Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.63 L 0.22 R 0.09 F 0.02 D 0.02 C Shift Assignments>> CA :: 44.663 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.842 HA3 :: 4.083 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.108 CA :: 63.239 CB :: 32.199 CG :: 27.208 CD :: 49.785 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 :: 4.480 HB2 :: 2.321 HB3 :: 1.950 HG2 :: 2.022 HG3 :: 2.018 HD2 :: 3.582 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 G 0.01 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 178.015 CA :: 55.406 CB :: 42.245 CG :: 26.861 CD1 :: 24.874 CD2 :: 23.487 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 :: 8.581 HA :: 4.302 HB2 :: 1.694 HB3 :: 1.613 HG :: 1.658 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 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 :: 122.430 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.G37 1.G12 1.G37 1.G12 C Shift Assignments>> C :: 174.312 CA :: 45.333 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.466 HA2 :: 3.988 HA3 :: 3.988 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.121 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.858 CA :: 58.527 CB :: 64.063 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.207 HA :: 4.448 HB2 :: 3.879 HB3 :: 3.879 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 :: 115.828 Ave N Shift Values>> N :: 116.28(3.52) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.08 HN Overlap>> 1.R126 1.R126 C Shift Assignments>> C :: 176.407 CA :: 56.514 CB :: 32.633 CG :: 24.655 CD :: 29.510 CE :: 41.602 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 :: 8.460 HA :: 4.349 HB2 :: 1.861 HB3 :: 1.773 HG2 :: 1.419 HG3 :: 1.434 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 2.995 HE3 :: 2.995 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.089 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.16 F 0.12 N 0.08 R 0.02 HN Overlap>> 1.K42 1.K8 1.K42 1.K8 C Shift Assignments>> C :: 176.532 CA :: 54.849 CB :: 41.265 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 :: 8.280 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 :: 121.196 Ave N Shift Values>> N :: 120.65(3.86) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 HN Overlap>> 1.D7 1.D132 1.D7 1.D132 C Shift Assignments>> C :: 176.779 CA :: 56.488 CB :: 32.959 CG :: 24.581 CD :: 29.142 CE :: 42.218 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 :: 8.351 HA :: 3.978 HB2 :: 1.858 HB3 :: 1.763 HG2 :: 1.409 HG3 :: 1.409 HD2 :: 1.679 HD3 :: 1.679 HE2 :: 2.999 HE3 :: 2.999 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 :: 121.159 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.16 F 0.12 N 0.07 R 0.02 HN Overlap>> 1.V94 1.V94 1.M24 1.M24 C Shift Assignments>> C :: 174.450 CA :: 54.844 CB :: 41.315 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 :: 8.352 HB2 :: 2.678 HB3 :: 2.678 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.884 Ave N Shift Values>> N :: 120.65(3.86) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G138 1.G138 1.G135 1.G135 C Shift Assignments>> C :: 174.453 CA :: 45.511 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.299 HA2 :: 3.963 HA3 :: 3.963 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.181 Ave N Shift Values>> N :: 109.67(3.87) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.15 K 0.09 Q 0.08 I 0.04 HN Overlap>> 1.K17 1.Q45 1.K17 1.Q45 C Shift Assignments>> C :: 177.108 CA :: 56.780 CB :: 30.311 CG :: 36.271 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 :: 8.276 HA :: 4.307 HB2 :: 1.957 HB3 :: 2.084 HG2 :: 2.249 HG3 :: 2.249 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 :: 120.643 Ave N Shift Values>> N :: 120.67(3.48) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.12 R 0.02 F 0.01 HN Overlap>> 1.G4 1.G4 C Shift Assignments>> C :: 173.481 CA :: 45.158 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.460 HA2 :: 3.929 HA3 :: 3.929 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.027 Ave N Shift Values>> N :: 109.67(3.87) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> C :: 175.149 CA :: 50.504 CB :: 18.334 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.083 HA :: 4.601 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.905 Ave N Shift Values>> N :: 123.23(3.54) 1.P14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.780 CA :: 63.117 CB :: 31.800 CG :: 26.827 CD :: 50.792 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 :: 4.377 HB2 :: 2.299 HB3 :: 2.299 HG2 :: 1.912 HG3 :: 1.912 HD2 :: 3.833 HD3 :: 3.833 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.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 HN Overlap>> 1.R134 1.R134 C Shift Assignments>> C :: 177.919 CA :: 52.572 CB :: 19.325 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367 HA :: 4.258 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.040 Ave N Shift Values>> N :: 123.23(3.54) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 HN Overlap>> 1.Q45 1.E11 1.Q45 1.E11 C Shift Assignments>> C :: 176.453 CA :: 56.230 CB :: 33.120 CG :: 24.778 CD :: 29.099 CE :: 42.218 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 :: 8.277 HA :: 4.286 HB2 :: 1.818 HB3 :: 1.733 HG2 :: 1.417 HG3 :: 1.417 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.991 HE3 :: 2.991 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 :: 120.656 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.16 K 0.08 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 175.905 CA :: 55.984 CB :: 31.113 CG :: 27.538 CD :: 43.681 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 :: 8.305 HA :: 4.316 HB2 :: 1.839 HB3 :: 1.749 HD2 :: 3.209 HD3 :: 3.209 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.729 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.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.735 CA :: 52.467 CB :: 19.482 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.404 HA :: 4.318 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.925 Ave N Shift Values>> N :: 123.23(3.54) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.14 K 0.06 C Shift Assignments>> C :: 176.865 CA :: 56.349 CB :: 30.983 CG :: 27.041 CD :: 43.561 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 :: 8.429 HA :: 4.398 HB2 :: 1.809 HB3 :: 1.911 HG2 :: 1.666 HG3 :: 1.666 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.677 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.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.522 CA :: 61.906 CB :: 69.751 CG2 :: 21.152 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 :: 8.262 HB :: 4.304 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 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 :: 114.359 Ave N Shift Values>> N :: 115.42(4.75) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 F 0.13 K 0.12 N 0.1 R 0.01 C Shift Assignments>> C :: 176.182 CA :: 54.725 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 :: 8.373 HA :: 4.561 HB2 :: 2.694 HB3 :: 2.699 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 :: 121.872 Ave N Shift Values>> N :: 120.65(3.86) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.78 E 0.21 C Shift Assignments>> C :: 175.913 CA :: 56.029 CB :: 29.421 CG :: 33.816 CD :: 180.612 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 :: 8.222 HA :: 4.311 HB2 :: 1.968 HB3 :: 2.129 HG2 :: 2.345 HE21 :: 7.564 HE22 :: 6.851 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 :: 119.842 NE2 :: 112.579 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 A 0.18 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 176.256 CA :: 55.848 CB :: 32.933 CG :: 32.157 CE :: 17.080 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 :: 8.332 HA :: 4.431 HB2 :: 2.024 HB3 :: 2.075 HG2 :: 2.599 HG3 :: 2.522 HE1 :: 2.091 HE2 :: 2.091 HE3 :: 2.091 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.989 Ave N Shift Values>> N :: 120.09(3.57) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.15 K 0.09 Q 0.08 I 0.04 C Shift Assignments>> C :: 176.563 CA :: 56.660 CB :: 30.252 CG :: 36.273 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.410 HA :: 4.322 HB2 :: 1.962 HB3 :: 2.004 HG2 :: 2.254 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.213 Ave N Shift Values>> N :: 120.67(3.48) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.942 CA :: 62.439 CB :: 32.914 CG1 :: 20.547 CG2 :: 20.291 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 :: 8.179 HA :: 4.101 HB :: 2.073 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 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 :: 120.810 Ave N Shift Values>> N :: 121.14(4.54) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.27 K 0.15 F 0.1 N 0.09 R 0.02 C Shift Assignments>> C :: 176.135 CA :: 54.454 CB :: 41.351 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 :: 8.432 HA :: 4.654 HB2 :: 2.711 HB3 :: 2.648 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 :: 123.792 Ave N Shift Values>> N :: 120.65(3.86) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.725 CA :: 58.326 CB :: 64.106 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.243 HA :: 4.486 HB2 :: 3.851 HB3 :: 3.928 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 :: 116.643 Ave N Shift Values>> N :: 116.28(3.52) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.143 CA :: 44.983 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.336 HA2 :: 4.103 HA3 :: 4.143 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.762 Ave N Shift Values>> N :: 109.67(3.87) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.881 CA :: 63.702 CB :: 32.081 CG :: 26.782 CD :: 50.973 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 :: 4.428 HB2 :: 2.279 HB3 :: 2.279 HG2 :: 1.962 HG3 :: 1.976 HD2 :: 3.640 HD3 :: 3.640 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.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.106 CA :: 45.407 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.538 HA2 :: 3.927 HA3 :: 3.927 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.328 Ave N Shift Values>> N :: 109.67(3.87) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.09 Q 0.07 V 0.01 HN Overlap>> 1.D82 1.Q59 1.D82 1.Q59 C Shift Assignments>> C :: 176.428 CA :: 56.137 CB :: 32.984 CG :: 24.741 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 :: 8.072 HA :: 4.321 HB2 :: 1.799 HB3 :: 1.799 HG2 :: 1.389 HG3 :: 1.389 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.932 HE3 :: 2.932 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 :: 120.522 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.24 R 0.21 Q 0.18 M 0.13 E 0.12 K 0.08 HN Overlap>> 1.K56 1.R126 1.K56 1.R126 C Shift Assignments>> C :: 174.223 CA :: 54.062 CB :: 30.295 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 :: 8.317 HA :: 4.607 HB2 :: 1.735 HB3 :: 1.837 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 :: 123.121 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.810 CA :: 63.046 CB :: 32.212 CG :: 27.555 CD :: 51.104 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 :: 4.420 HB2 :: 2.268 HD2 :: 3.794 HD3 :: 3.614 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.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.04 A 0.03 G 0.02 HN Overlap>> 1.R105 1.R18 1.R105 1.R18 C Shift Assignments>> C :: 177.524 CA :: 55.686 CB :: 42.436 CG :: 26.896 CD1 :: 23.065 CD2 :: 24.731 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 :: 8.383 HA :: 4.339 HB2 :: 1.611 HB3 :: 1.611 HG :: 1.610 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 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 :: 122.784 Ave N Shift Values>> N :: 121.86(3.9) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.21 E 0.18 Q 0.16 M 0.11 K 0.09 C Shift Assignments>> C :: 176.609 CA :: 56.285 CB :: 30.522 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 :: 8.396 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.648 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.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 HN Overlap>> 1.G4 1.G4 C Shift Assignments>> C :: 174.302 CA :: 45.301 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.435 HA2 :: 3.914 HA3 :: 3.914 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.203 Ave N Shift Values>> N :: 109.67(3.87) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.879 CA :: 45.170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.205 HA2 :: 3.858 HA3 :: 3.858 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.132 Ave N Shift Values>> N :: 109.67(3.87) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 L 0.19 D 0.17 K 0.09 I 0.08 N 0.02 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> C :: 176.917 CA :: 57.445 CB :: 40.486 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 :: 8.134 HA :: 4.880 HB2 :: 2.931 HB3 :: 3.272 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.612 Ave N Shift Values>> N :: 120.45(4.18) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.965 CA :: 61.454 CB :: 70.814 CG2 :: 21.849 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 :: 8.730 HA :: 4.448 HB :: 4.536 HG21 :: 1.293 HG22 :: 1.293 HG23 :: 1.293 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 :: 114.498 Ave N Shift Values>> N :: 115.42(4.75) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 L 0.21 D 0.2 K 0.12 I 0.05 N 0.03 C Shift Assignments>> C :: 177.998 CA :: 57.013 CB :: 40.619 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 :: 8.685 HA :: 4.429 HB2 :: 2.709 HB3 :: 2.686 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 :: 121.764 Ave N Shift Values>> N :: 120.65(3.86) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.27 G 0.01 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> C :: 177.946 CA :: 58.943 CB :: 32.564 CG :: 24.768 CD :: 28.632 CE :: 42.316 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 :: 8.282 HA :: 4.039 HB2 :: 1.797 HE2 :: 3.006 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 :: 121.287 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.37 K 0.03 M 0.03 C Shift Assignments>> C :: 179.133 CA :: 59.272 CB :: 29.900 CG :: 37.302 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 :: 7.894 HA :: 4.018 HB2 :: 1.866 HB3 :: 2.236 HG2 :: 2.336 HG3 :: 2.237 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 :: 118.990 Ave N Shift Values>> N :: 120.67(3.48) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.29 M 0.03 P 0.01 HN Overlap>> 1.E83 1.E83 C Shift Assignments>> C :: 178.906 CA :: 59.148 CB :: 30.213 CG :: 28.091 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.258 HA :: 4.010 HB2 :: 1.935 HB3 :: 1.800 HG2 :: 1.583 HG3 :: 1.782 HD2 :: 3.221 HD3 :: 3.221 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 :: 119.442 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.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.84 E 0.15 HN Overlap>> 1.K17 1.K17 1.E11 1.E11 C Shift Assignments>> C :: 178.580 CA :: 58.757 CB :: 28.378 CG :: 33.745 CD :: 180.330 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 :: 8.249 HA :: 4.065 HB2 :: 2.195 HB3 :: 2.195 HG2 :: 2.436 HG3 :: 2.499 HE21 :: 7.584 HE22 :: 6.866 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 :: 120.657 NE2 :: 112.046 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 D 0.19 L 0.15 I 0.09 N 0.07 K 0.01 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> C :: 178.129 CA :: 57.039 CB :: 39.753 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 :: 8.623 HA :: 4.483 HB2 :: 2.738 HB3 :: 2.776 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 :: 122.491 Ave N Shift Values>> N :: 120.65(3.86) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 K 0.16 H 0.15 R 0.15 Q 0.14 I 0.1 M 0.03 V 0.03 C Shift Assignments>> C :: 177.471 CA :: 59.109 CB :: 29.569 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 :: 8.258 HA :: 4.425 HB2 :: 3.261 HB3 :: 3.261 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.043 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.22 K 0.03 C Shift Assignments>> C :: 179.243 CA :: 59.626 CB :: 30.200 CG :: 27.592 CD :: 43.702 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 :: 8.048 HA :: 3.956 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 1.667 HG3 :: 1.878 HD2 :: 3.211 HD3 :: 3.211 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.955 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.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.2 G 0.06 L 0.04 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 177.571 CA :: 57.844 CB :: 29.501 CG :: 26.657 CD :: 43.098 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 :: 8.338 HA :: 4.162 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 1.864 HG3 :: 1.448 HD2 :: 3.355 HD3 :: 3.020 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.407 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.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 G 0.39 C Shift Assignments>> C :: 177.869 CA :: 60.453 CB :: 29.683 CG :: 27.431 CD :: 43.968 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 :: 8.602 HA :: 3.723 HB2 :: 1.896 HB3 :: 2.024 HG2 :: 1.503 HG3 :: 1.503 HD2 :: 3.070 HD3 :: 2.986 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.343 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.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.3 C Shift Assignments>> C :: 178.923 CA :: 58.773 CB :: 31.527 CG :: 24.515 CD :: 28.427 CE :: 41.916 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 :: 7.877 HA :: 3.993 HB2 :: 1.804 HB3 :: 1.804 HG2 :: 1.417 HG3 :: 1.329 HD2 :: 1.614 HD3 :: 1.614 HE2 :: 2.966 HE3 :: 2.867 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 :: 117.220 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.04 C Shift Assignments>> C :: 181.952 CA :: 55.389 CB :: 18.104 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.136 HA :: 4.199 HB1 :: 1.569 HB2 :: 1.569 HB3 :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.056 Ave N Shift Values>> N :: 123.23(3.54) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.3 R 0.27 C Shift Assignments>> C :: 178.896 CA :: 58.116 CB :: 43.873 CG :: 27.538 CD1 :: 22.566 CD2 :: 25.765 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 :: 8.421 HA :: 4.089 HB2 :: 1.287 HB3 :: 2.125 HG :: 1.660 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.526 Ave N Shift Values>> N :: 121.86(3.9) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 E 0.36 K 0.02 M 0.01 HN Overlap>> 1.L60 1.L60 C Shift Assignments>> C :: 180.199 CA :: 59.968 CB :: 29.695 CG :: 37.652 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 :: 8.763 HA :: 3.912 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 2.266 HG3 :: 2.586 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 :: 120.572 Ave N Shift Values>> N :: 120.67(3.48) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.82 D 0.17 C Shift Assignments>> C :: 177.484 CA :: 56.317 CB :: 38.264 CG :: 176.055 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 :: 8.462 HA :: 4.490 HB2 :: 2.818 HB3 :: 2.933 HD21 :: 7.633 HD22 :: 6.967 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 :: 118.907 ND2 :: 112.707 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.32 G 0.01 HN Overlap>> 1.R126 1.R33 1.R126 1.R33 C Shift Assignments>> C :: 177.863 CA :: 59.892 CB :: 33.150 CG :: 25.645 CD :: 30.259 CE :: 42.128 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 :: 8.271 HA :: 4.063 HB2 :: 1.951 HB3 :: 1.951 HG2 :: 1.246 HG3 :: 1.482 HD2 :: 1.547 HD3 :: 1.547 HE2 :: 2.947 HE3 :: 2.947 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.034 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.02 C Shift Assignments>> C :: 179.158 CA :: 60.566 CB :: 32.923 CG :: 24.894 CD :: 30.272 CE :: 42.106 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 :: 8.727 HA :: 3.758 HB2 :: 1.858 HB3 :: 1.858 HG2 :: 1.332 HG3 :: 1.332 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 3.009 HE3 :: 3.009 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 :: 119.970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 179.441 CA :: 59.878 CB :: 32.571 CG :: 25.186 CD :: 29.467 CE :: 42.214 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 :: 7.910 HA :: 4.077 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 1.462 HG3 :: 1.609 HD2 :: 1.726 HD3 :: 1.726 HE2 :: 2.994 HE3 :: 2.994 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 :: 119.893 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.85 E 0.14 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 179.642 CA :: 58.977 CB :: 28.499 CG :: 33.726 CD :: 180.152 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 :: 8.132 HA :: 4.082 HB2 :: 2.174 HB3 :: 2.174 HG2 :: 2.519 HG3 :: 2.369 HE21 :: 6.814 HE22 :: 7.388 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 :: 120.478 NE2 :: 111.442 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 A 0.01 HN Overlap>> 1.E54 1.E54 C Shift Assignments>> C :: 180.401 CA :: 57.763 CB :: 41.071 CG :: 27.088 CD1 :: 22.615 CD2 :: 26.216 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 :: 8.766 HA :: 4.042 HB2 :: 1.667 HB3 :: 1.092 HG :: 1.799 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.527 Ave N Shift Values>> N :: 121.86(3.9) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.009 CA :: 61.687 CB :: 62.702 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.415 HA :: 4.446 HB2 :: 4.078 HB3 :: 4.078 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 :: 116.477 Ave N Shift Values>> N :: 116.28(3.52) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 178.430 CA :: 54.664 CB :: 18.039 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.541 HA :: 4.279 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.007 Ave N Shift Values>> N :: 123.23(3.54) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.2 R 0.07 F 0.02 D 0.01 C Shift Assignments>> C :: 175.052 CA :: 44.740 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.541 HA2 :: 4.549 HA3 :: 3.736 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.202 Ave N Shift Values>> N :: 109.67(3.87) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.169 CA :: 46.159 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.908 HA2 :: 3.930 HA3 :: 4.077 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.286 Ave N Shift Values>> N :: 109.67(3.87) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 174.453 CA :: 54.577 CB :: 35.660 CG :: 25.288 CD :: 28.968 CE :: 41.529 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 :: 7.874 HA :: 4.597 HB2 :: 1.948 HB3 :: 1.606 HG2 :: 1.378 HG3 :: 1.378 HD2 :: 1.620 HD3 :: 1.705 HE2 :: 3.140 HE3 :: 3.140 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 :: 119.465 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.66 N 0.24 G 0.09 C Shift Assignments>> C :: 175.223 CA :: 52.073 CB :: 42.590 CG :: 177.387 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 :: 8.255 HA :: 4.955 HB2 :: 2.939 HB3 :: 2.544 HD21 :: 7.538 HD22 :: 6.880 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 :: 117.137 ND2 :: 113.780 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 R 0.24 A 0.14 G 0.13 C Shift Assignments>> C :: 178.072 CA :: 55.042 CB :: 43.327 CG :: 26.813 CD1 :: 22.191 CD2 :: 26.384 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 :: 8.849 HA :: 4.224 HB2 :: 1.732 HB3 :: 1.732 HG :: 1.725 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.147 Ave N Shift Values>> N :: 121.86(3.9) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.352 CA :: 58.071 CB :: 64.871 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.089 HA :: 4.392 HB2 :: 4.104 HB3 :: 4.388 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 :: 118.450 Ave N Shift Values>> N :: 116.28(3.52) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.01 C Shift Assignments>> C :: 179.356 CA :: 59.837 CB :: 32.164 CG :: 24.682 CD :: 29.211 CE :: 42.124 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 :: 8.935 HA :: 4.067 HB2 :: 1.800 HB3 :: 1.933 HG2 :: 1.521 HG3 :: 1.521 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 3.004 HE3 :: 2.954 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 :: 122.335 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 E 0.27 K 0.02 C Shift Assignments>> C :: 180.214 CA :: 60.543 CB :: 28.839 CG :: 37.173 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 :: 8.970 HA :: 4.076 HB2 :: 2.064 HB3 :: 1.972 HG2 :: 2.491 HG3 :: 2.292 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 :: 117.676 Ave N Shift Values>> N :: 120.67(3.48) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 E 0.37 M 0.06 C Shift Assignments>> C :: 177.951 CA :: 59.469 CB :: 30.850 CG :: 38.435 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 :: 7.855 HA :: 4.150 HB2 :: 1.728 HB3 :: 1.728 HG2 :: 2.422 HG3 :: 2.114 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 :: 121.542 Ave N Shift Values>> N :: 120.67(3.48) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.21 K 0.12 Q 0.08 M 0.03 C Shift Assignments>> C :: 179.724 CA :: 59.641 CB :: 29.699 CG :: 35.905 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 :: 8.948 HA :: 3.905 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.245 HG3 :: 2.221 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 :: 121.512 Ave N Shift Values>> N :: 120.67(3.48) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.23 K 0.14 Q 0.08 M 0.01 HN Overlap>> 1.F39 1.F39 C Shift Assignments>> C :: 178.477 CA :: 59.059 CB :: 29.089 CG :: 36.077 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 :: 8.121 HA :: 4.140 HB2 :: 2.012 HB3 :: 2.147 HG2 :: 2.405 HG3 :: 2.352 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.724 Ave N Shift Values>> N :: 120.67(3.48) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 K 0.2 Q 0.18 I 0.14 M 0.03 C Shift Assignments>> C :: 178.223 CA :: 59.464 CB :: 29.507 CG :: 35.325 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 :: 8.008 HA :: 3.949 HB2 :: 2.205 HB3 :: 2.205 HG2 :: 2.318 HG3 :: 2.036 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.617 Ave N Shift Values>> N :: 120.67(3.48) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 C Shift Assignments>> C :: 179.609 CA :: 58.136 CB :: 40.947 CG :: 27.215 CD1 :: 23.462 CD2 :: 26.077 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 :: 8.654 HA :: 4.054 HB2 :: 2.091 HB3 :: 1.490 HG :: 1.587 HD11 :: 1.076 HD12 :: 1.076 HD13 :: 1.076 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.243 Ave N Shift Values>> N :: 121.86(3.9) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.13 K 0.09 L 0.01 HN Overlap>> 1.R105 1.R105 C Shift Assignments>> C :: 178.706 CA :: 60.074 CB :: 29.504 CG :: 26.897 CD :: 43.252 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 :: 8.417 HA :: 4.000 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 1.575 HG3 :: 1.575 HD2 :: 3.268 HD3 :: 3.165 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.902 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.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.16 K 0.05 HN Overlap>> 1.Q117 1.E129 1.Q117 1.E129 C Shift Assignments>> C :: 179.386 CA :: 59.840 CB :: 30.013 CG :: 27.594 CD :: 43.450 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 :: 8.234 HA :: 4.085 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 1.593 HG3 :: 1.759 HD2 :: 3.242 HD3 :: 3.242 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.341 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.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 G 0.06 A 0.01 R 0.01 C Shift Assignments>> C :: 180.124 CA :: 57.875 CB :: 42.743 CG :: 26.659 CD1 :: 23.750 CD2 :: 22.359 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 :: 8.600 HA :: 4.073 HB2 :: 1.432 HB3 :: 1.907 HG :: 1.440 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.793 Ave N Shift Values>> N :: 121.86(3.9) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.942 CA :: 67.244 CB :: 68.859 CG2 :: 20.733 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 :: 8.383 HA :: 3.873 HB :: 4.378 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.968 Ave N Shift Values>> N :: 115.42(4.75) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.36 K 0.07 Q 0.02 M 0.01 HN Overlap>> 1.R49 1.R49 C Shift Assignments>> C :: 179.307 CA :: 59.546 CB :: 29.387 CG :: 36.699 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 :: 8.265 HA :: 4.084 HB2 :: 2.152 HB3 :: 2.152 HG2 :: 2.278 HG3 :: 2.489 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.470 Ave N Shift Values>> N :: 120.67(3.48) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.25 K 0.1 Q 0.05 M 0.02 C Shift Assignments>> C :: 178.959 CA :: 59.169 CB :: 29.380 CG :: 36.348 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 :: 8.198 HA :: 4.107 HB2 :: 2.094 HG2 :: 2.475 HG3 :: 2.381 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 :: 118.845 Ave N Shift Values>> N :: 120.67(3.48) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 K 0.22 L 0.21 D 0.16 I 0.04 R 0.02 N 0.01 HN Overlap>> 1.K32 1.K32 1.V119 1.V119 C Shift Assignments>> C :: 178.497 CA :: 57.277 CB :: 41.100 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 :: 7.970 HA :: 4.569 HB2 :: 2.871 HB3 :: 2.769 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 :: 120.503 Ave N Shift Values>> N :: 120.65(3.86) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.2 K 0.09 Q 0.05 M 0.04 HN Overlap>> 1.R44 1.R44 C Shift Assignments>> C :: 178.877 CA :: 59.094 CB :: 29.842 CG :: 36.354 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 :: 8.243 HA :: 4.083 HB2 :: 2.133 HB3 :: 2.142 HG2 :: 2.287 HG3 :: 2.080 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.545 Ave N Shift Values>> N :: 120.67(3.48) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.15 K 0.09 C Shift Assignments>> C :: 178.500 CA :: 58.638 CB :: 30.328 CG :: 27.920 CD :: 43.554 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 :: 7.940 HA :: 4.086 HB2 :: 1.934 HB3 :: 1.934 HG2 :: 1.880 HG3 :: 1.880 HD2 :: 3.227 HD3 :: 3.227 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.675 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.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.15 K 0.1 C Shift Assignments>> C :: 177.903 CA :: 58.710 CB :: 30.508 CG :: 27.939 CD :: 43.574 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 :: 7.893 HA :: 4.099 HB2 :: 2.013 HB3 :: 1.934 HG2 :: 1.649 HG3 :: 1.814 HD2 :: 3.233 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.006 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.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 K 0.11 I 0.1 M 0.08 Q 0.07 C Shift Assignments>> C :: 177.524 CA :: 57.853 CB :: 29.958 CG :: 36.302 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 :: 8.157 HA :: 4.152 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.370 HG3 :: 2.283 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.337 Ave N Shift Values>> N :: 120.67(3.48) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 K 0.11 G 0.1 C Shift Assignments>> C :: 176.855 CA :: 56.913 CB :: 30.422 CG :: 27.513 CD :: 43.335 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.941 HA :: 4.272 HB2 :: 1.876 HB3 :: 1.876 HG2 :: 1.683 HG3 :: 1.683 HD2 :: 3.193 HD3 :: 3.193 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 :: 119.292 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.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.2 M 0.03 Q 0.02 HN Overlap>> 1.I133 1.I133 1.L131 1.L131 C Shift Assignments>> C :: 176.753 CA :: 57.007 CB :: 30.649 CG :: 27.264 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 :: 8.038 HA :: 4.293 HB2 :: 1.879 HB3 :: 1.879 HG2 :: 1.666 HG3 :: 1.666 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.135 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.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.950 CA :: 62.464 CB :: 32.564 CG1 :: 20.976 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 :: 8.041 HA :: 4.105 HB :: 2.106 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 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 :: 119.830 Ave N Shift Values>> N :: 121.14(4.54) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 L 0.01 C Shift Assignments>> C :: 177.802 CA :: 52.617 CB :: 19.660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.251 HA :: 4.361 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.911 Ave N Shift Values>> N :: 123.23(3.54) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.25 R 0.13 F 0.03 D 0.02 C Shift Assignments>> C :: 171.094 CA :: 44.481 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.086 HA2 :: 4.020 HA3 :: 4.160 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.210 Ave N Shift Values>> N :: 109.67(3.87) 1.P92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.189 CA :: 62.945 CB :: 31.493 CG :: 27.550 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 :: 4.491 HB2 :: 2.250 HD2 :: 3.789 HD3 :: 3.789 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.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 176.923 CA :: 62.650 CB :: 32.699 CG1 :: 20.628 CG2 :: 21.233 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 :: 8.294 HA :: 4.091 HB :: 2.067 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 120.812 Ave N Shift Values>> N :: 121.14(4.54) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 174.579 CA :: 45.237 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.543 HA2 :: 3.978 HA3 :: 3.978 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.751 Ave N Shift Values>> N :: 109.67(3.87) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.12 R 0.02 F 0.01 HN Overlap>> 1.G111 1.G111 1.G110 1.G110 C Shift Assignments>> C :: 173.891 CA :: 45.148 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.245 HA2 :: 3.965 HA3 :: 3.965 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.609 Ave N Shift Values>> N :: 109.67(3.87) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F124 1.F124 C Shift Assignments>> C :: 175.731 CA :: 62.119 CB :: 32.894 CG1 :: 20.484 CG2 :: 20.479 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 :: 8.026 HA :: 4.108 HB :: 2.035 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 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 :: 118.768 Ave N Shift Values>> N :: 121.14(4.54) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.86 D 0.13 C Shift Assignments>> C :: 173.854 CA :: 50.852 CB :: 38.778 CG :: 177.155 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 :: 8.621 HB2 :: 2.889 HB3 :: 2.722 HD21 :: 6.969 HD22 :: 7.694 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 :: 123.891 ND2 :: 113.062 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.090 CA :: 63.706 CB :: 32.280 CG :: 27.309 CD :: 51.444 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 :: 4.403 HB2 :: 2.303 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.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 A 0.08 R 0.03 G 0.01 HN Overlap>> 1.F112 1.F112 C Shift Assignments>> C :: 177.709 CA :: 55.333 CB :: 42.002 CG :: 26.977 CD1 :: 22.588 CD2 :: 24.751 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 :: 8.168 HA :: 4.297 HB2 :: 1.670 HB3 :: 1.587 HG :: 1.626 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.238 Ave N Shift Values>> N :: 121.86(3.9) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.16 Q 0.09 K 0.09 I 0.03 C Shift Assignments>> C :: 176.997 CA :: 56.666 CB :: 30.317 CG :: 36.213 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 :: 8.079 HA :: 4.297 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 2.250 HG3 :: 2.250 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 :: 120.934 Ave N Shift Values>> N :: 120.67(3.48) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G118 1.G118 C Shift Assignments>> C :: 174.851 CA :: 45.491 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.394 HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.902 Ave N Shift Values>> N :: 109.67(3.87) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 R 0.01 HN Overlap>> 1.G110 1.G110 C Shift Assignments>> C :: 174.378 CA :: 45.385 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.272 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.721 Ave N Shift Values>> N :: 109.67(3.87) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.846 CA :: 58.516 CB :: 63.897 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.301 HA :: 4.482 HB2 :: 3.872 HB3 :: 3.872 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 :: 115.712 Ave N Shift Values>> N :: 116.28(3.52) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.13 K 0.05 HN Overlap>> 1.L35 1.R76 1.L35 1.R76 C Shift Assignments>> C :: 176.821 CA :: 56.396 CB :: 30.607 CG :: 27.038 CD :: 43.500 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 :: 8.444 HA :: 4.328 HB2 :: 1.882 HB3 :: 1.801 HG2 :: 1.637 HG3 :: 1.637 HD2 :: 3.201 HD3 :: 3.201 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.798 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.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 R 0.03 F 0.01 C Shift Assignments>> C :: 173.329 CA :: 45.042 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.319 HA2 :: 3.915 HA3 :: 3.915 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.553 Ave N Shift Values>> N :: 109.67(3.87) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> C :: 175.787 CA :: 50.479 CB :: 18.335 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.121 HA :: 4.593 HB1 :: 1.337 HB2 :: 1.337 HB3 :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.795 Ave N Shift Values>> N :: 123.23(3.54) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.831 CA :: 63.645 CB :: 32.018 CG :: 27.537 CD :: 50.931 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 :: 4.429 HB2 :: 2.292 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.G109 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 :: 174.924 CA :: 45.664 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.552 HA2 :: 3.977 HA3 :: 3.977 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.743 Ave N Shift Values>> N :: 109.67(3.87) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G103 1.G96 1.G103 1.G96 C Shift Assignments>> C :: 174.706 CA :: 45.617 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.288 HA2 :: 3.981 HA3 :: 3.981 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.680 Ave N Shift Values>> N :: 109.67(3.87) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.13 R 0.02 F 0.01 HN Overlap>> 1.G96 1.G96 C Shift Assignments>> C :: 173.592 CA :: 45.091 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.251 HA2 :: 3.905 HA3 :: 3.905 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.560 Ave N Shift Values>> N :: 109.67(3.87) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 I 0.16 L 0.13 D 0.12 N 0.02 K 0.02 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 175.220 CA :: 57.874 CB :: 39.905 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 :: 8.103 HA :: 4.618 HB2 :: 3.028 HB3 :: 3.028 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 :: 120.259 Ave N Shift Values>> N :: 120.45(4.18) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.849 CA :: 59.515 CB :: 33.192 CG1 :: 20.780 CG2 :: 20.784 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 :: 8.052 HA :: 4.328 HB :: 1.968 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 125.409 Ave N Shift Values>> N :: 121.14(4.54) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.93 R 0.03 I 0.01 K 0.01 C Shift Assignments>> C :: 176.371 CA :: 63.208 CB :: 32.202 CG :: 27.256 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 :: 4.282 HB2 :: 2.272 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.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.24 C Shift Assignments>> C :: 175.336 CA :: 53.237 CB :: 38.677 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 :: 8.467 HA :: 4.649 HB2 :: 2.813 HB3 :: 2.813 HD21 :: 6.924 HD22 :: 7.608 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 :: 118.381 ND2 :: 112.751 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.04 R 0.02 G 0.01 C Shift Assignments>> C :: 177.369 CA :: 55.650 CB :: 42.208 CG :: 26.413 CD1 :: 24.758 CD2 :: 22.860 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 :: 8.262 HA :: 4.324 HB2 :: 1.612 HB3 :: 1.612 HG :: 1.612 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 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 :: 122.916 Ave N Shift Values>> N :: 121.86(3.9) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.75 E 0.24 HN Overlap>> 1.R77 1.R77 C Shift Assignments>> C :: 176.380 CA :: 56.269 CB :: 29.391 CG :: 33.900 CD :: 180.639 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 :: 8.327 HA :: 4.324 HB2 :: 2.132 HB3 :: 1.999 HG2 :: 2.357 HG3 :: 2.357 HE21 :: 7.530 HE22 :: 6.851 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 :: 120.293 NE2 :: 112.473 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 HN Overlap>> 1.G102 1.G102 C Shift Assignments>> C :: 173.724 CA :: 45.425 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.324 HA2 :: 3.925 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 :: 109.922 Ave N Shift Values>> N :: 109.67(3.87) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 M 0.02 HN Overlap>> 1.D82 1.D82 C Shift Assignments>> C :: 174.652 CA :: 59.883 CB :: 32.578 CG1 :: 21.151 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 :: 7.957 HA :: 4.436 HB :: 2.089 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 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 :: 120.610 Ave N Shift Values>> N :: 121.14(4.54) 1.P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.807 CA :: 63.281 CB :: 32.176 CG :: 27.478 CD :: 50.551 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 :: 4.400 HB2 :: 2.275 HB3 :: 2.275 HG2 :: 1.887 HG3 :: 1.887 HD2 :: 3.800 HD3 :: 3.635 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.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.16 K 0.07 Q 0.07 I 0.04 HN Overlap>> 1.D132 1.D132 C Shift Assignments>> C :: 176.318 CA :: 56.664 CB :: 30.406 CG :: 36.367 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 :: 8.500 HA :: 4.237 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 2.282 HG3 :: 2.282 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 :: 121.145 Ave N Shift Values>> N :: 120.67(3.48) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.365 CA :: 56.079 CB :: 63.714 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.382 HB2 :: 3.844 HB3 :: 3.844 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 :: 117.883 Ave N Shift Values>> N :: 116.28(3.52) 1.P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.714 CA :: 63.624 CB :: 31.918 CG :: 27.160 CD :: 50.412 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 :: 4.376 HB2 :: 2.160 HB3 :: 1.652 HG2 :: 1.647 HG3 :: 1.647 HD2 :: 3.759 HD3 :: 3.617 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.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 I 0.17 D 0.12 L 0.1 N 0.04 E 0.01 HN Overlap>> 1.V97 1.V97 C Shift Assignments>> C :: 175.866 CA :: 57.671 CB :: 39.419 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 :: 8.043 HA :: 4.641 HB2 :: 2.972 HB3 :: 3.194 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 :: 118.788 Ave N Shift Values>> N :: 120.45(4.18) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.367 CA :: 58.391 CB :: 63.818 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.072 HA :: 4.431 HB2 :: 3.826 HB3 :: 3.826 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 :: 116.871 Ave N Shift Values>> N :: 116.28(3.52) 1.R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.05 HN Overlap>> 1.K56 1.K6 1.K56 1.K6 1.R33 1.R33 C Shift Assignments>> C :: 176.544 CA :: 56.263 CB :: 30.914 CG :: 27.015 CD :: 43.596 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 :: 8.369 HA :: 4.445 HB2 :: 1.768 HB3 :: 1.909 HG2 :: 1.643 HG3 :: 1.643 HD2 :: 3.192 HD3 :: 3.192 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 :: 123.070 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.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.258 CA :: 62.170 CB :: 69.951 CG2 :: 21.700 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 :: 8.214 HA :: 4.355 HB :: 4.250 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 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 :: 114.517 Ave N Shift Values>> N :: 115.42(4.75) 1.G128 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 :: 174.180 CA :: 45.519 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.462 HA2 :: 3.974 HA3 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.245 Ave N Shift Values>> N :: 109.67(3.87) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.17 K 0.07 Q 0.07 I 0.04 HN Overlap>> 1.R77 1.R77 C Shift Assignments>> C :: 177.014 CA :: 56.759 CB :: 30.424 CG :: 36.348 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 :: 8.255 HA :: 4.307 HB2 :: 1.929 HB3 :: 2.080 HG2 :: 2.243 HG3 :: 2.243 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 :: 120.417 Ave N Shift Values>> N :: 120.67(3.48) 1.G130 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 :: 174.177 CA :: 45.538 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.510 HA2 :: 3.932 HA3 :: 3.932 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.865 Ave N Shift Values>> N :: 109.67(3.87) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.08 G 0.03 A 0.03 HN Overlap>> 1.R88 1.R88 C Shift Assignments>> C :: 177.050 CA :: 55.274 CB :: 42.604 CG :: 27.100 CD1 :: 23.290 CD2 :: 25.042 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 :: 8.040 HA :: 4.327 HB2 :: 1.618 HB3 :: 1.545 HG :: 1.550 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.196 Ave N Shift Values>> N :: 121.86(3.9) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.24 N 0.14 F 0.1 K 0.1 R 0.01 HN Overlap>> 1.E121 1.E121 1.K8 1.K8 C Shift Assignments>> C :: 176.371 CA :: 54.109 CB :: 41.039 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 :: 8.438 HA :: 4.607 HB2 :: 2.728 HB3 :: 2.595 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 :: 121.165 Ave N Shift Values>> N :: 120.65(3.86) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R88 1.R88 C Shift Assignments>> C :: 176.576 CA :: 61.561 CB :: 38.571 CG1 :: 27.239 CG2 :: 17.750 CD1 :: 13.239 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 :: 8.016 HA :: 4.157 HB :: 1.914 HG12 :: 1.404 HG13 :: 1.178 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.032 Ave N Shift Values>> N :: 121.46(4.28) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.13 K 0.05 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 177.049 CA :: 56.402 CB :: 30.681 CG :: 26.964 CD :: 43.482 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 :: 8.360 HA :: 4.321 HB2 :: 1.779 HB3 :: 1.900 HG2 :: 1.649 HG3 :: 1.649 HD2 :: 3.203 HD3 :: 3.203 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 :: 123.969 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.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G138 1.G10 1.G138 1.G10 C Shift Assignments>> C :: 174.034 CA :: 45.496 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.314 HA2 :: 3.945 HA3 :: 3.945 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.222 Ave N Shift Values>> N :: 109.67(3.87) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.29 C Shift Assignments>> C :: 175.439 CA :: 53.340 CB :: 38.996 CG :: 177.282 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 :: 8.347 HA :: 4.691 HB2 :: 2.806 HB3 :: 2.765 HD21 :: 6.890 HD22 :: 7.607 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 :: 118.713 ND2 :: 112.832 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.75 E 0.24 C Shift Assignments>> C :: 176.108 CA :: 56.342 CB :: 29.286 CG :: 33.947 CD :: 180.623 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 :: 8.405 HA :: 4.282 HB2 :: 2.095 HB3 :: 1.945 HG2 :: 2.300 HG3 :: 2.300 HE21 :: 7.480 HE22 :: 6.851 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 :: 120.103 NE2 :: 112.487 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 HN Overlap>> 1.G10 1.G135 1.G10 1.G135 C Shift Assignments>> C :: 173.274 CA :: 45.141 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.291 HA2 :: 3.834 HA3 :: 3.794 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.164 Ave N Shift Values>> N :: 109.67(3.87) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 N 0.28 D 0.22 L 0.1 I 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 174.007 CA :: 55.639 CB :: 38.913 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 :: 7.970 HA :: 4.880 HB2 :: 3.228 HB3 :: 2.902 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 :: 120.783 Ave N Shift Values>> N :: 120.45(4.18) 1.P140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 140 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 137 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 140 #Suspicious: 0 C Shift Results: #Consistent: 544 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 811 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 136 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0