HG12 :: 0.826 HG13 :: 0.826 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.287 Ave N Shift Values>> N :: 121.14(4.54) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.49 C Shift Assignments>> C :: 176.083 CA :: 60.968 CB :: 34.667 CG2 :: 21.390 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.788 HA :: 4.978 HB :: 2.192 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 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 :: 129.125 Ave N Shift Values>> N :: 121.14(4.54) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 173.944 CA :: 60.883 CB :: 32.657 CG1 :: 20.989 CG2 :: 21.960 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.253 HA :: 5.138 HB :: 1.778 HG11 :: 0.680 HG12 :: 0.680 HG13 :: 0.680 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 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 :: 129.813 Ave N Shift Values>> N :: 121.14(4.54) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 173.629 CA :: 60.413 CB :: 71.735 CG2 :: 21.297 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 :: 8.667 HA :: 4.987 HB :: 3.998 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.700 Ave N Shift Values>> N :: 115.42(4.75) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.31 K 0.22 G 0.03 C Shift Assignments>> CA :: 53.233 CB :: 31.090 CD :: 42.554 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 :: 8.645 HA :: 4.672 HB2 :: 1.757 HB3 :: 1.872 HG2 :: 1.274 HG3 :: 1.274 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.783 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.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 64.055 CB :: 31.407 CG :: 27.672 CD :: 50.811 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 :: 4.314 HB2 :: 1.878 HB3 :: 2.256 HG2 :: 1.903 HG3 :: 2.129 HD2 :: 3.721 HD3 :: 3.613 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.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.856 CA :: 45.806 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.870 HA3 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.946 CA :: 45.877 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.411 HA2 :: 3.502 HA3 :: 4.035 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.956 Ave N Shift Values>> N :: 109.67(3.87) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 K 0.09 M 0.07 Q 0.07 I 0.02 C Shift Assignments>> C :: 174.630 CA :: 56.287 CB :: 29.945 CG :: 36.140 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 :: 7.280 HA :: 4.127 HB2 :: 1.820 HB3 :: 1.820 HG2 :: 2.010 HG3 :: 2.177 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 :: 120.885 Ave N Shift Values>> N :: 120.67(3.48) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.28 K 0.24 R 0.09 E 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 177.118 CA :: 57.171 CB :: 28.161 CG :: 33.874 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 :: 8.507 HA :: 4.005 HB2 :: 1.942 HB3 :: 1.942 HG2 :: 2.244 HG3 :: 2.244 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 :: 126.104 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.298 CA :: 45.005 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.387 HA2 :: 3.935 HA3 :: 4.295 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.252 Ave N Shift Values>> N :: 109.67(3.87) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.13 C Shift Assignments>> C :: 175.847 CA :: 53.903 CB :: 31.363 CG :: 24.863 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 :: 7.211 HA :: 4.654 HB2 :: 1.686 HB3 :: 2.024 HG2 :: 1.064 HG3 :: 1.274 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 :: 117.631 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.35 E 0.22 K 0.02 HN Overlap>> 1.Q21 1.Q21 C Shift Assignments>> C :: 175.906 CA :: 59.228 CB :: 28.365 CG :: 37.239 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 :: 8.534 HA :: 4.718 HB2 :: 1.643 HB3 :: 2.219 HG2 :: 2.464 HG3 :: 2.464 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 :: 117.231 Ave N Shift Values>> N :: 120.67(3.48) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 174.380 CA :: 60.999 CB :: 34.879 CG1 :: 22.419 CG2 :: 21.051 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 :: 8.675 HA :: 4.487 HB :: 1.885 HG11 :: 0.641 HG12 :: 0.641 HG13 :: 0.641 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 120.547 Ave N Shift Values>> N :: 121.14(4.54) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.002 CA :: 60.438 CB :: 40.589 CG1 :: 27.846 CG2 :: 16.769 CD1 :: 13.758 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 :: 8.617 HA :: 4.735 HB :: 1.872 HG12 :: 0.972 HG13 :: 1.496 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 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 :: 125.044 Ave N Shift Values>> N :: 121.46(4.28) 1.D60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.76 L 0.15 C 0.03 R 0.02 D 0.01 C Shift Assignments>> C :: 174.859 CA :: 53.369 CB :: 45.189 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 :: 9.178 HA :: 6.009(S) HB2 :: 2.376 HB3 :: 2.620 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.428 Ave N Shift Values>> N :: 120.65(3.86) 1.G61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.3 L 0.3 G 0.21 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.780 CA :: 43.900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.575 HA2 :: 2.940 HA3 :: 5.471(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.820 Ave N Shift Values>> N :: 109.67(3.87) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.24 F 0.23 C Shift Assignments>> C :: 175.683 CA :: 56.415 CB :: 41.203 CD1 :: 133.653 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.241 HA :: 5.557 HB2 :: 2.882 HB3 :: 3.336 HD1 :: 7.121 HD2 :: 7.121 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.859 Ave N Shift Values>> N :: 120.52(4.2) 1.G63 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 :: 170.496 CA :: 45.493 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.840 HA2 :: 3.857 HA3 :: 4.553 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.087 Ave N Shift Values>> N :: 109.67(3.87) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.3 R 0.07 G 0.01 A 0.01 C Shift Assignments>> CA :: 53.278 CB :: 32.862 CG :: 24.275 CD :: 29.480 CE :: 42.191 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.758 HA :: 4.952 HB2 :: 1.651 HB3 :: 1.651 HG2 :: 1.377 HG3 :: 1.424 HD2 :: 1.840 HD3 :: 1.840 HE2 :: 3.012 HE3 :: 3.012 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 :: 119.033 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 A 0.07 C Shift Assignments>> C :: 178.316 CA :: 62.971 CB :: 33.219 CG :: 23.039(S) CD :: 50.168 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 :: 4.423 HB2 :: 2.101 HB3 :: 2.404 HG2 :: 1.424 HG3 :: 1.496 HD2 :: 3.412 HD3 :: 3.354 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.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C 0.01 C Shift Assignments>> C :: 177.350 CA :: 52.142 CB :: 18.689 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.501 HA :: 4.841 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.073 Ave N Shift Values>> N :: 123.23(3.54) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 172.454 CA :: 60.598 CB :: 72.001 CG2 :: 20.988 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 :: 8.974 HA :: 5.350 HB :: 4.540 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.905 Ave N Shift Values>> N :: 115.42(4.75) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 Y 0.21 C 0.18 F 0.16 C Shift Assignments>> C :: 172.347 CA :: 56.884 CB :: 44.080 CD1 :: 130.065 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 :: 8.769 HA :: 5.102 HB2 :: 2.207 HB3 :: 3.087 HD1 :: 6.603 HD2 :: 6.603 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 :: 121.295 Ave N Shift Values>> N :: 120.45(4.18) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.26 G 0.14 C Shift Assignments>> C :: 172.275 CA :: 56.253 CB :: 43.092 CD1 :: 133.578 CE1 :: 117.603 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 :: 7.638 HA :: 5.064 HB2 :: 2.666 HB3 :: 2.959 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.591 HE2 :: 6.591 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 :: 131.562 Ave N Shift Values>> N :: 120.52(4.2) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.29 Q 0.23 E 0.04 K 0.03 C Shift Assignments>> C :: 173.277 CA :: 55.719 CB :: 31.567 CG :: 33.509 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 :: 7.639 HA :: 4.000 HB2 :: 1.631 HB3 :: 1.631 HE21 :: 8.445 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 :: 123.728 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 H 0.18 R 0.17 C 0.16 K 0.11 Q 0.08 E 0.07 C Shift Assignments>> C :: 175.415 CA :: 53.991 CB :: 31.431 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 :: 8.377 HA :: 4.548 HB2 :: 2.099 HB3 :: 2.333 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 :: 124.118 Ave N Shift Values>> N :: 120.09(3.57) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.34 K 0.07 M 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 177.904 CA :: 56.139 CB :: 29.732 CG :: 36.570 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 :: 7.920 HA :: 4.316 HB2 :: 1.957 HB3 :: 2.050 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 :: 124.231 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.18 L 0.14 C 0.1 N 0.05 K 0.03 I 0.03 C Shift Assignments>> C :: 176.310 CA :: 56.402 CB :: 40.238 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 :: 9.104 HA :: 4.358 HB2 :: 2.645 HB3 :: 2.693 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 :: 121.586 Ave N Shift Values>> N :: 120.65(3.86) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.16 Y 0.06 E 0.05 M 0.04 F 0.04 D 0.04 L 0.01 C Shift Assignments>> C :: 176.353 CA :: 52.969 CB :: 37.248 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.754 HA :: 4.494 HB2 :: 2.786 HB3 :: 3.119 HD21 :: 7.446 HD22 :: 6.536 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 :: 115.041 ND2 :: 109.026 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 HN Overlap>> 1.G111 1.G111 C Shift Assignments>> C :: 173.750 CA :: 45.738 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.263 HA2 :: 3.797 HA3 :: 4.124 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.678 Ave N Shift Values>> N :: 109.67(3.87) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.27 R 0.12 G 0.06 C Shift Assignments>> CA :: 52.212 CB :: 32.998 CG :: 24.865 CD :: 29.079 CE :: 42.626 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 :: 7.681 HA :: 4.810 HB2 :: 1.776 HB3 :: 1.776 HG2 :: 1.552 HG3 :: 1.552 HD2 :: 1.634 HD3 :: 1.634 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 :: 120.863 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 177.323 CA :: 62.485 CB :: 32.910 CG :: 26.782 CD :: 50.382 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 :: 4.949 HB2 :: 1.510 HB3 :: 1.959 HG2 :: 2.042 HG3 :: 2.042 HD2 :: 3.699 HD3 :: 3.699 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.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 HN Overlap>> 1.T115 1.T115 C Shift Assignments>> C :: 172.868 CA :: 59.841 CB :: 33.913 CG1 :: 20.525 CG2 :: 21.605 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 :: 8.816 HA :: 4.785 HB :: 1.629 HG11 :: 0.599 HG12 :: 0.599 HG13 :: 0.599 HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 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 :: 121.883 Ave N Shift Values>> N :: 121.14(4.54) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 M 0.08 E 0.03 C Shift Assignments>> C :: 175.438 CA :: 54.044 CB :: 34.360 CG :: 37.367 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 :: 8.192 HA :: 5.396 HB2 :: 1.994 HB3 :: 2.176 HG2 :: 2.187 HG3 :: 2.333 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 :: 121.936 Ave N Shift Values>> N :: 120.67(3.48) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 172.229 CA :: 45.948 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.286 HA2 :: 4.129 HA3 :: 4.891 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.068 Ave N Shift Values>> N :: 109.67(3.87) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 H 0.49 C Shift Assignments>> C :: 172.106 CA :: 54.936 CB :: 32.683 CE1 :: 138.075 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 :: 9.004 HA :: 5.499 HB2 :: 3.124 HB3 :: 3.304 HE1 :: 7.448 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 :: 116.406 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.24 C 0.13 K 0.05 C Shift Assignments>> C :: 175.890 CA :: 52.146 CB :: 22.917 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.700 HA :: 4.686 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.510 Ave N Shift Values>> N :: 123.23(3.54) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.155 CA :: 61.851 CB :: 63.487 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.204 HA :: 4.952 HB2 :: 4.274 HB3 :: 4.351 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 :: 117.379 Ave N Shift Values>> N :: 116.28(3.52) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 H 0.17 R 0.16 C 0.16 K 0.12 Q 0.07 E 0.07 C Shift Assignments>> C :: 174.267 CA :: 54.005 CB :: 31.563 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 :: 8.657 HA :: 5.357 HB2 :: 1.859 HB3 :: 2.004 HG2 :: 2.176 HG3 :: 2.176 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 :: 118.877 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.38 E 0.07 Q 0.05 C Shift Assignments>> C :: 174.421 CA :: 53.096 CB :: 35.110 CG :: 32.860 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 :: 9.006 HA :: 5.205 HB2 :: 1.555 HB3 :: 1.608 HG2 :: 2.262 HG3 :: 2.385 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.039 Ave N Shift Values>> N :: 120.09(3.57) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.18 C 0.14 M 0.14 Q 0.12 E 0.11 K 0.09 C Shift Assignments>> C :: 172.216 CA :: 54.800 CB :: 30.874 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.905 HA :: 5.616 HB2 :: 3.066 HB3 :: 3.323 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 :: 124.020 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 Y 0.28 C Shift Assignments>> C :: 173.684 CA :: 52.907 CB :: 38.890 CD1 :: 130.369 CE1 :: 117.173 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.778 HA :: 5.604 HB2 :: 2.585 HB3 :: 3.314 HD1 :: 6.760 HD2 :: 6.760 HE1 :: 6.406 HE2 :: 6.406 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 :: 131.025 Ave N Shift Values>> N :: 120.52(4.2) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 K 0.14 Q 0.11 I 0.03 M 0.01 R 0.01 C Shift Assignments>> C :: 175.524 CA :: 55.425 CB :: 28.498 CG :: 36.036 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 :: 8.270 HA :: 4.319 HB2 :: 1.430 HB3 :: 1.902 HG2 :: 2.023 HG3 :: 2.023 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 :: 127.093 Ave N Shift Values>> N :: 120.67(3.48) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.29 C Shift Assignments>> C :: 179.725 CA :: 58.123 CB :: 40.031 CG :: 27.565 CD1 :: 22.379 CD2 :: 25.231 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 :: 7.304 HA :: 3.811 HB2 :: 1.444 HB3 :: 1.608 HG :: 1.190 HD11 :: 0.102 HD12 :: 0.102 HD13 :: 0.102 HD21 :: 0.511 HD22 :: 0.511 HD23 :: 0.511 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.144 Ave N Shift Values>> N :: 121.86(3.9) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.26 C 0.02 C Shift Assignments>> C :: 179.003 CA :: 54.082 CB :: 18.881 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.627 HA :: 4.145 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.205 Ave N Shift Values>> N :: 123.23(3.54) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.48 C Shift Assignments>> C :: 174.852 CA :: 54.193 CB :: 34.224 CG :: 24.863 CD :: 28.806 CE :: 40.635 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.926 HA :: 4.419 HB2 :: 1.228 HB3 :: 1.716 HG2 :: 1.017 HG3 :: 1.130 HE2 :: 2.885 HE3 :: 2.885 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 112.736 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.2 F 0.15 Y 0.12 K 0.09 C 0.07 N 0.06 I 0.01 C Shift Assignments>> C :: 175.395 CA :: 55.608 CB :: 40.830 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 :: 7.740 HA :: 4.341 HB2 :: 2.788 HB3 :: 2.980 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 :: 114.509 Ave N Shift Values>> N :: 120.65(3.86) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.21 K 0.16 D 0.13 F 0.08 Y 0.05 C 0.05 G 0.01 C Shift Assignments>> C :: 172.336 CA :: 55.741 CB :: 42.634 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 :: 7.503 HA :: 5.620 HB2 :: 3.015 HB3 :: 3.015 HD1 :: 6.807 HD2 :: 6.807 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 :: 112.507 Ave N Shift Values>> N :: 120.45(4.18) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 HN Overlap>> 1.V105 1.V105 C Shift Assignments>> C :: 173.430 CA :: 59.364 CB :: 34.974 CG1 :: 20.357 CG2 :: 21.207 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.251 HA :: 5.162 HB :: 1.455 HG11 :: 0.360 HG12 :: 0.360 HG13 :: 0.360 HG21 :: 0.368 HG22 :: 0.368 HG23 :: 0.368 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 :: 121.623 Ave N Shift Values>> N :: 121.14(4.54) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 176.137 CA :: 60.931 CB :: 33.611 CG1 :: 21.451 CG2 :: 21.419 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.404 HA :: 4.716 HB :: 2.023 HG11 :: 0.773 HG12 :: 0.773 HG13 :: 0.773 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 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 :: 126.454 Ave N Shift Values>> N :: 121.14(4.54) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.32 K 0.12 L 0.04 G 0.02 C Shift Assignments>> C :: 175.169 CA :: 55.394 CB :: 42.607 CG :: 29.437 CD1 :: 25.109 CD2 :: 27.439 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.747 HA :: 4.934 HB2 :: 1.431 HB3 :: 1.431 HG :: 1.462 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 HD21 :: 0.543 HD22 :: 0.543 HD23 :: 0.543 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 :: 134.353 Ave N Shift Values>> N :: 121.86(3.9) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 173.917 CA :: 60.812 CB :: 71.491 CG2 :: 21.934 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 :: 8.938 HA :: 5.171 HB :: 3.973 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.683 Ave N Shift Values>> N :: 115.42(4.75) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.902 CA :: 46.018 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.785 HA2 :: 3.683 HA3 :: 4.357 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.568 Ave N Shift Values>> N :: 109.67(3.87) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.18 E 0.1 Y 0.09 F 0.07 M 0.05 D 0.04 L 0.01 C Shift Assignments>> C :: 174.435 CA :: 53.986 CB :: 37.290 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.528 HA :: 4.240 HB2 :: 2.758 HB3 :: 2.992 HD21 :: 7.562 HD22 :: 6.917 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.950 ND2 :: 113.226 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 L 0.2 C 0.07 C Shift Assignments>> C :: 177.304 CA :: 52.211 CB :: 21.588 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.546 HA :: 4.861 HB1 :: 1.078 HB2 :: 1.078 HB3 :: 1.078 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.585 Ave N Shift Values>> N :: 123.23(3.54) 1.Y101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.72 C 0.25 G 0.01 HN Overlap>> 1.Q16 1.Q104 1.Q16 1.Q104 C Shift Assignments>> C :: 173.051 CA :: 56.507 CB :: 42.069 CD1 :: 133.211 CE1 :: 117.603 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.558 HA :: 5.062 HB2 :: 1.672(S) HB3 :: 2.602 HD1 :: 6.844 HD2 :: 6.844 HE1 :: 6.650 HE2 :: 6.650 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 :: 122.617 Ave N Shift Values>> N :: 120.52(4.2) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.25 L 0.2 A 0.03 C Shift Assignments>> C :: 173.474 CA :: 54.151 CB :: 47.305 CG :: 26.771 CD1 :: 23.995 CD2 :: 25.764 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 :: 8.221 HA :: 4.592 HB2 :: 0.973 HB3 :: 1.432 HG :: 1.143 HD11 :: 0.389 HD12 :: 0.389 HD13 :: 0.389 HD21 :: 0.446 HD22 :: 0.446 HD23 :: 0.446 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 :: 125.583 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.31 Q 0.14 E 0.03 C Shift Assignments>> C :: 173.941 CA :: 54.530 CB :: 32.453 CG :: 33.891 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.129 HA :: 4.874 HB2 :: 1.999 HB3 :: 1.999 HG2 :: 2.381 HG3 :: 2.381 HE21 :: 7.648 HE22 :: 6.939 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 :: 123.671 NE2 :: 113.539 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.31 Q 0.12 E 0.09 HN Overlap>> 1.Y101 1.Q16 1.Y101 1.Q16 1.A42 1.A42 C Shift Assignments>> C :: 175.738 CA :: 54.789 CB :: 32.372 CG :: 34.597 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 :: 8.561 HA :: 4.764 HB2 :: 1.904 HB3 :: 2.212 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 :: 122.718 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.V94 1.V94 C Shift Assignments>> C :: 175.742 CA :: 65.769 CB :: 30.341 CG1 :: 21.225 CG2 :: 21.620 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.251 HA :: 3.671 HB :: 2.252 HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 121.733 Ave N Shift Values>> N :: 121.14(4.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.12 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.750 CA :: 54.017 CB :: 41.105 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 :: 8.383 HA :: 4.700 HB2 :: 2.687 HB3 :: 2.807 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 :: 118.199 Ave N Shift Values>> N :: 120.65(3.86) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.010 CA :: 58.119 CB :: 64.747 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.537 HA :: 4.653 HB2 :: 3.722 HB3 :: 3.722 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.547 Ave N Shift Values>> N :: 116.28(3.52) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.12 K 0.09 F 0.05 C 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 172.875 CA :: 52.744 CB :: 41.676 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 :: 8.483 HA :: 5.224 HB2 :: 2.535 HB3 :: 2.718 HD21 :: 7.454 HD22 :: 6.736 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.117 ND2 :: 114.192 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 172.106 CA :: 59.905 CB :: 41.514 CG1 :: 27.217 CG2 :: 17.915 CD1 :: 13.424 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 :: 8.564 HA :: 4.438 HB :: 1.637 HG12 :: 1.111 HG13 :: 1.411 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 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 :: 119.630 Ave N Shift Values>> N :: 121.46(4.28) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.37 R 0.12 G 0.01 C Shift Assignments>> C :: 175.854 CA :: 54.137 CB :: 36.132 CG :: 24.610 CD :: 29.705 CE :: 42.138 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 :: 7.962 HA :: 5.263 HB2 :: 1.809 HB3 :: 1.875 HG2 :: 1.442 HG3 :: 1.442 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.945 HE3 :: 2.945 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 :: 121.916 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G75 1.G75 C Shift Assignments>> CA :: 45.602 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.260 HA2 :: 4.033 HA3 :: 4.134 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.648 Ave N Shift Values>> N :: 109.67(3.87) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.24 L 0.19 F 0.15 D 0.11 Y 0.11 C 0.06 R 0.06 I 0.01 C Shift Assignments>> C :: 176.304 CA :: 56.913 CB :: 41.745 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>> HA :: 4.685 HB2 :: 2.622 HB3 :: 2.752 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) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.41 R 0.07 C Shift Assignments>> C :: 175.050 CA :: 55.512 CB :: 35.246 CG :: 24.712 CD :: 29.501 CE :: 41.832 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 :: 7.621 HA :: 5.263 HB2 :: 1.513 HB3 :: 1.513 HG2 :: 1.121 HG3 :: 1.121 HD2 :: 1.579 HD3 :: 1.579 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 :: 117.651 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.29 G 0.13 C Shift Assignments>> C :: 173.930 CA :: 60.399 CB :: 43.254 CG1 :: 26.750 CG2 :: 17.473 CD1 :: 14.847 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.123 HA :: 4.405 HB :: 1.456 HG12 :: 0.768 HG13 :: 1.184 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 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 :: 125.590 Ave N Shift Values>> N :: 121.46(4.28) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 172.473 CA :: 61.885 CB :: 69.625 CG2 :: 21.401 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 :: 8.866 HA :: 4.904 HB :: 3.858 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 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 :: 121.849 Ave N Shift Values>> N :: 115.42(4.75) 1.Y116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.4 C 0.17 C Shift Assignments>> C :: 172.918 CA :: 56.571 CB :: 40.742 CD1 :: 132.266 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.365 HA :: 4.778 HB2 :: 2.287 HB3 :: 2.287 HD1 :: 6.391 HD2 :: 6.391 HE1 :: 6.672 HE2 :: 6.672 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.390 Ave N Shift Values>> N :: 120.52(4.2) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.29 C Shift Assignments>> C :: 176.423 CA :: 54.323 CB :: 40.275 CG :: 27.241 CD1 :: 25.267 CD2 :: 25.377 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 :: 8.197 HA :: 4.532 HB2 :: 2.013 HB3 :: 2.013 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 HD21 :: 0.769 HD22 :: 0.769 HD23 :: 0.769 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 :: 129.035 Ave N Shift Values>> N :: 121.86(3.9) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.696 CA :: 64.065 CB :: 32.248 CG1 :: 20.760 CG2 :: 22.652 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.485 HA :: 3.813 HB :: 1.988 HG11 :: 0.785 HG12 :: 0.785 HG13 :: 0.785 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.916 Ave N Shift Values>> N :: 121.14(4.54) 2.4FO11 Overall Status: Residue type 4FO not supported. 2.EU01 Overall Status: Residue type EU0 not supported. 2.HYP2 Overall Status: Residue type HYP not supported. 2.I3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.962 HA :: 4.844 HB :: 2.203 HG12 :: 0.862 HG13 :: 1.950 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 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) 2.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.715 HA :: 4.994 HB :: 3.969 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 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) 2.Y5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.882 HA :: 5.880 HB2 :: 2.420 HB3 :: 2.839 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.661 HE2 :: 6.661 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) 2.N7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.292 HA :: 5.062 HB2 :: 2.846 HB3 :: 3.338 HD21 :: 8.182 HD22 :: 6.964 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) 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.882 HA :: 4.148 HB2 :: 1.800 HB3 :: 1.822 HG2 :: 1.501 HG3 :: 1.634 HD2 :: 3.176 HD3 :: 3.176 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) 2.DAB9 Overall Status: Residue type DAB not supported. 2.T10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.261 HA :: 4.444 HB :: 4.386 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 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) 2.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.869 HA :: 4.514 HB2 :: 1.799 HB3 :: 1.846 HG2 :: 1.360 HG3 :: 1.436 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 3.005 HE3 :: 3.005 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) 2.C13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.871 HA :: 5.811 HB2 :: 2.717 HB3 :: 2.858 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) 2.DAB14 Overall Status: Residue type DAB not supported. 2.R15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.372 HA :: 4.941 HB2 :: 1.692 HB3 :: 1.758 HG2 :: 1.582 HG3 :: 1.582 HD2 :: 3.191 HD3 :: 3.191 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) 2.LE16 Overall Status: Residue type LE1 not supported. 2.Y16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.888 HB2 :: 2.771 HB3 :: 2.993 HD1 :: 6.987 HD2 :: 6.987 HE1 :: 6.420 HE2 :: 6.420 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) ########################################################################### Overall Results: #Consistent: 122 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 0 C Shift Results: #Consistent: 467 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 824 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I11 HG21 = -0.350(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.3518e-05 1.I11 HG22 = -0.350(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.3518e-05 1.I11 HG23 = -0.350(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.3518e-05 1.V25 HG11 = -0.031(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2784e-04 1.V25 HG12 = -0.031(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2784e-04 1.V25 HG13 = -0.031(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2784e-04 1.D60 HA = 6.009(S), Expected = 4.59, Std = 0.3200, ChiSquare = 9.2340e-06 1.G61 HA3 = 5.471(S), Expected = 3.90, Std = 0.3700, ChiSquare = 2.1767e-05 1.P65 CG = 23.039(S), Expected = 27.17, Std = 1.0900, ChiSquare = 1.5070e-04 1.Y101 HB2 = 1.672(S), Expected = 2.91, Std = 0.3700, ChiSquare = 8.2002e-04