Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.14 W 0.13 Q 0.13 C 0.12 K 0.07 M 0.06 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 176.758 CA :: 56.616 CB :: 30.183 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 :: 8.421 HA :: 4.277 HB2 :: 1.942 HB3 :: 2.064 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 :: 121.737 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N105 1.N105 C Shift Assignments>> C :: 174.694 CA :: 58.101 CB :: 63.765 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.338 HA :: 4.481 HB2 :: 3.882 HB3 :: 3.882 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 :: 116.521 Ave N Shift Values>> N :: 116.28(3.52) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.120 CA :: 58.530 CB :: 63.829 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.574 HA :: 4.476 HB2 :: 3.913 HB3 :: 3.913 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 :: 118.176 Ave N Shift Values>> N :: 116.28(3.52) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.369 CA :: 45.274 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.518 HA2 :: 3.967 HA3 :: 4.023 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.785 Ave N Shift Values>> N :: 109.67(3.87) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.39 K 0.05 G 0.05 C Shift Assignments>> C :: 176.532 CA :: 56.270 CB :: 30.566 CG :: 26.901 CD :: 43.208 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 :: 8.206 HA :: 4.302 HB2 :: 1.735 HB3 :: 1.866 HG2 :: 1.595 HG3 :: 1.595 HD2 :: 3.161 HD3 :: 3.161 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 :: 120.228 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.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 K 0.08 Q 0.06 M 0.06 I 0.04 C Shift Assignments>> C :: 176.399 CA :: 57.006 CB :: 29.838 CG :: 36.231 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 :: 8.626 HA :: 4.194 HB2 :: 1.939 HB3 :: 2.021 HG2 :: 2.253 HG3 :: 2.253 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 :: 120.929 Ave N Shift Values>> N :: 120.67(3.48) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.16 C 0.1 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 175.093 CA :: 53.320 CB :: 38.649 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 :: 8.375 HA :: 4.634 HB2 :: 2.702 HB3 :: 2.774 HD21 :: 7.567 HD22 :: 6.902 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 :: 118.753 ND2 :: 112.674 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.28 A 0.02 R 0.02 G 0.01 C Shift Assignments>> C :: 177.011 CA :: 55.364 CB :: 42.139 CG :: 26.738 CD1 :: 24.728 CD2 :: 23.221 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 :: 8.039 HA :: 4.200 HB2 :: 1.331 HB3 :: 1.460 HG :: 1.454 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 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 :: 121.850 Ave N Shift Values>> N :: 121.86(3.9) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 175.599 CA :: 57.730 CB :: 38.498 CD1 :: 133.017 CD2 :: 133.017 CE1 :: 117.981 CE2 :: 117.981 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 :: 8.010 HA :: 4.491 HB2 :: 2.847 HB3 :: 2.956 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 6.769 HE2 :: 6.769 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 :: 119.513 Ave N Shift Values>> N :: 120.52(4.2) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 HN Overlap>> 1.Y48 1.Y48 C Shift Assignments>> C :: 175.479 CA :: 57.647 CB :: 39.396 CD1 :: 131.585 CD2 :: 131.585 CE1 :: 131.419 CE2 :: 131.419 CZ :: 129.725 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 :: 8.004 HA :: 4.534 HB2 :: 3.008 HB3 :: 3.071 HD1 :: 7.208 HD2 :: 7.208 HE1 :: 7.317 HE2 :: 7.317 HZ :: 7.275 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.334 Ave N Shift Values>> N :: 120.45(4.18) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 E 0.05 M 0.05 R 0.04 C Shift Assignments>> C :: 175.968 CA :: 55.921 CB :: 29.109 CG :: 33.706 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 :: 4.187 HB2 :: 1.907 HB3 :: 2.060 HG2 :: 2.264 HG3 :: 2.264 HE21 :: 7.476 HE22 :: 6.849 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.221 NE2 :: 112.158 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.286 CA :: 45.060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.813 HA2 :: 3.840 HA3 :: 3.840 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.139 Ave N Shift Values>> N :: 109.67(3.87) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.01 C Shift Assignments>> C :: 176.682 CA :: 51.882 CB :: 19.551 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.963 HA :: 4.337 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 :: 123.097 Ave N Shift Values>> N :: 123.23(3.54) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.14 A 0.06 R 0.01 G 0.01 C Shift Assignments>> C :: 174.680 CA :: 52.608 CB :: 41.973 CG :: 26.881 CD1 :: 25.081 CD2 :: 23.221 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 :: 8.066 HA :: 4.638 HB2 :: 1.560 HB3 :: 1.560 HG :: 1.661 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 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 :: 122.131 Ave N Shift Values>> N :: 121.86(3.9) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 P 0.42 C Shift Assignments>> CA :: 61.098 CB :: 30.570 CG :: 27.276 CD :: 50.379 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 :: 4.289 HB2 :: 1.745 HB3 :: 2.187 HG2 :: 2.006 HG3 :: 2.006 HD2 :: 3.571 HD3 :: 3.810 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.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 175.161 CA :: 62.527 CB :: 32.024 CG :: 26.893 CD :: 50.026 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 :: 4.136 HB2 :: 1.315 HB3 :: 1.465 HG2 :: 1.216 HG3 :: 1.558 HD2 :: 3.065 HD3 :: 3.192 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.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.31 K 0.15 G 0.06 HN Overlap>> 1.K86 1.K86 1.E94 1.E94 C Shift Assignments>> C :: 176.628 CA :: 53.375 CB :: 32.403 CG :: 26.524 CD :: 42.956 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 :: 8.163 HA :: 4.762 HB2 :: 1.632 HB3 :: 1.724 HG2 :: 1.502 HG3 :: 1.624 HD2 :: 3.172 HD3 :: 3.172 HE :: 7.162 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 :: 120.074 NE :: 85.000 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.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.21 R 0.16 G 0.04 A 0.01 C Shift Assignments>> C :: 178.636 CA :: 54.075 CB :: 42.895 CG :: 27.645 CD1 :: 25.909 CD2 :: 23.958 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.551 HA :: 4.650 HB2 :: 1.444 HB3 :: 1.569 HG :: 1.429 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.525 Ave N Shift Values>> N :: 121.86(3.9) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.2 C Shift Assignments>> C :: 176.702 CA :: 56.284 CB :: 33.127 CG :: 25.787 CD :: 29.423 CE :: 42.007 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 :: 8.485 HA :: 4.229 HB2 :: 1.802 HB3 :: 1.939 HG2 :: 1.395 HG3 :: 1.431 HD2 :: 1.606 HD3 :: 1.663 HE2 :: 2.914 HE3 :: 2.960 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.434 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 M 0.08 K 0.06 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.631 CA :: 57.383 CB :: 30.196 CG :: 36.282 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 :: 8.443 HA :: 4.086 HB2 :: 2.022 HB3 :: 2.022 HG2 :: 2.254 HG3 :: 2.393 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 :: 121.171 Ave N Shift Values>> N :: 120.67(3.48) 1.M27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.42 A 0.13 C Shift Assignments>> C :: 174.787 CA :: 55.068 CB :: 35.935 CG :: 31.307 CE :: 16.240 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.033 HA :: 4.696 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.550 HG3 :: 2.656 HE1 :: 2.031 HE2 :: 2.031 HE3 :: 2.031 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 :: 125.149 Ave N Shift Values>> N :: 120.09(3.57) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.39 R 0.1 C Shift Assignments>> C :: 176.947 CA :: 56.040 CB :: 33.280 CG :: 24.845 CD :: 28.946 CE :: 41.998 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 :: 8.365 HA :: 4.461 HB2 :: 1.785 HB3 :: 1.926 HG2 :: 1.537 HG3 :: 1.537 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.041 HE3 :: 3.041 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 :: 122.784 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.940 CA :: 60.180 CB :: 63.770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.637 HA :: 4.727 HB2 :: 3.978 HB3 :: 4.243 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 :: 119.523 Ave N Shift Values>> N :: 116.28(3.52) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.42 E 0.04 Q 0.03 C Shift Assignments>> C :: 173.847 CA :: 55.472 CB :: 34.236 CG :: 33.563 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.347 HA :: 4.812 HB2 :: 1.688 HB3 :: 2.081 HG2 :: 2.194 HG3 :: 2.194 HE21 :: 7.627 HE22 :: 6.762 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.418 NE2 :: 111.330 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 M 0.29 E 0.24 C Shift Assignments>> C :: 176.005 CA :: 54.083 CB :: 32.054 CG :: 36.828 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 :: 8.461 HA :: 5.607(S) HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.143 HG3 :: 1.983 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.609 Ave N Shift Values>> N :: 120.67(3.48) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 172.546 CA :: 57.297 CB :: 66.460 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.594 HA :: 4.684 HB2 :: 3.381 HB3 :: 3.460 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 :: 118.435 Ave N Shift Values>> N :: 116.28(3.52) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 C Shift Assignments>> C :: 179.169 CA :: 51.496 CB :: 19.780 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.357 HA :: 4.651 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.652 Ave N Shift Values>> N :: 123.23(3.54) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 C 0.01 C Shift Assignments>> C :: 178.197 CA :: 53.335 CB :: 17.641 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.580 HA :: 3.831 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.703 Ave N Shift Values>> N :: 123.23(3.54) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.323 CA :: 44.842 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.241 HA2 :: 3.288 HA3 :: 4.431 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.136 Ave N Shift Values>> N :: 109.67(3.87) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.284 CA :: 58.557 CB :: 64.715 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.614 HA :: 4.500 HB2 :: 3.857 HB3 :: 3.922 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 :: 116.169 Ave N Shift Values>> N :: 116.28(3.52) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 C 0.35 R 0.05 C Shift Assignments>> C :: 176.425 CA :: 54.568 CB :: 33.893 CG :: 24.637 CD :: 29.599 CE :: 41.765 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 :: 8.126 HA :: 5.258 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 1.291 HG3 :: 1.481 HD2 :: 1.625 HD3 :: 1.625 HE2 :: 2.913 HE3 :: 2.913 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 :: 119.013 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.24 L 0.19 R 0.01 HN Overlap>> 1.E116 1.E116 C Shift Assignments>> C :: 175.158 CA :: 54.443 CB :: 45.611 CG :: 27.775 CD1 :: 26.035 CD2 :: 25.954 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 :: 8.784 HA :: 4.783 HB2 :: 1.295 HB3 :: 1.384 HG :: 1.436 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 HD21 :: 0.621 HD22 :: 0.621 HD23 :: 0.621 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 :: 124.222 Ave N Shift Values>> N :: 121.86(3.9) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.547 CA :: 60.715 CB :: 34.805 CG1 :: 20.383 CG2 :: 21.037 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 :: 8.759 HA :: 4.735 HB :: 1.811 HG11 :: 0.684 HG12 :: 0.684 HG13 :: 0.684 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.177 Ave N Shift Values>> N :: 121.14(4.54) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.24 C 0.21 R 0.05 C Shift Assignments>> C :: 175.013 CA :: 54.052 CB :: 44.148 CG :: 27.773 CD1 :: 25.070 CD2 :: 25.072 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.178 HA :: 4.654 HB2 :: 1.582 HB3 :: 1.842 HG :: 1.441 HD11 :: 0.574 HD12 :: 0.574 HD13 :: 0.574 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.210 Ave N Shift Values>> N :: 121.86(3.9) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.34 K 0.22 G 0.05 C Shift Assignments>> C :: 173.075 CA :: 55.682 CB :: 32.032 CG :: 28.364 CD :: 43.216 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 :: 8.716 HA :: 4.761 HB2 :: 1.707 HB3 :: 1.707 HG2 :: 1.378 HG3 :: 1.495 HD2 :: 3.127 HD3 :: 3.169 HE :: 7.364 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 :: 121.970 NE :: 84.780 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.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.2 K 0.06 G 0.05 C 0.04 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 172.089 CA :: 53.357 CB :: 43.056 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.116 HA :: 4.932 HB2 :: 2.998 HB3 :: 3.261 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.977 Ave N Shift Values>> N :: 120.17(4.64) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.23 E 0.08 Q 0.01 C Shift Assignments>> C :: 174.547 CA :: 54.764 CB :: 34.050 CG :: 35.906 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 :: 9.242 HA :: 5.021 HB2 :: 1.919 HB3 :: 1.991 HG2 :: 2.137 HG3 :: 2.196 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.333 Ave N Shift Values>> N :: 120.67(3.48) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 175.400 CA :: 60.297 CB :: 70.257 CG2 :: 22.498 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 :: 8.323 HA :: 5.067 HB :: 4.570 HG1 :: 5.493 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 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 :: 112.668 Ave N Shift Values>> N :: 115.42(4.75) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.467 CA :: 59.422 CB :: 63.255 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.854 HA :: 4.362 HB2 :: 3.845 HB3 :: 4.087 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 :: 115.855 Ave N Shift Values>> N :: 116.28(3.52) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.109 CA :: 57.403 CB :: 64.386 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.958 HA :: 4.568 HB2 :: 3.726 HB3 :: 3.767 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 :: 116.203 Ave N Shift Values>> N :: 116.28(3.52) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 M 0.09 Q 0.07 K 0.07 I 0.02 HN Overlap>> 1.H7 1.H7 C Shift Assignments>> C :: 175.986 CA :: 56.652 CB :: 30.198 CG :: 36.112 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 :: 8.428 HA :: 4.306 HB2 :: 1.813 HB3 :: 1.919 HG2 :: 2.098 HG3 :: 2.180 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 :: 121.802 Ave N Shift Values>> N :: 120.67(3.48) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 HN Overlap>> 1.F16 1.F16 C Shift Assignments>> C :: 175.890 CA :: 57.407 CB :: 40.927 CD1 :: 133.045 CD2 :: 133.045 CE1 :: 117.974 CE2 :: 117.974 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 :: 8.077 HA :: 4.616 HB2 :: 2.743 HB3 :: 3.087 HD1 :: 7.138 HD2 :: 7.138 HE1 :: 6.813 HE2 :: 6.813 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 :: 121.283 Ave N Shift Values>> N :: 120.52(4.2) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.680 CA :: 58.847 CB :: 63.858 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.475 HA :: 4.478 HB2 :: 3.879 HB3 :: 3.927 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 :: 116.723 Ave N Shift Values>> N :: 116.28(3.52) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.695 CA :: 58.063 CB :: 62.527 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.028 HA :: 4.456 HB2 :: 3.878 HB3 :: 3.942 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.610 Ave N Shift Values>> N :: 116.28(3.52) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.3 C 0.18 A 0.04 R 0.04 C Shift Assignments>> C :: 176.612 CA :: 54.113 CB :: 44.356 CG :: 26.323 CD1 :: 26.531 CD2 :: 23.200 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 :: 8.137 HA :: 4.471 HB2 :: 1.666 HB3 :: 0.807 HG :: 1.541 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.583 HD22 :: 0.583 HD23 :: 0.583 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 :: 121.984 Ave N Shift Values>> N :: 121.86(3.9) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 G 0.11 K 0.08 C Shift Assignments>> C :: 173.748 CA :: 54.584 CB :: 32.946 CG :: 27.270 CD :: 43.469 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 :: 7.900 HA :: 4.726 HB2 :: 1.648 HB3 :: 1.809 HG2 :: 1.592 HG3 :: 1.639 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 :: 120.728 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.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.18 G 0.03 C Shift Assignments>> C :: 176.425 CA :: 56.669 CB :: 42.662 CD1 :: 131.764 CD2 :: 131.764 CE1 :: 131.222 CE2 :: 131.222 CZ :: 128.967 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 :: 8.854 HA :: 5.529 HB2 :: 2.834 HB3 :: 2.686 HD1 :: 7.053 HD2 :: 7.053 HE1 :: 7.012 HE2 :: 7.012 HZ :: 6.886 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 :: 119.961 Ave N Shift Values>> N :: 120.45(4.18) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 R 0.29 K 0.03 HN Overlap>> 1.M96 1.M96 C Shift Assignments>> C :: 173.682 CA :: 55.297 CB :: 38.597 CG :: 25.417 CD :: 29.817 CE :: 41.823 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 :: 9.266 HA :: 4.662 HB2 :: 1.572 HB3 :: 1.572 HG2 :: 1.266 HG3 :: 1.378 HD2 :: 1.618 HD3 :: 1.618 HE2 :: 2.842 HE3 :: 2.918 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 :: 122.534 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.38 C Shift Assignments>> C :: 175.463 CA :: 55.987 CB :: 33.521 CD1 :: 126.064 CE3 :: 120.172 CZ2 :: 115.577 CZ3 :: 120.301 CH2 :: 124.317 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 :: 8.673 HA :: 5.694 HB2 :: 2.896 HB3 :: 3.134 HD1 :: 7.075 HE1 :: 10.288 HE3 :: 7.526 HZ2 :: 7.123 HZ3 :: 6.768 HH2 :: 6.877 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 :: 120.346 NE1 :: 127.896 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 G 0.14 C 0.13 C Shift Assignments>> C :: 174.667 CA :: 55.820 CB :: 43.434 CD1 :: 131.652 CD2 :: 131.652 CE1 :: 130.814 CE2 :: 130.814 CZ :: 128.981 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 :: 9.703 HA :: 5.134 HB2 :: 3.021 HB3 :: 2.422 HD1 :: 6.929 HD2 :: 6.929 HE1 :: 7.113 HE2 :: 7.113 HZ :: 7.148 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 :: 117.680 Ave N Shift Values>> N :: 120.45(4.18) 1.K57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 R 0.29 K 0.26 G 0.03 C Shift Assignments>> C :: 176.465 CA :: 54.549 CB :: 35.710 CG :: 25.160 CD :: 30.009 CE :: 42.672 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 :: 8.864 HA :: 4.708 HB2 :: 1.298 HB3 :: 1.647 HG2 :: 0.185(S) HG3 :: 0.686 HD2 :: 1.451 HD3 :: 1.451 HE2 :: 2.695 HE3 :: 2.783 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 :: 120.320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.21 E 0.15 M 0.09 Y 0.08 F 0.05 D 0.02 K 0.02 C Shift Assignments>> C :: 175.213 CA :: 53.988 CB :: 36.797 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 :: 10.013 HA :: 4.544 HB2 :: 2.946 HB3 :: 3.086 HD21 :: 7.828 HD22 :: 7.184 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 :: 129.683 ND2 :: 113.518 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.470 CA :: 45.221 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.250 HA2 :: 3.446 HA3 :: 4.199 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.544 Ave N Shift Values>> N :: 109.67(3.87) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.31 L 0.09 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.507 CA :: 51.795 CB :: 40.120 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 :: 8.044 HA :: 5.175 HB2 :: 2.743 HB3 :: 2.882 HD21 :: 7.503 HD22 :: 7.023 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 :: 119.339 ND2 :: 114.283 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.3 K 0.13 Q 0.11 I 0.04 M 0.03 C Shift Assignments>> C :: 176.279 CA :: 57.315 CB :: 29.480 CG :: 35.823 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 :: 9.178 HA :: 3.616 HB2 :: 1.726 HB3 :: 1.813 HG2 :: 1.655 HG3 :: 1.879 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.424 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.17 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 175.376 CA :: 53.338 CB :: 42.319 CG :: 26.542 CD1 :: 26.317 CD2 :: 24.058 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 :: 8.907 HA :: 4.734 HB2 :: 1.150 HB3 :: 1.650 HG :: 1.628 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.063 Ave N Shift Values>> N :: 121.86(3.9) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.26 L 0.06 C 0.06 F 0.04 Y 0.03 HN Overlap>> 1.V99 1.V99 C Shift Assignments>> C :: 174.862 CA :: 51.391 CB :: 39.782 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 :: 8.674 HA :: 4.788 HB2 :: 2.804 HB3 :: 3.291 HD21 :: 7.491 HD22 :: 6.745 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 :: 121.439 ND2 :: 112.664 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.44 G 0.06 K 0.03 C Shift Assignments>> C :: 177.749 CA :: 59.216 CB :: 29.832 CG :: 27.264 CD :: 43.264 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 :: 8.518 HA :: 3.965 HB2 :: 1.893 HB3 :: 1.944 HG2 :: 1.713 HG3 :: 1.713 HD2 :: 3.261 HD3 :: 3.261 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 :: 116.403 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.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 C Shift Assignments>> C :: 177.491 CA :: 57.705 CB :: 32.571 CG :: 25.017 CD :: 28.987 CE :: 41.975 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 :: 8.017 HA :: 4.239 HB2 :: 1.831 HB3 :: 1.831 HG2 :: 1.395 HG3 :: 1.451 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.985 HE3 :: 2.985 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 :: 116.659 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>> N 0.53 D 0.22 C 0.07 L 0.05 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.542 CA :: 52.306 CB :: 39.315 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 :: 7.884 HA :: 4.811 HB2 :: 3.070 HB3 :: 2.720 HD21 :: 7.483 HD22 :: 7.037 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.704 ND2 :: 109.648 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 A 0.13 R 0.1 K 0.1 C Shift Assignments>> C :: 174.147 CA :: 55.167 CB :: 30.947 CG :: 22.168 CD :: 28.351 CE :: 40.968 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 :: 7.948 HA :: 4.434 HB2 :: 1.672 HB3 :: 1.921 HG2 :: 1.629 HG3 :: 1.286 HD2 :: 1.515 HD3 :: 1.553 HE2 :: 3.061 HE3 :: 3.222 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 :: 122.248 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> C :: 177.931 CA :: 62.705 CB :: 32.772 CG :: 27.627 CD :: 50.765 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.618 HB2 :: 2.069 HB3 :: 2.508 HG2 :: 2.083 HG3 :: 2.166 HD2 :: 3.376 HD3 :: 4.096 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.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.26 Q 0.26 R 0.08 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.212 CA :: 58.115 CB :: 28.409 CG :: 33.528 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 :: 8.894 HA :: 4.087 HB2 :: 2.132 HB3 :: 2.132 HG2 :: 2.500 HG3 :: 2.500 HE21 :: 7.610 HE22 :: 6.904 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 :: 119.787 NE2 :: 112.417 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.22 E 0.15 M 0.12 Y 0.06 F 0.04 K 0.02 Q 0.01 D 0.01 C Shift Assignments>> C :: 173.069 CA :: 53.719 CB :: 36.453 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 :: 8.587 HA :: 4.637 HB2 :: 2.538 HB3 :: 3.290 HD21 :: 7.540 HD22 :: 7.663 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 :: 113.235 ND2 :: 116.082 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 174.294 CA :: 59.226 CB :: 38.950 CG1 :: 28.302 CG2 :: 16.991 CD1 :: 13.307 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 :: 7.337 HA :: 5.057 HB :: 1.630 HG12 :: 1.054 HG13 :: 1.460 HG21 :: 0.582 HG22 :: 0.582 HG23 :: 0.582 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 120.002 Ave N Shift Values>> N :: 121.46(4.28) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.4 R 0.08 G 0.01 C Shift Assignments>> C :: 174.694 CA :: 54.045 CB :: 35.719 CG :: 24.702 CD :: 28.773 CE :: 42.101 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 :: 4.630 HB2 :: 1.577 HB3 :: 1.673 HG2 :: 1.369 HG3 :: 1.218 HD2 :: 1.621 HD3 :: 1.621 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 :: 126.509 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.679 CA :: 60.235 CB :: 39.966 CG1 :: 28.001 CG2 :: 17.725 CD1 :: 13.497 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 :: 8.722 HA :: 4.716 HB :: 1.557 HG12 :: 0.371 HG13 :: 1.196 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 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 :: 124.982 Ave N Shift Values>> N :: 121.46(4.28) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.28 Q 0.16 E 0.03 C Shift Assignments>> C :: 174.637 CA :: 54.097 CB :: 32.096 CG :: 33.872 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 :: 9.156 HA :: 4.834 HB2 :: 2.007 HB3 :: 1.870 HG2 :: 2.211 HG3 :: 2.211 HE21 :: 7.533 HE22 :: 6.880 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 :: 127.604 NE2 :: 111.676 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.38 R 0.15 G 0.01 C Shift Assignments>> C :: 174.922 CA :: 56.313 CB :: 34.267 CG :: 25.055 CD :: 29.474 CE :: 42.329 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 :: 8.998 HA :: 4.763 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 1.519 HG3 :: 1.519 HD2 :: 1.942 HD3 :: 1.942 HE2 :: 3.137 HE3 :: 3.137 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 :: 126.936 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.3 R 0.11 C Shift Assignments>> CA :: 53.913 CB :: 34.247 CG :: 25.262 CD :: 29.113 CE :: 41.970 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 :: 8.589 HA :: 4.832 HB2 :: 1.442 HB3 :: 2.007 HG2 :: 1.353 HG3 :: 1.398 HD2 :: 1.529 HD3 :: 1.715 HE2 :: 2.828 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) N Shift Assignments>> N :: 125.544 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.022 CA :: 65.450 CB :: 30.946 CG :: 28.174 CD :: 50.045 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 :: 4.452 HB2 :: 1.973 HB3 :: 2.385 HG2 :: 2.031 HG3 :: 2.224 HD2 :: 3.624 HD3 :: 3.834 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.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.327 CA :: 46.003 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.898 HA2 :: 4.046 HA3 :: 4.141 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.523 Ave N Shift Values>> N :: 109.67(3.87) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.33 R 0.02 A 0.01 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 173.162 CA :: 55.548 CB :: 36.450 CG :: 23.846 CD :: 29.476 CE :: 41.791 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 :: 7.980 HA :: 4.982 HB2 :: 1.502 HB3 :: 1.880 HG2 :: 1.137 HG3 :: 1.195 HD2 :: 1.502 HD3 :: 1.502 HE2 :: 2.816 HE3 :: 2.879 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 :: 116.870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.353 CA :: 55.911 CB :: 64.728 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.409 HA :: 4.916 HB2 :: 2.919(S) HB3 :: 2.988 HG :: 5.292 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.969 Ave N Shift Values>> N :: 116.28(3.52) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.22 E 0.1 C Shift Assignments>> C :: 173.015 CA :: 54.072 CB :: 33.552 CG :: 36.847 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 :: 8.672 HA :: 5.393 HB2 :: 1.815 HB3 :: 1.702 HG2 :: 1.921 HG3 :: 2.067 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 :: 126.079 Ave N Shift Values>> N :: 120.67(3.48) 1.L82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.68 C 0.25 R 0.05 C Shift Assignments>> C :: 174.294 CA :: 54.084 CB :: 41.591 CG :: 26.922 CD1 :: 26.520 CD2 :: 25.210 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 :: 8.594 HA :: 4.324 HB2 :: -0.695(S) HB3 :: 0.443 HG :: 0.697 HD11 :: 0.125 HD12 :: 0.125 HD13 :: 0.125 HD21 :: 0.152 HD22 :: 0.152 HD23 :: 0.152 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.994 Ave N Shift Values>> N :: 121.86(3.9) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.31 K 0.13 G 0.09 C Shift Assignments>> C :: 174.756 CA :: 54.212 CB :: 32.053 CG :: 28.007 CD :: 43.421 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.051 HA :: 4.965 HB2 :: 1.603 HB3 :: 1.666 HG2 :: 1.354 HG3 :: 1.466 HD2 :: 2.969 HD3 :: 3.014 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 :: 125.541 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.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 174.756 CA :: 60.511 CB :: 39.394 CG1 :: 26.877 CG2 :: 16.995 CD1 :: 12.938 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 :: 8.798 HA :: 4.217 HB :: 1.561 HG12 :: 0.559 HG13 :: 1.153 HG21 :: 0.566 HG22 :: 0.566 HG23 :: 0.566 HD11 :: 0.384 HD12 :: 0.384 HD13 :: 0.384 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 :: 124.400 Ave N Shift Values>> N :: 121.46(4.28) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.32 L 0.11 C 0.06 F 0.06 Y 0.04 C Shift Assignments>> C :: 173.992 CA :: 52.479 CB :: 40.113 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 :: 8.522 HA :: 4.824 HB2 :: 2.632 HB3 :: 2.763 HD21 :: 7.402 HD22 :: 6.790 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.201 ND2 :: 112.202 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.37 R 0.15 HN Overlap>> 1.R23 1.E94 1.R23 1.E94 C Shift Assignments>> C :: 175.706 CA :: 55.916 CB :: 30.934 CG :: 25.047 CD :: 29.245 CE :: 41.972 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 :: 8.148 HA :: 3.448 HB2 :: 1.638 HB3 :: 1.807 HG2 :: 1.325 HG3 :: 1.325 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.974 HE3 :: 2.974 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 :: 119.983 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.02 C Shift Assignments>> C :: 177.904 CA :: 53.363 CB :: 19.199 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.438 HA :: 3.980 HB1 :: 1.127 HB2 :: 1.127 HB3 :: 1.127 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.897 Ave N Shift Values>> N :: 123.23(3.54) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.21 C Shift Assignments>> C :: 175.697 CA :: 55.963 CB :: 66.915 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.097 HA :: 4.924 HB2 :: 3.859 HB3 :: 4.180 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 :: 120.525 Ave N Shift Values>> N :: 116.28(3.52) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.46 C Shift Assignments>> C :: 179.662 CA :: 58.835 CB :: 40.880 CG :: 27.583 CD1 :: 24.887 CD2 :: 23.351 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 :: 8.857 HA :: 3.948 HB2 :: 1.648 HB3 :: 1.717 HG :: 1.764 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 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 :: 122.349 Ave N Shift Values>> N :: 121.86(3.9) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.01 C Shift Assignments>> C :: 178.197 CA :: 53.557 CB :: 18.457 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.948 HA :: 4.228 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.142 Ave N Shift Values>> N :: 123.23(3.54) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.19 F 0.12 Y 0.09 C 0.05 R 0.04 N 0.03 C Shift Assignments>> C :: 177.078 CA :: 55.614 CB :: 41.567 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 :: 8.255 HA :: 4.730 HB2 :: 2.654 HB3 :: 2.872 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 :: 115.380 Ave N Shift Values>> N :: 120.65(3.86) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.124 CA :: 59.785 CB :: 64.180 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.616 HA :: 4.535 HB2 :: 4.019 HB3 :: 4.295 HG :: 5.700 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 :: 117.557 Ave N Shift Values>> N :: 116.28(3.52) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 170.701 CA :: 45.195 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.300 HA2 :: 4.108 HA3 :: 4.108 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.913 Ave N Shift Values>> N :: 109.67(3.87) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.15 K 0.02 Q 0.02 I 0.01 HN Overlap>> 1.K86 1.R23 1.K86 1.R23 C Shift Assignments>> C :: 176.223 CA :: 55.141 CB :: 30.755 CG :: 36.778 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 :: 8.171 HA :: 5.010 HB2 :: 1.971 HB3 :: 2.088 HG2 :: 1.902 HG3 :: 2.134 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 :: 120.039 Ave N Shift Values>> N :: 120.67(3.48) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 174.036 CA :: 57.037 CB :: 40.849 CD1 :: 133.366 CD2 :: 133.366 CE1 :: 115.993 CE2 :: 115.993 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 :: 9.591 HA :: 5.564 HB2 :: 3.041 HB3 :: 2.864 HD1 :: 7.053 HD2 :: 7.053 HE1 :: 6.606 HE2 :: 6.606 HH :: 9.903 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 :: 130.219 Ave N Shift Values>> N :: 120.52(4.2) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 A 0.34 M 0.17 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 173.615 CA :: 53.352 CB :: 37.734 CG :: 30.935 CE :: 15.907 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.250 HA :: 5.419 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 1.984 HG3 :: 2.345 HE1 :: 1.472 HE2 :: 1.472 HE3 :: 1.472 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 :: 122.527 Ave N Shift Values>> N :: 120.09(3.57) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.05 C 0.05 C Shift Assignments>> C :: 172.563 CA :: 52.302 CB :: 47.174 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.095 HA :: 4.858 HB2 :: 1.932 HB3 :: 2.149 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.344 Ave N Shift Values>> N :: 120.17(4.64) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.2 K 0.18 C Shift Assignments>> C :: 174.534 CA :: 54.352 CB :: 37.167 CG :: 25.399 CD :: 29.845 CE :: 41.598 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 :: 9.208 HA :: 5.119 HB2 :: 1.503 HB3 :: 1.766 HG2 :: 1.202 HG3 :: 1.294 HD2 :: 1.436 HD3 :: 1.532 HE2 :: 2.441 HE3 :: 2.545 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 :: 125.733 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.16 A 0.03 HN Overlap>> 1.N63 1.N63 C Shift Assignments>> C :: 172.859 CA :: 57.705 CB :: 34.273 CG1 :: 20.676 CG2 :: 23.521 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 :: 8.708 HA :: 4.911 HB :: 1.508 HG11 :: 0.530 HG12 :: 0.530 HG13 :: 0.530 HG21 :: 0.191 HG22 :: 0.191 HG23 :: 0.191 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.440 Ave N Shift Values>> N :: 121.14(4.54) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 175.666 CA :: 59.568 CB :: 41.159 CG1 :: 27.703 CG2 :: 17.763 CD1 :: 14.036 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 :: 8.577 HA :: 4.563 HB :: 1.448 HG12 :: 0.974 HG13 :: 1.225 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 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 :: 126.324 Ave N Shift Values>> N :: 121.46(4.28) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 S 0.16 HN Overlap>> 1.V115 1.V115 C Shift Assignments>> C :: 175.769 CA :: 56.396 CB :: 68.028 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.196 HA :: 4.928 HB2 :: 3.670 HB3 :: 4.060 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.390 Ave N Shift Values>> N :: 116.28(3.52) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> C :: 177.206 CA :: 58.457 CB :: 32.031 CG :: 24.885 CD :: 29.086 CE :: 41.956 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>> HA :: 4.164 HB2 :: 1.859 HB3 :: 1.859 HG2 :: 1.489 HG3 :: 1.489 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 2.985 HE3 :: 2.985 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) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.22 R 0.08 A 0.05 G 0.03 HN Overlap>> 1.K79 1.K79 C Shift Assignments>> C :: 176.279 CA :: 54.451 CB :: 42.768 CG :: 27.260 CD1 :: 25.428 CD2 :: 22.856 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 :: 7.959 HA :: 4.314 HB2 :: 1.435 HB3 :: 1.506 HG :: 1.499 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 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 :: 116.783 Ave N Shift Values>> N :: 121.86(3.9) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.474 CA :: 44.226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.214 HA2 :: 3.687 HA3 :: 4.472 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.925 Ave N Shift Values>> N :: 109.67(3.87) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.2 C 0.06 K 0.05 F 0.03 Y 0.02 R 0.02 G 0.01 HN Overlap>> 1.S8 1.S8 C Shift Assignments>> C :: 174.614 CA :: 51.128 CB :: 41.592 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 :: 8.375 HA :: 5.541 HB2 :: 2.645 HB3 :: 2.909 HD21 :: 7.350 HD22 :: 6.632 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 :: 116.502 ND2 :: 111.038 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.25 R 0.07 D 0.04 C 0.04 F 0.01 C Shift Assignments>> C :: 174.393 CA :: 53.724 CB :: 44.724 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 :: 8.415 HA :: 5.040 HB2 :: 2.105 HB3 :: 2.819 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 :: 116.982 Ave N Shift Values>> N :: 120.65(3.86) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 171.870 CA :: 57.352 CB :: 66.578 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.282 HA :: 5.523 HB2 :: 3.650 HB3 :: 3.650 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.951 Ave N Shift Values>> N :: 116.28(3.52) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.39 C 0.12 K 0.01 C Shift Assignments>> C :: 175.053 CA :: 51.532 CB :: 22.483 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.889 HA :: 4.731 HB1 :: 1.489 HB2 :: 1.489 HB3 :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.734 Ave N Shift Values>> N :: 123.23(3.54) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 T 0.23 C Shift Assignments>> C :: 172.656 CA :: 57.040 CB :: 66.815 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.514 HA :: 5.705 HB2 :: 3.673 HB3 :: 3.673 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.864 Ave N Shift Values>> N :: 116.28(3.52) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.19 C 0.15 K 0.06 C Shift Assignments>> C :: 175.280 CA :: 51.508 CB :: 23.253 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.256 HA :: 4.623 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.209 Ave N Shift Values>> N :: 123.23(3.54) 1.N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.26 L 0.15 F 0.07 Y 0.06 C 0.06 K 0.02 C Shift Assignments>> C :: 174.519 CA :: 53.313 CB :: 40.416 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 :: 8.873 HA :: 5.380 HB2 :: 2.673 HB3 :: 2.754 HD21 :: 7.556 HD22 :: 6.894 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 :: 120.073 ND2 :: 112.687 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.37 A 0.04 C Shift Assignments>> C :: 176.092 CA :: 57.741 CB :: 37.860 CG1 :: 27.279 CG2 :: 17.710 CD1 :: 10.756 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.293 HA :: 5.058 HB :: 2.423 HG12 :: 1.070 HG13 :: 1.548 HG21 :: 0.631 HG22 :: 0.631 HG23 :: 0.631 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.814 Ave N Shift Values>> N :: 121.46(4.28) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 171.643 CA :: 61.811 CB :: 70.610 CG2 :: 21.388 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 :: 8.693 HA :: 4.519 HB :: 3.960 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 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 :: 125.246 Ave N Shift Values>> N :: 115.42(4.75) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.1 I 0.02 C Shift Assignments>> C :: 175.506 CA :: 56.294 CB :: 35.339 CG1 :: 25.804 CG2 :: 16.301 CD1 :: 9.932 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 :: 8.411 HA :: 5.060 HB :: 1.883 HG12 :: 1.321 HG13 :: 1.321 HG21 :: 0.485 HG22 :: 0.485 HG23 :: 0.485 HD11 :: 0.312 HD12 :: 0.312 HD13 :: 0.312 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.999 Ave N Shift Values>> N :: 121.46(4.28) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 HN Overlap>> 1.S101 1.S101 C Shift Assignments>> C :: 175.733 CA :: 59.590 CB :: 34.232 CG1 :: 21.391 CG2 :: 18.865 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 :: 8.198 HA :: 4.443 HB :: 2.023 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.414 Ave N Shift Values>> N :: 121.14(4.54) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.38 M 0.1 I 0.03 K 0.02 Q 0.02 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 176.300 CA :: 56.584 CB :: 30.571 CG :: 36.812 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 :: 8.789 HA :: 4.366 HB2 :: 1.949 HB3 :: 2.078 HG2 :: 2.241 HG3 :: 2.321 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.157 Ave N Shift Values>> N :: 120.67(3.48) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.375 CA :: 57.778 CB :: 63.992 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.442 HA :: 4.484 HB2 :: 3.863 HB3 :: 3.863 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 :: 117.357 Ave N Shift Values>> N :: 116.28(3.52) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.16 L 0.16 F 0.14 Y 0.12 C 0.07 K 0.02 C Shift Assignments>> CA :: 54.811 CB :: 40.250 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 :: 8.186 HA :: 4.504 HB2 :: 2.678 HB3 :: 2.771 HD21 :: 7.516 HD22 :: 6.816 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 :: 126.396 ND2 :: 112.672 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 493 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 797 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E31 HA = 5.607(S), Expected = 4.25, Std = 0.4100, ChiSquare = 9.3377e-04 1.K57 HG2 = 0.185(S), Expected = 1.37, Std = 0.2600, ChiSquare = 5.1719e-06 1.S80 HB2 = 2.919(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.2105e-04 1.L82 HB2 = -0.695(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.2067e-11