Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.79 A 0.2 C Shift Assignments>> C :: 175.646 CA :: 55.410 CB :: 32.995 CG :: 31.703 CE :: 16.810 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 :: 4.447 HB2 :: 1.996 HB3 :: 1.942 HG2 :: 2.462 HG3 :: 2.462 HE1 :: 2.042 HE2 :: 2.042 HE3 :: 2.042 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.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> C :: 175.865 CA :: 62.265 CB :: 32.762 CG1 :: 21.019 CG2 :: 20.416 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 :: 8.347 HA :: 4.102 HB :: 2.017 HG11 :: 0.878 HG12 :: 0.878 HG13 :: 0.878 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.762 Ave N Shift Values>> N :: 121.14(4.54) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> C :: 174.220 CA :: 58.024 CB :: 63.837 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.401 HA :: 4.442 HB2 :: 3.780 HB3 :: 3.780 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 :: 120.011 Ave N Shift Values>> N :: 116.28(3.52) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L67 1.L67 C Shift Assignments>> C :: 175.756 CA :: 62.069 CB :: 32.647 CG1 :: 20.265 CG2 :: 20.265 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 :: 8.170 HA :: 4.100 HB :: 2.015 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.419 Ave N Shift Values>> N :: 121.14(4.54) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.08 C Shift Assignments>> CA :: 54.110 CB :: 32.626 CG :: 24.546 CD :: 29.064 CE :: 41.489 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 :: 8.288 HA :: 4.554 HB2 :: 1.771 HB3 :: 1.661 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.907 HE3 :: 2.907 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.526 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.523 CA :: 62.883 CB :: 32.102 CG :: 27.261 CD :: 50.577 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 :: 4.343 HB2 :: 2.218 HB3 :: 1.823 HG2 :: 1.960 HG3 :: 1.960 HD2 :: 3.783 HD3 :: 3.606 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.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.07 R 0.01 C Shift Assignments>> CA :: 53.009 CB :: 41.574 CG :: 27.050 CD1 :: 25.186 CD2 :: 23.237 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 :: 8.219 HA :: 4.529 HB2 :: 1.550 HB3 :: 1.550 HG :: 1.681 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.367 Ave N Shift Values>> N :: 121.86(3.9) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.451 CA :: 63.116 CB :: 32.078 CG :: 27.261 CD :: 50.408 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 :: 4.335 HB2 :: 2.220 HB3 :: 1.824 HG2 :: 1.960 HG3 :: 1.960 HD2 :: 3.767 HD3 :: 3.607 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.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.12 F 0.1 K 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.304 CA :: 54.315 CB :: 41.064 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 :: 8.324 HA :: 4.539 HB2 :: 2.679 HB3 :: 2.541 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.273 Ave N Shift Values>> N :: 120.65(3.86) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.865 CA :: 61.277 CB :: 38.967 CG1 :: 27.101 CG2 :: 17.438 CD1 :: 13.096 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.999 HA :: 4.117 HB :: 1.823 HG12 :: 1.395 HG13 :: 1.140 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 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 :: 120.298 Ave N Shift Values>> N :: 121.46(4.28) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.194 CA :: 54.305 CB :: 41.173 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 :: 8.359 HA :: 4.606 HB2 :: 2.693 HB3 :: 2.568 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 :: 123.836 Ave N Shift Values>> N :: 120.65(3.86) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.378 CA :: 58.478 CB :: 63.774 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.166 HA :: 4.354 HB2 :: 3.860 HB3 :: 3.804 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.514 Ave N Shift Values>> N :: 116.28(3.52) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.27 C Shift Assignments>> C :: 175.256 CA :: 53.335 CB :: 38.918 CG :: 177.219 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 :: 8.505 HA :: 4.679 HB2 :: 2.803 HB3 :: 2.743 HD21 :: 7.624 HD22 :: 6.856 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 :: 120.909 ND2 :: 113.312 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.12 M 0.11 Q 0.1 I 0.05 C Shift Assignments>> C :: 177.116 CA :: 57.048 CB :: 30.043 CG :: 36.181 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 :: 8.354 HA :: 4.203 HB2 :: 2.002 HB3 :: 1.892 HG2 :: 2.211 HG3 :: 2.211 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 :: 121.200 Ave N Shift Values>> N :: 120.67(3.48) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 174.039 CA :: 45.187 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.371 HA2 :: 3.901 HA3 :: 3.901 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.644 Ave N Shift Values>> N :: 109.67(3.87) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.15 K 0.09 Q 0.09 I 0.03 C Shift Assignments>> C :: 176.852 CA :: 56.572 CB :: 30.267 CG :: 36.222 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 :: 8.189 HA :: 4.292 HB2 :: 2.030 HB3 :: 1.892 HG2 :: 2.197 HG3 :: 2.197 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 :: 120.492 Ave N Shift Values>> N :: 120.67(3.48) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.220 CA :: 61.729 CB :: 69.988 CG2 :: 21.324 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 :: 8.208 HA :: 4.308 HB :: 4.170 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.680 Ave N Shift Values>> N :: 115.42(4.75) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 N 0.11 K 0.1 F 0.1 Y 0.07 R 0.01 HN Overlap>> 1.V2 1.V2 C Shift Assignments>> C :: 176.260 CA :: 54.313 CB :: 41.121 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 :: 8.267 HA :: 4.571 HB2 :: 2.651 HB3 :: 2.596 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 :: 122.790 Ave N Shift Values>> N :: 120.65(3.86) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 177.291 CA :: 53.481 CB :: 18.978 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.235 HA :: 4.083 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.658 Ave N Shift Values>> N :: 123.23(3.54) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.29 L 0.14 F 0.1 Y 0.08 K 0.01 C Shift Assignments>> C :: 173.710 CA :: 53.748 CB :: 40.125 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 :: 8.339 HA :: 4.568 HB2 :: 2.920 HB3 :: 2.765 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.767 Ave N Shift Values>> N :: 120.65(3.86) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.245 CA :: 61.467 CB :: 33.024 CG1 :: 21.462 CG2 :: 21.603 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 :: 7.022 HA :: 4.570 HB :: 1.826 HG11 :: 0.868 HG12 :: 0.868 HG13 :: 0.868 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 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 :: 117.802 Ave N Shift Values>> N :: 121.14(4.54) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 G 0.32 C Shift Assignments>> C :: 174.368 CA :: 56.556 CB :: 43.178 CD1 :: 134.303 CD2 :: 134.303 CE1 :: 118.532 CE2 :: 118.532 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 :: 8.860 HA :: 4.703 HB2 :: 3.065 HB3 :: 2.433 HD1 :: 6.823 HD2 :: 6.823 HE1 :: 6.613 HE2 :: 6.613 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 :: 124.245 Ave N Shift Values>> N :: 120.52(4.2) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.23 Q 0.1 K 0.06 I 0.01 C Shift Assignments>> C :: 176.852 CA :: 56.134 CB :: 30.678 CG :: 36.068 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 :: 8.737 HA :: 4.830 HB2 :: 1.933 HB3 :: 2.126 HG2 :: 2.551 HG3 :: 2.039 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 :: 120.483 Ave N Shift Values>> N :: 120.67(3.48) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.039 CA :: 62.674 CB :: 34.023 CG1 :: 23.539 CG2 :: 21.238 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 :: 8.967 HA :: 3.431 HB :: 1.498 HG11 :: 0.505 HG12 :: 0.505 HG13 :: 0.505 HG21 :: 0.337 HG22 :: 0.337 HG23 :: 0.337 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 :: 130.946 Ave N Shift Values>> N :: 121.14(4.54) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.29 Q 0.12 K 0.04 I 0.01 C Shift Assignments>> C :: 175.427 CA :: 57.507 CB :: 31.171 CG :: 35.694 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 :: 8.901 HA :: 4.340 HB2 :: 1.599 HB3 :: 1.599 HG2 :: 2.207 HG3 :: 2.207 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 :: 128.033 Ave N Shift Values>> N :: 120.67(3.48) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.19 R 0.04 D 0.03 C Shift Assignments>> C :: 173.501 CA :: 53.152 CB :: 44.888 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 :: 7.874 HA :: 4.563 HB2 :: 2.347 HB3 :: 2.140 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 :: 114.891 Ave N Shift Values>> N :: 120.65(3.86) 1.I27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.258 CA :: 60.740 CB :: 40.417 CG1 :: 27.559 CG2 :: 17.107 CD1 :: 14.077 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 :: 8.032 HA :: 3.844 HB :: 0.935 HG12 :: 1.057 HG13 :: 1.057 HG21 :: -0.391(S) HG22 :: -0.391(S) HG23 :: -0.391(S) HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.778 Ave N Shift Values>> N :: 121.46(4.28) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.4 R 0.09 A 0.06 C Shift Assignments>> C :: 176.732 CA :: 54.402 CB :: 44.472 CG :: 27.528 CD1 :: 22.928 CD2 :: 25.858 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 :: 8.587 HA :: 4.333 HB2 :: 1.610 HB3 :: 1.282 HG :: 1.286 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 HD21 :: 0.502 HD22 :: 0.502 HD23 :: 0.502 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.573 Ave N Shift Values>> N :: 121.86(3.9) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 L 0.14 HN Overlap>> 1.N52 1.N52 C Shift Assignments>> C :: 174.220 CA :: 51.902 CB :: 21.356 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.025 HA :: 4.658 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.547 Ave N Shift Values>> N :: 123.23(3.54) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.11 D 0.01 R 0.01 C Shift Assignments>> C :: 173.880 CA :: 53.111 CB :: 45.357 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 :: 8.686 HA :: 5.549 HB2 :: 2.651 HB3 :: 2.734 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.930 Ave N Shift Values>> N :: 120.65(3.86) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 R 0.21 W 0.15 K 0.14 E 0.13 Q 0.12 C Shift Assignments>> C :: 172.795 CA :: 55.139 CB :: 31.245 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 :: 8.682 HA :: 4.560 HB2 :: 1.590 HB3 :: 1.590 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 :: 114.287 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.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.633 CA :: 61.434 CB :: 32.977 CG1 :: 20.815 CG2 :: 20.727 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 :: 8.362 HA :: 4.449 HB :: 1.767 HG11 :: 0.859 HG12 :: 0.859 HG13 :: 0.859 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 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 :: 120.494 Ave N Shift Values>> N :: 121.14(4.54) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 D 0.12 C Shift Assignments>> C :: 177.291 CA :: 51.392 CB :: 38.733 CG :: 176.834 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 :: 8.774 HA :: 4.451 HB2 :: 2.587 HB3 :: 3.265 HD21 :: 7.918 HD22 :: 6.734 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 :: 126.450 ND2 :: 112.226 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 V 0.11 R 0.08 C Shift Assignments>> C :: 176.743 CA :: 58.591 CB :: 31.732 CG :: 24.302 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 :: 8.401 HA :: 4.014 HB2 :: 1.739 HB3 :: 1.739 HG2 :: 1.359 HG3 :: 1.311 HE2 :: 2.902 HE3 :: 2.902 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.278 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.25 C Shift Assignments>> C :: 175.207 CA :: 52.857 CB :: 39.107 CG :: 177.056 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 :: 7.974 HA :: 4.804 HB2 :: 2.982 HB3 :: 2.594 HD21 :: 7.501 HD22 :: 6.872 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.416 ND2 :: 112.135 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.672 CA :: 45.652 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.186 HA2 :: 4.087 HA3 :: 3.461 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.861 Ave N Shift Values>> N :: 109.67(3.87) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.427 CA :: 59.170 CB :: 38.706 CG1 :: 27.871 CG2 :: 17.383 CD1 :: 11.721 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.504 HA :: 4.125 HB :: 1.874 HG12 :: 1.201 HG13 :: 1.378 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.725 Ave N Shift Values>> N :: 121.46(4.28) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.3 C Shift Assignments>> C :: 173.880 CA :: 53.734 CB :: 39.676 CG :: 176.613 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 :: 8.756 HA :: 4.972 HB2 :: 2.919 HB3 :: 2.334 HD21 :: 7.583 HD22 :: 6.857 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.471 ND2 :: 113.344 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 E 0.26 Q 0.01 C Shift Assignments>> C :: 174.549 CA :: 53.669 CB :: 34.538 CG :: 36.621 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 :: 8.850 HA :: 5.127 HB2 :: 1.809 HB3 :: 1.728 HG2 :: 2.163 HG3 :: 1.894 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 :: 120.253 Ave N Shift Values>> N :: 120.67(3.48) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.96 G 0.03 C Shift Assignments>> C :: 173.271 CA :: 57.251 CB :: 42.373 CD1 :: 133.376 CD2 :: 133.376 CE1 :: 117.855 CE2 :: 117.855 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 :: 9.199 HA :: 4.882 HB2 :: 2.554 HB3 :: 2.361 HD1 :: 6.714 HD2 :: 6.714 HE1 :: 6.680 HE2 :: 6.680 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.610 Ave N Shift Values>> N :: 120.52(4.2) 1.Y41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.052 CA :: 54.869 CB :: 36.892 CD1 :: 132.385 CD2 :: 132.385 CE1 :: 117.399 CE2 :: 117.399 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 :: 7.990 HA :: 4.089 HB2 :: 1.829 HB3 :: -0.027(S) HD1 :: 5.653(S) HD2 :: 5.653(S) HE1 :: 6.361 HE2 :: 6.361 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 :: 126.940 Ave N Shift Values>> N :: 120.52(4.2) 1.I42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.001 CA :: 58.932 CB :: 38.518 CG1 :: 27.016 CG2 :: 16.011 CD1 :: 11.880 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 :: 8.803 HA :: 3.487 HB :: 1.171 HG12 :: 1.261 HG13 :: 0.580 HG21 :: -1.259(S) HG22 :: -1.259(S) HG23 :: -1.259(S) HD11 :: 0.118 HD12 :: 0.118 HD13 :: 0.118 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 :: 129.482 Ave N Shift Values>> N :: 121.46(4.28) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 Q 0.25 K 0.18 R 0.08 W 0.04 P 0.01 E 0.01 N 0.01 C Shift Assignments>> C :: 174.806 CA :: 52.864 CB :: 33.533 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 :: 7.291 HA :: 4.108 HB2 :: 1.380 HB3 :: 1.042 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.953 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.852 CA :: 55.727 CB :: 29.673 CD1 :: 125.696 CE2 :: 139.296 CE3 :: 121.439 CZ2 :: 114.499 CZ3 :: 124.604 CH2 :: 123.819 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.147 HA :: 4.500 HB2 :: 3.120 HB3 :: 2.728 HD1 :: 6.973 HE1 :: 10.475 HE3 :: 7.345 HZ2 :: 7.414 HZ3 :: 6.685 HH2 :: 6.939 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 133.201 NE1 :: 130.769 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.35 C Shift Assignments>> C :: 179.046 CA :: 53.311 CB :: 17.661 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.359 HA :: 4.314 HB1 :: 1.213 HB2 :: 1.213 HB3 :: 1.213 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.629 Ave N Shift Values>> N :: 123.23(3.54) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.233 CA :: 45.326 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.279 HA2 :: 3.951 HA3 :: 3.535 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.999 Ave N Shift Values>> N :: 109.67(3.87) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.368 CA :: 57.109 CB :: 40.468 CD1 :: 134.554 CD2 :: 134.554 CE1 :: 118.599 CE2 :: 118.599 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 :: 7.649 HA :: 4.550 HB2 :: 3.135 HB3 :: 2.662 HD1 :: 7.135 HD2 :: 7.135 HE1 :: 6.832 HE2 :: 6.832 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.426 Ave N Shift Values>> N :: 120.52(4.2) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.27 R 0.14 K 0.11 F 0.05 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 177.000 CA :: 53.453 CB :: 42.508 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 :: 9.010 HA :: 4.555 HB2 :: 2.416 HB3 :: 2.320 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 :: 121.529 Ave N Shift Values>> N :: 120.65(3.86) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.767 CA :: 58.848 CB :: 28.418 CD1 :: 127.600 CE2 :: 138.710 CE3 :: 120.666 CZ2 :: 115.402 CZ3 :: 122.600 CH2 :: 125.431 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.453 HA :: 4.123 HB2 :: 3.079 HB3 :: 3.079 HD1 :: 7.301 HE1 :: 10.300 HE3 :: 7.402 HZ2 :: 7.506 HZ3 :: 7.092 HH2 :: 7.220 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.564 NE1 :: 130.172 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.122 CA :: 58.076 CB :: 36.389 CD1 :: 133.873 CD2 :: 133.873 CE1 :: 119.431 CE2 :: 119.431 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.628 HA :: 4.114 HB2 :: 2.862 HB3 :: 2.164 HD1 :: 6.732 HD2 :: 6.732 HE1 :: 6.805 HE2 :: 6.805 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.618 Ave N Shift Values>> N :: 120.52(4.2) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.18 K 0.13 F 0.06 Y 0.03 N 0.02 G 0.01 C Shift Assignments>> C :: 174.477 CA :: 54.252 CB :: 42.599 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 :: 7.809 HA :: 4.777 HB2 :: 2.634 HB3 :: 2.525 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.980 Ave N Shift Values>> N :: 120.65(3.86) 1.N52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.44 E 0.17 M 0.11 Y 0.1 F 0.07 D 0.03 K 0.02 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 176.633 CA :: 53.939 CB :: 36.878 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 :: 7.116 HA :: 4.664 HB2 :: 2.281 HB3 :: 1.380(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.832 CA :: 59.605 CB :: 71.932 CG2 :: 23.844 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 :: 7.475 HA :: 4.945 HB :: 4.367 HG21 :: 1.208 HG22 :: 1.208 HG23 :: 1.208 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.187 Ave N Shift Values>> N :: 115.42(4.75) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.291 CA :: 56.322 CB :: 30.264 CD1 :: 127.493 CE2 :: 138.929 CE3 :: 120.259 CZ2 :: 114.582 CZ3 :: 121.444 CH2 :: 123.790 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.539 HA :: 5.231 HB2 :: 2.969 HB3 :: 2.734 HD1 :: 7.185 HE1 :: 9.464 HE3 :: 6.976 HZ2 :: 6.670 HZ3 :: 6.447 HH2 :: 6.563 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.394 NE1 :: 130.458 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 M 0.13 R 0.07 W 0.04 K 0.04 Q 0.02 E 0.01 C Shift Assignments>> CA :: 51.421 CB :: 31.717 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.573 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 :: 121.242 Ave N Shift Values>> N :: 120.67(3.48) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 A 0.02 C Shift Assignments>> C :: 178.316 CA :: 61.705 CB :: 32.176 CG :: 24.612 CD :: 50.207 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.099 HB2 :: 2.369 HB3 :: 2.369 HG2 :: 1.882 HG3 :: 1.778 HD2 :: 3.555 HD3 :: 3.417 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.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.33 M 0.09 Q 0.01 K 0.01 C Shift Assignments>> C :: 178.546 CA :: 61.426 CB :: 31.283 CG :: 36.494 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 :: 8.576 HA :: 3.826 HB2 :: 2.671 HB3 :: 2.261 HG2 :: 2.399 HG3 :: 2.208 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 :: 120.503 Ave N Shift Values>> N :: 120.67(3.48) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.96 E 0.03 C Shift Assignments>> C :: 177.072 CA :: 58.468 CB :: 27.031 CG :: 32.807 CD :: 180.723 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 :: 9.394 HA :: 4.253 HB2 :: 2.195 HB3 :: 2.195 HG2 :: 2.596 HG3 :: 2.439 HE21 :: 7.658 HE22 :: 6.759 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.289 NE2 :: 111.799 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.95 D 0.04 HN Overlap>> 1.S3 1.S3 C Shift Assignments>> C :: 177.010 CA :: 53.988 CB :: 36.865 CG :: 176.387 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 :: 8.368 HA :: 4.847 HB2 :: 3.874(S) HB3 :: 3.274 HD21 :: 7.754 HD22 :: 7.133 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 :: 119.955 ND2 :: 111.424 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.02 C Shift Assignments>> C :: 177.000 CA :: 55.299 CB :: 39.147 CG :: 29.146 CD1 :: 26.046 CD2 :: 24.918 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 :: 7.948 HA :: 4.343 HB2 :: 1.868 HB3 :: 1.730 HG :: 1.396 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: 0.452 HD22 :: 0.452 HD23 :: 0.452 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.924 Ave N Shift Values>> N :: 121.86(3.9) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 F 0.39 C Shift Assignments>> C :: 176.074 CA :: 59.796 CB :: 38.347 CD1 :: 132.614 CD2 :: 132.614 CE1 :: 131.830 CE2 :: 131.830 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 :: 7.074 HA :: 4.380 HB2 :: 3.300 HB3 :: 3.135 HD1 :: 7.295 HD2 :: 7.295 HE1 :: 7.321 HE2 :: 7.321 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.658 Ave N Shift Values>> N :: 120.45(4.18) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 175.903 CA :: 45.721 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.027 HA2 :: 4.231 HA3 :: 3.702 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.141 Ave N Shift Values>> N :: 109.67(3.87) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 G 0.01 C Shift Assignments>> C :: 177.072 CA :: 49.588 CB :: 17.105 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.574 HA :: 5.010 HB1 :: 0.943 HB2 :: 0.943 HB3 :: 0.943 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.300 Ave N Shift Values>> N :: 123.23(3.54) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.35 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.607 CA :: 60.177 CB :: 29.563 CG :: 36.259 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 :: 8.155 HA :: 3.897 HB2 :: 2.099 HB3 :: 2.016 HG2 :: 2.340 HG3 :: 2.233 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.448 Ave N Shift Values>> N :: 120.67(3.48) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.813 CA :: 59.914 CB :: 31.997 CG :: 24.085 CD :: 28.700 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 :: 8.431 HA :: 3.996 HB2 :: 1.707 HB3 :: 1.707 HG2 :: 1.313 HG3 :: 1.313 HD2 :: 1.576 HD3 :: 1.576 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.426 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.059 CA :: 65.173 CB :: 31.779 CG1 :: 22.101 CG2 :: 21.298 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 :: 7.488 HA :: 3.767 HB :: 1.949 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.912 Ave N Shift Values>> N :: 121.14(4.54) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.01 HN Overlap>> 1.V4 1.V4 C Shift Assignments>> C :: 178.107 CA :: 57.996 CB :: 42.042 CG :: 26.918 CD1 :: 25.081 CD2 :: 23.039 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 :: 8.140 HA :: 3.936 HB2 :: 1.716 HB3 :: 1.180 HG :: 1.323 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.425 HD22 :: 0.425 HD23 :: 0.425 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.497 Ave N Shift Values>> N :: 121.86(3.9) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.1 C Shift Assignments>> C :: 179.083 CA :: 60.116 CB :: 32.207 CG :: 25.436 CD :: 29.018 CE :: 41.596 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 :: 8.323 HA :: 3.880 HB2 :: 1.951 HB3 :: 1.806 HG2 :: 1.599 HG3 :: 1.335 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 2.923 HE3 :: 2.923 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.848 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.17 C Shift Assignments>> C :: 178.826 CA :: 59.613 CB :: 32.260 CG :: 25.848 CD :: 28.954 CE :: 41.654 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 :: 7.557 HA :: 3.899 HB2 :: 1.933 HB3 :: 1.933 HG2 :: 1.621 HG3 :: 1.380 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 2.940 HE3 :: 2.940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.865 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.645 CA :: 59.993 CB :: 29.755 CD1 :: 129.342 CE2 :: 139.307 CE3 :: 121.804 CZ2 :: 113.346 CZ3 :: 122.393 CH2 :: 124.892 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.029 HA :: 4.327 HB2 :: 3.394 HB3 :: 3.394 HD1 :: 7.338 HE1 :: 10.981 HE3 :: 7.529 HZ2 :: 7.222 HZ3 :: 6.907 HH2 :: 7.017 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.717 NE1 :: 128.893 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 G 0.01 C Shift Assignments>> C :: 178.655 CA :: 59.670 CB :: 32.616 CG :: 25.062 CD :: 29.465 CE :: 41.957 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 :: 8.468 HA :: 3.690 HB2 :: 1.835 HB3 :: 1.835 HG2 :: 1.562 HG3 :: 1.562 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 3.031 HE3 :: 2.863 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 :: 117.071 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.17 C Shift Assignments>> C :: 176.852 CA :: 56.743 CB :: 32.312 CG :: 24.929 CD :: 28.774 CE :: 41.547 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 :: 7.595 HA :: 4.142 HB2 :: 1.892 HB3 :: 1.827 HG2 :: 1.485 HG3 :: 1.485 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.909 HE3 :: 2.909 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 :: 117.451 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.96 G 0.03 C Shift Assignments>> C :: 175.865 CA :: 56.609 CB :: 29.847 CG :: 26.609 CD :: 42.508 CZ :: 157.808 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.196 HA :: 4.048 HB2 :: 1.607 HB3 :: 1.607 HG2 :: 1.457 HG3 :: 1.292 HD2 :: 2.765 HD3 :: 2.539 HE :: 6.633 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.246 NE :: 84.304 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.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 C Shift Assignments>> C :: 175.536 CA :: 56.452 CB :: 32.153 CG :: 24.346 CD :: 28.832 CE :: 41.596 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 :: 7.707 HA :: 4.016 HB2 :: 1.657 HB3 :: 1.532 HG2 :: 1.294 HG3 :: 1.232 HD2 :: 1.667 HD3 :: 1.596 HE2 :: 2.914 HE3 :: 2.914 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 :: 121.311 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.11 C Shift Assignments>> CA :: 57.674 CB :: 33.533 CG :: 24.609 CD :: 28.837 CE :: 41.684 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 :: 7.808 HA :: 4.054 HB2 :: 1.745 HB3 :: 1.638 HG2 :: 1.309 HG3 :: 1.309 HD2 :: 1.581 HD3 :: 1.581 HE2 :: 2.905 HE3 :: 2.905 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 :: 128.650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M3L9 Overall Status: Residue type M3L not supported. 2.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 1.539 HD3 :: 1.539 HE2 :: 2.877 HE3 :: 2.877 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.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.142 HB2 :: 2.075 HB3 :: 1.906 HG2 :: 2.225 HG3 :: 2.225 HE21 :: 7.145 HE22 :: 6.855 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) 2.T6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 3.907 HB :: 5.235 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 2.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.277 HB1 :: 1.310 HB2 :: 1.310 HB3 :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.764 HB2 :: 1.507 HB3 :: 1.507 HG2 :: 1.648 HG3 :: 1.648 HD2 :: 3.135 HD3 :: 3.135 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.S10 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> HA :: 4.445 HB2 :: 4.726(S) HB3 :: 4.726 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) 2.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 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.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA2 :: 3.936 HA3 :: 3.936 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.318 HA :: 4.549 HB1 :: 1.340 HB2 :: 1.340 HB3 :: 1.340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.336 HB2 :: 2.171 HB3 :: 1.732 HG2 :: 1.978 HG3 :: 1.978 HD2 :: 3.764 HD3 :: 3.615 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) 2.R17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.Y18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.637 HA :: 4.364 HB2 :: 3.066 HB3 :: 2.801 HD1 :: 7.058 HD2 :: 7.058 HE1 :: 6.763 HE2 :: 6.763 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: 86 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 75 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 17 Shift Relative Order (SRO) Results: #Consistent: 92 #Suspicious: 0 C Shift Results: #Consistent: 352 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 575 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 82 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I27 HG21 = -0.391(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7080e-05 1.I27 HG22 = -0.391(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7080e-05 1.I27 HG23 = -0.391(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7080e-05 1.Y41 HB3 = -0.027(S), Expected = 2.84, Std = 0.3900, ChiSquare = 1.9631e-13 1.Y41 HD1 = 5.653(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.0750e-05 1.Y41 HD2 = 5.653(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.0750e-05 1.I42 HG21 = -1.259(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6992e-14 1.I42 HG22 = -1.259(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6992e-14 1.I42 HG23 = -1.259(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6992e-14 1.N52 HB3 = 1.380(S), Expected = 2.75, Std = 0.3300, ChiSquare = 3.3028e-05 1.N59 HB2 = 3.874(S), Expected = 2.81, Std = 0.3100, ChiSquare = 5.9858e-04 2.S10 HB2 = 4.726(S), Expected = 3.88, Std = 0.2500, ChiSquare = 7.1438e-04