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.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.853 CA :: 45.270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.920 HA3 :: 3.920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.04 G 0.02 A 0.02 C Shift Assignments>> C :: 177.100 CA :: 55.220 CB :: 42.414 CG :: 26.971 CD1 :: 23.510 CD2 :: 24.792 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 :: 7.980 HA :: 4.282 HB2 :: 1.488 HB3 :: 1.529 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 122.124 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 K 0.18 W 0.12 M 0.1 R 0.1 Q 0.08 H 0.08 P 0.02 C Shift Assignments>> C :: 174.343 CA :: 59.791 CB :: 32.641 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 :: 8.043 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 :: 123.303 Ave N Shift Values>> N :: 121.14(4.54) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.865 CA :: 63.127 CB :: 32.164 CG :: 27.428 CD :: 51.177 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 :: 4.327 HB2 :: 2.215 HB3 :: 1.812 HG2 :: 1.891 HG3 :: 1.967 HD2 :: 3.788 HD3 :: 3.598 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.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.2 W 0.17 M 0.14 Q 0.13 K 0.11 V 0.01 C Shift Assignments>> C :: 176.920 CA :: 56.387 CB :: 30.901 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 :: 8.440 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 :: 122.757 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.G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.77 A 0.22 C Shift Assignments>> C :: 175.902 CA :: 55.574 CB :: 33.166 CG :: 31.929 CE :: 17.204 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.489 HB2 :: 1.921 HB3 :: 2.026 HE1 :: 1.905 HE2 :: 1.905 HE3 :: 1.905 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.608 CA :: 59.291 CB :: 64.517 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.910 HA :: 3.907 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 :: 119.166 Ave N Shift Values>> N :: 116.28(3.52) 1.G23 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 :: 173.307 CA :: 45.717 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.201 HA2 :: 4.177 HA3 :: 3.906 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.746 Ave N Shift Values>> N :: 109.67(3.87) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.34 L 0.12 F 0.07 Y 0.06 HN Overlap>> 1.Y67 1.Y67 C Shift Assignments>> C :: 174.475 CA :: 52.886 CB :: 40.093 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 :: 8.222 HA :: 4.773 HB2 :: 2.953 HB3 :: 2.675 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 :: 120.663 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 I 0.05 V 0.01 C Shift Assignments>> C :: 179.161 CA :: 55.715 CB :: 18.791 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.541 HA :: 3.000 HB1 :: 1.012 HB2 :: 1.012 HB3 :: 1.012 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.069 Ave N Shift Values>> N :: 123.23(3.54) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.31 I 0.1 N 0.07 D 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 177.510 CA :: 57.122 CB :: 38.390 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 :: 8.088 HA :: 4.245 HB2 :: 2.861 HB3 :: 2.927 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 :: 115.401 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.458 CA :: 66.077 CB :: 68.714 CG2 :: 22.034 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 :: 8.083 HA :: 3.840 HB :: 4.222 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.386 Ave N Shift Values>> N :: 115.42(4.75) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.33 D 0.09 I 0.09 L 0.08 N 0.03 C Shift Assignments>> C :: 178.978 CA :: 57.535 CB :: 39.690 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 :: 8.448 HA :: 4.457 HB2 :: 2.922 HB3 :: 2.922 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 :: 123.973 Ave N Shift Values>> N :: 120.65(3.86) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.44 C Shift Assignments>> C :: 176.377 CA :: 62.373 CB :: 37.806 CD2 :: 132.131 CE2 :: 117.456 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 :: 8.854 HA :: 3.267 HB2 :: 2.473 HB3 :: 2.226 HD1 :: 5.975 HD2 :: 5.975 HE1 :: 6.414 HE2 :: 6.414 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.935 Ave N Shift Values>> N :: 120.52(4.2) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 N 0.23 F 0.22 M 0.07 D 0.06 I 0.05 L 0.02 K 0.01 HN Overlap>> 1.N144 1.N144 C Shift Assignments>> C :: 178.277 CA :: 55.879 CB :: 37.596 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 :: 7.896 HA :: 3.992 HB2 :: 2.754 HB3 :: 2.531 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 :: 117.008 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.48 I 0.02 C Shift Assignments>> C :: 179.369 CA :: 54.592 CB :: 18.025 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.894 HA :: 3.982 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.317 Ave N Shift Values>> N :: 123.23(3.54) 1.A32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.76 A 0.2 I 0.02 C Shift Assignments>> C :: 178.604 CA :: 54.808 CB :: 16.006 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.164 HA :: 3.374 HB1 :: 0.045(S) HB2 :: 0.045(S) HB3 :: 0.045(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.401 Ave N Shift Values>> N :: 123.23(3.54) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.058 CA :: 60.896 CB :: 35.724 CG1 :: 26.315 CG2 :: 17.460 CD1 :: 10.110 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 :: 7.567 HA :: 3.369 HB :: 1.591 HG12 :: 0.793 HG13 :: 0.872 HG21 :: 0.570 HG22 :: 0.570 HG23 :: 0.570 HD11 :: 0.407 HD12 :: 0.407 HD13 :: 0.407 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 :: 117.695 Ave N Shift Values>> N :: 121.46(4.28) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.02 C Shift Assignments>> C :: 180.991 CA :: 54.747 CB :: 17.513 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.376 HA :: 3.893 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.482 Ave N Shift Values>> N :: 123.23(3.54) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.02 G 0.01 K 0.01 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 178.201 CA :: 57.302 CB :: 42.070 CG :: 25.888 CD2 :: 22.499 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 :: 7.081 HA :: 3.936 HB2 :: 1.790 HB3 :: 1.120 HG :: 0.694 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 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 :: 118.013 Ave N Shift Values>> N :: 121.86(3.9) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y56 1.Y56 C Shift Assignments>> C :: 177.301 CA :: 64.892 CB :: 31.177 CG1 :: 20.106 CG2 :: 24.870 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 :: 7.495 HA :: 3.291 HB :: 1.735 HG11 :: 0.256 HG12 :: 0.256 HG13 :: 0.256 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.496 Ave N Shift Values>> N :: 121.14(4.54) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.39 R 0.11 M 0.05 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 174.809 CA :: 56.299 CB :: 28.526 CG :: 33.738 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.191 HA :: 3.939 HB2 :: 2.115 HB3 :: 1.815 HG2 :: 2.400 HG3 :: 2.282 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.838 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.25 N 0.13 K 0.09 F 0.05 R 0.03 Y 0.03 C Shift Assignments>> C :: 177.554 CA :: 52.398 CB :: 41.722 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 :: 7.379 HA :: 4.708 HB2 :: 3.042 HB3 :: 2.314 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 :: 120.598 Ave N Shift Values>> N :: 120.65(3.86) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.25 G 0.01 C Shift Assignments>> C :: 177.478 CA :: 59.041 CB :: 31.974 CG :: 24.829 CD :: 28.910 CE :: 42.220 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 :: 9.010 HA :: 3.963 HB2 :: 1.882 HB3 :: 1.882 HG2 :: 1.499 HG3 :: 1.502 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.175 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.100 CA :: 59.683 CB :: 64.255 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.915 HA :: 3.933 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 :: 115.745 Ave N Shift Values>> N :: 116.28(3.52) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.42 L 0.05 G 0.03 C Shift Assignments>> C :: 176.698 CA :: 54.079 CB :: 29.882 CG :: 25.863 CD :: 42.503 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 :: 7.803 HA :: 5.101 HB2 :: 1.828 HB3 :: 2.269 HG2 :: 1.257 HG3 :: 1.621 HD2 :: 3.015 HD3 :: 3.015 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 :: 121.867 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.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.41 I 0.11 R 0.04 M 0.02 C Shift Assignments>> C :: 178.984 CA :: 58.891 CB :: 28.844 CG :: 34.732 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.969 HA :: 3.843 HB2 :: 2.061 HB3 :: 2.091 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 :: 118.354 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 I 0.12 D 0.07 L 0.06 N 0.02 C Shift Assignments>> C :: 178.760 CA :: 57.832 CB :: 39.474 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 :: 8.553 HA :: 4.429 HB2 :: 2.639 HB3 :: 2.639 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 :: 120.553 Ave N Shift Values>> N :: 120.65(3.86) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 D 0.17 L 0.15 I 0.04 K 0.04 N 0.04 HN Overlap>> 1.Q125 1.Q125 C Shift Assignments>> C :: 179.221 CA :: 56.842 CB :: 40.264 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 :: 7.812 HA :: 4.296 HB2 :: 2.634 HB3 :: 2.634 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 :: 121.653 Ave N Shift Values>> N :: 120.65(3.86) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.35 I 0.03 C Shift Assignments>> C :: 177.871 CA :: 55.035 CB :: 17.702 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.500 HA :: 3.725 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.451 Ave N Shift Values>> N :: 123.23(3.54) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.02 A 0.01 HN Overlap>> 1.K113 1.K113 C Shift Assignments>> C :: 177.693 CA :: 60.196 CB :: 32.840 CG :: 33.945 CE :: 19.003 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 :: 7.669 HA :: 3.851 HB2 :: 2.210 HB3 :: 2.285 HG2 :: 2.314 HG3 :: 2.506 HE1 :: 2.141 HE2 :: 2.141 HE3 :: 2.141 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 :: 117.818 Ave N Shift Values>> N :: 120.09(3.57) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.918 CA :: 66.256 CB :: 32.259 CG1 :: 22.794 CG2 :: 21.111 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 :: 7.370 HA :: 3.609 HB :: 1.994 HG11 :: 1.018 HG12 :: 1.018 HG13 :: 1.018 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.517 Ave N Shift Values>> N :: 121.14(4.54) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.35 I 0.04 HN Overlap>> 1.A119 1.A119 C Shift Assignments>> C :: 182.444 CA :: 55.240 CB :: 17.921 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.026 HA :: 4.082 HB1 :: 1.187 HB2 :: 1.187 HB3 :: 1.187 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.014 Ave N Shift Values>> N :: 123.23(3.54) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 Y 0.11 F 0.11 C Shift Assignments>> C :: 177.982 CA :: 63.159 CB :: 38.809 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 :: 8.572 HA :: 4.465 HB2 :: 3.011 HB3 :: 2.855 HD1 :: 6.943 HD2 :: 6.943 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 :: 118.882 Ave N Shift Values>> N :: 120.45(4.18) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.32 I 0.26 R 0.04 C Shift Assignments>> C :: 179.572 CA :: 59.722 CB :: 28.422 CG :: 34.952 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 :: 8.548 HA :: 3.976 HB2 :: 2.343 HB3 :: 2.013 HG2 :: 2.617 HG3 :: 2.617 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 :: 121.247 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 Y 0.26 F 0.19 M 0.09 D 0.06 I 0.04 L 0.02 K 0.02 C Shift Assignments>> C :: 176.406 CA :: 55.521 CB :: 37.370 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 :: 8.668 HA :: 4.378 HB2 :: 2.815 HB3 :: 2.617 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 :: 118.700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 176.409 CA :: 62.937 CB :: 40.173 CD1 :: 131.173 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 :: 8.314 HA :: 4.199 HB2 :: 3.633 HB3 :: 3.291 HD1 :: 7.121 HD2 :: 7.121 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 :: 122.623 Ave N Shift Values>> N :: 120.45(4.18) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.385 CA :: 64.828 CB :: 38.540 CG1 :: 29.254 CG2 :: 17.974 CD1 :: 14.729 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 :: 7.922 HA :: 3.735 HB :: 1.971 HG12 :: 1.360 HG13 :: 1.900 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 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 :: 114.976 Ave N Shift Values>> N :: 121.46(4.28) 1.K54 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 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 178.016 CA :: 58.042 CB :: 32.805 CG :: 24.818 CD :: 29.345 CE :: 42.141 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 :: 7.017 HA :: 4.014 HB2 :: 1.787 HB3 :: 1.787 HG2 :: 1.363 HG3 :: 1.363 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.903 HE3 :: 2.903 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.004 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.33 D 0.24 F 0.15 Y 0.14 L 0.09 I 0.01 HN Overlap>> 1.N144 1.N144 C Shift Assignments>> C :: 175.620 CA :: 54.551 CB :: 39.249 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 :: 7.958 HA :: 4.168 HB2 :: 2.210 HB3 :: 1.578(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.103 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 Y 0.22 F 0.17 D 0.1 M 0.04 L 0.03 I 0.02 HN Overlap>> 1.V36 1.V36 C Shift Assignments>> C :: 173.372 CA :: 55.083 CB :: 37.915 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.555 HA :: 4.975 HB2 :: 2.129 HB3 :: 2.736 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.579 Ave N Shift Values>> N :: 120.52(4.2) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.484 CA :: 64.675 CB :: 32.021 CG :: 27.178 CD :: 50.221 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 :: 4.442 HB2 :: 2.280 HB3 :: 1.988 HG2 :: 1.795 HG3 :: 1.890 HD2 :: 3.200 HD3 :: 3.491 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.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.24 N 0.13 K 0.1 F 0.06 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.388 CA :: 53.115 CB :: 41.456 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 :: 8.363 HA :: 4.818 HB2 :: 2.708 HB3 :: 2.708 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 :: 117.724 Ave N Shift Values>> N :: 120.65(3.86) 1.S59 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 :: 58.755 CB :: 64.490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.475 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 :: 114.322 Ave N Shift Values>> N :: 116.28(3.52) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 175.424 CA :: 64.135 CB :: 68.388 CG2 :: 21.397 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>> HA :: 4.050 HB :: 4.051 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.767 CA :: 58.367 CB :: 38.575 CD1 :: 131.962 CE1 :: 117.865 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 :: 8.225 HA :: 4.425 HB2 :: 2.657 HB3 :: 2.515 HD1 :: 6.427 HD2 :: 6.427 HE1 :: 6.526 HE2 :: 6.526 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.651 Ave N Shift Values>> N :: 120.52(4.2) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.32 F 0.31 L 0.01 HN Overlap>> 1.Y85 1.Y85 C Shift Assignments>> C :: 176.627 CA :: 60.039 CB :: 39.604 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 :: 7.494 HA :: 3.670 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 :: 121.177 Ave N Shift Values>> N :: 121.86(3.9) 1.P63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.86 G 0.13 C Shift Assignments>> C :: 177.669 CA :: 66.508 CB :: 29.726 CG :: 27.514 CD :: 48.934 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 :: 3.901 HB2 :: 1.748 HB3 :: 1.935 HG2 :: 1.256 HG3 :: 1.256 HD2 :: 2.365(S) HD3 :: 3.666 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.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.27 N 0.12 I 0.08 D 0.06 M 0.04 L 0.03 C Shift Assignments>> C :: 176.759 CA :: 56.645 CB :: 37.948 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 :: 7.301 HA :: 4.161 HB2 :: 3.273 HB3 :: 3.018 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 :: 115.227 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.29 L 0.04 V 0.03 I 0.02 C Shift Assignments>> C :: 178.335 CA :: 55.327 CB :: 19.645 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.618 HA :: 3.864 HB1 :: 1.653 HB2 :: 1.653 HB3 :: 1.653 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 123.23(3.54) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.27 L 0.13 D 0.1 K 0.07 I 0.07 N 0.01 HN Overlap>> 1.K120 1.K120 C Shift Assignments>> C :: 176.593 CA :: 57.684 CB :: 40.530 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 :: 8.192 HA :: 3.869 HB2 :: 2.782 HB3 :: 2.582 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 :: 115.626 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 F 0.41 HN Overlap>> 1.L143 1.L143 1.N24 1.N24 C Shift Assignments>> C :: 176.655 CA :: 63.065 CB :: 38.036 CD2 :: 132.394 CE2 :: 118.310 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 :: 8.212 HA :: 3.621 HB2 :: 3.051 HB3 :: 2.763 HD1 :: 6.213 HD2 :: 6.213 HE1 :: 5.964 HE2 :: 5.964 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.717 Ave N Shift Values>> N :: 120.52(4.2) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.897 CA :: 60.653 CB :: 28.799 CD1 :: 124.673 CE3 :: 120.185 CZ2 :: 114.509 CZ3 :: 121.980 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 :: 8.337 HA :: 4.100 HB2 :: 2.342 HB3 :: 2.004 HD1 :: 7.205 HE3 :: 7.389 HZ2 :: 7.479 HZ3 :: 7.059 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.292 NE1 :: 127.787 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 180.834 CA :: 58.290 CB :: 39.858 CG :: 27.015 CD1 :: 25.992 CD2 :: 24.728 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 :: 7.663 HA :: 3.782 HB2 :: 1.081 HB3 :: 1.081 HD11 :: -0.071 HD12 :: -0.071 HD13 :: -0.071 HD21 :: -0.071 HD22 :: -0.071 HD23 :: -0.071 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 :: 119.890 Ave N Shift Values>> N :: 121.86(3.9) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.65 P 0.16 A 0.09 L 0.03 N 0.03 C Shift Assignments>> C :: 174.338 CA :: 47.905 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.868 HA2 :: 1.927(S) HA3 :: 3.239 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.481 Ave N Shift Values>> N :: 109.67(3.87) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 Q 0.41 R 0.06 M 0.05 I 0.02 C Shift Assignments>> C :: 178.320 CA :: 58.833 CB :: 29.056 CG :: 33.610 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 :: 3.825 HB2 :: 1.776 HB3 :: 1.907 HG2 :: 2.202 HG3 :: 2.202 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.963 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.23 G 0.01 C Shift Assignments>> C :: 180.835 CA :: 58.313 CB :: 41.910 CG :: 27.801 CD1 :: 25.969 CD2 :: 23.080 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 :: 9.289 HA :: 4.114 HB2 :: 1.790 HB3 :: 1.518 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 :: 120.079 Ave N Shift Values>> N :: 121.86(3.9) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.32 I 0.2 D 0.02 L 0.02 N 0.01 M 0.01 C Shift Assignments>> C :: 176.952 CA :: 58.297 CB :: 38.378 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 :: 7.709 HA :: 4.269 HB2 :: 2.931 HB3 :: 2.636 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 :: 118.131 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.172 CA :: 63.413 CB :: 38.361 CD1 :: 132.478 CE1 :: 118.708 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 :: 8.889 HA :: 3.446 HB2 :: 2.909 HB3 :: 3.423 HD1 :: 6.923 HD2 :: 6.923 HE1 :: 6.789 HE2 :: 6.789 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.300 Ave N Shift Values>> N :: 120.52(4.2) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 Y 0.24 F 0.18 D 0.08 M 0.06 I 0.03 L 0.03 K 0.01 C Shift Assignments>> C :: 176.719 CA :: 55.240 CB :: 37.707 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 :: 8.866 HA :: 4.376 HB2 :: 2.973 HB3 :: 2.973 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 :: 120.548 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 C Shift Assignments>> C :: 176.264 CA :: 55.920 CB :: 33.396 CG :: 24.939 CD :: 29.623 CE :: 41.821 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 :: 7.299 HA :: 4.421 HB2 :: 1.904 HB3 :: 1.904 HG2 :: 1.562 HG3 :: 1.670 HE2 :: 2.902 HE3 :: 2.967 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 :: 117.805 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.530 CA :: 45.439 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.780 HA2 :: 4.226 HA3 :: 3.414 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.011 Ave N Shift Values>> N :: 109.67(3.87) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.4 L 0.03 G 0.02 A 0.02 C Shift Assignments>> C :: 177.494 CA :: 54.259 CB :: 29.336 CG :: 24.222 CD :: 28.943 CE :: 42.125 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 :: 7.986 HA :: 4.589 HB2 :: 2.044 HB3 :: 1.946 HG2 :: 1.399 HG3 :: 1.262 HD2 :: 1.673 HD3 :: 1.721 HE2 :: 2.980 HE3 :: 2.980 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 :: 125.085 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.37 G 0.02 C Shift Assignments>> C :: 177.733 CA :: 60.612 CB :: 32.246 CG :: 27.219 CD :: 29.386 CE :: 42.110 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 :: 7.725 HA :: 3.762 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 1.047 HG3 :: 1.349 HD2 :: 1.561 HD3 :: 1.597 HE2 :: 2.662 HE3 :: 2.662 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 :: 120.267 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.34 I 0.1 D 0.08 L 0.07 N 0.02 C Shift Assignments>> C :: 179.259 CA :: 57.637 CB :: 39.518 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 :: 8.304 HA :: 4.483 HB2 :: 2.586 HB3 :: 2.636 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 :: 120.888 Ave N Shift Values>> N :: 120.65(3.86) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.12 L 0.12 I 0.07 K 0.03 N 0.02 C Shift Assignments>> C :: 178.034 CA :: 57.377 CB :: 40.149 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 :: 7.963 HA :: 4.337 HB2 :: 2.478 HB3 :: 2.478 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 :: 122.797 Ave N Shift Values>> N :: 120.65(3.86) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.45 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 177.808 CA :: 55.711 CB :: 19.079 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.272 HA :: 4.020 HB1 :: 1.593 HB2 :: 1.593 HB3 :: 1.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.181 Ave N Shift Values>> N :: 123.23(3.54) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.23 I 0.08 C Shift Assignments>> C :: 179.164 CA :: 56.042 CB :: 18.051 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.280 HA :: 3.929 HB1 :: 1.664 HB2 :: 1.664 HB3 :: 1.664 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.413 Ave N Shift Values>> N :: 123.23(3.54) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 F 0.28 C Shift Assignments>> C :: 178.504 CA :: 61.437 CB :: 37.486 CD2 :: 133.071 CE2 :: 117.991 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.462 HA :: 4.009 HB2 :: 2.981 HB3 :: 2.981 HD1 :: 6.268 HD2 :: 6.268 HE1 :: 6.435 HE2 :: 6.435 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.829 Ave N Shift Values>> N :: 120.52(4.2) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 F 0.24 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 179.241 CA :: 63.682 CB :: 37.887 CD2 :: 133.405 CE2 :: 118.591 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.529 HA :: 3.804 HB2 :: 3.322 HB3 :: 3.322 HD1 :: 7.223 HD2 :: 7.223 HE1 :: 6.764 HE2 :: 6.764 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 :: 121.140 Ave N Shift Values>> N :: 120.52(4.2) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 Y 0.28 F 0.25 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 178.375 CA :: 60.591 CB :: 38.747 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 :: 8.662 HA :: 4.398 HB2 :: 3.402 HB3 :: 2.622 HD1 :: 6.756 HD2 :: 6.756 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 :: 118.407 Ave N Shift Values>> N :: 120.45(4.18) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.03 C Shift Assignments>> C :: 180.368 CA :: 55.085 CB :: 17.848 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.669 HA :: 3.892 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.334 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 0.99 C Shift Assignments>> C :: 176.761 CA :: 61.795 CB :: 62.543 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.577 HA :: 3.807 HB2 :: 3.800 HB3 :: 3.800 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 :: 115.089 Ave N Shift Values>> N :: 116.28(3.52) 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 :: 176.612 CA :: 67.210 CB :: 31.802 CG1 :: 21.641 CG2 :: 23.810 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 :: 7.614 HA :: 3.788 HB :: 2.348 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.277 Ave N Shift Values>> N :: 121.14(4.54) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q37 1.Q37 C Shift Assignments>> C :: 177.012 CA :: 66.387 CB :: 32.240 CG1 :: 22.601 CG2 :: 21.888 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 :: 7.100 HA :: 3.297 HB :: 2.060 HG11 :: 1.047 HG12 :: 1.047 HG13 :: 1.047 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 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 :: 116.800 Ave N Shift Values>> N :: 121.14(4.54) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.13 G 0.01 C Shift Assignments>> C :: 178.041 CA :: 58.614 CB :: 33.569 CG :: 24.762 CD :: 29.178 CE :: 42.208 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 :: 8.037 HA :: 3.934 HB2 :: 1.711 HB3 :: 1.568 HG2 :: 1.207 HG3 :: 1.296 HD2 :: 1.492 HD3 :: 1.492 HE2 :: 2.844 HE3 :: 2.844 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 :: 115.970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.24 F 0.15 Y 0.14 L 0.09 I 0.01 C Shift Assignments>> C :: 175.045 CA :: 54.549 CB :: 39.273 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 :: 7.941 HA :: 4.381 HB2 :: 2.267 HB3 :: 1.756 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 :: 113.224 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 Y 0.2 F 0.17 D 0.15 L 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 174.233 CA :: 54.959 CB :: 38.446 CE2 :: 117.681 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 :: 8.006 HA :: 5.299 HB2 :: 3.167 HB3 :: 3.047 HD1 :: 7.151 HD2 :: 7.151 HE1 :: 6.735 HE2 :: 6.735 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.644 Ave N Shift Values>> N :: 120.52(4.2) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.748 CA :: 65.039 CB :: 32.131 CG :: 27.523 CD :: 50.464 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 :: 4.321 HB2 :: 2.570 HB3 :: 2.001 HG2 :: 1.809 HG3 :: 2.011 HD2 :: 3.175 HD3 :: 3.469 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.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.31 G 0.01 HN Overlap>> 1.F86 1.F86 C Shift Assignments>> C :: 177.343 CA :: 55.480 CB :: 31.843 CG :: 25.475 CD :: 29.089 CE :: 42.279 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 :: 8.755 HA :: 4.656 HB2 :: 1.800 HB3 :: 2.057 HG2 :: 1.390 HG3 :: 1.432 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.971 HE3 :: 2.971 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.352 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.666 CA :: 56.968 CB :: 63.901 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.986 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 :: 118.489 Ave N Shift Values>> N :: 116.28(3.52) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.166 CA :: 65.247 CB :: 32.211 CG :: 27.703 CD :: 51.172 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 :: 4.369 HB2 :: 2.409 HB3 :: 1.875 HG2 :: 2.049 HG3 :: 2.049 HD2 :: 3.860 HD3 :: 3.905 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.K98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.6 K 0.28 A 0.08 L 0.01 C Shift Assignments>> C :: 176.813 CA :: 53.984 CB :: 30.978 CG :: 23.745 CD :: 26.579 CE :: 41.435 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 :: 7.908 HA :: 4.159 HB2 :: 1.365 HB3 :: 1.406 HG2 :: 0.618 HG3 :: 0.618 HD2 :: 0.825(S) HD3 :: 1.110 HE2 :: 2.114(S) HE3 :: 2.246(S) 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 :: 113.533 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.17 I 0.13 V 0.01 C Shift Assignments>> C :: 178.280 CA :: 56.576 CB :: 18.162 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.809 HA :: 3.655 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.700 Ave N Shift Values>> N :: 123.23(3.54) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 I 0.04 V 0.01 HN Overlap>> 1.K141 1.K141 C Shift Assignments>> C :: 179.102 CA :: 55.403 CB :: 18.772 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.410 HA :: 3.263 HB1 :: 1.060 HB2 :: 1.060 HB3 :: 1.060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.211 Ave N Shift Values>> N :: 123.23(3.54) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 L 0.18 Y 0.15 D 0.11 R 0.04 I 0.02 N 0.01 C Shift Assignments>> C :: 178.084 CA :: 57.226 CB :: 41.464 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 :: 7.101 HA :: 4.187 HB2 :: 2.550 HB3 :: 2.315 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 :: 116.393 Ave N Shift Values>> N :: 120.65(3.86) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.34 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 177.694 CA :: 54.948 CB :: 19.104 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.460 HA :: 3.634 HB1 :: 1.725 HB2 :: 1.725 HB3 :: 1.725 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 123.23(3.54) 1.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 Q 0.27 C Shift Assignments>> C :: 177.342 CA :: 59.900 CB :: 32.803 CG :: 33.447 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 :: 8.493 HA :: 3.554 HB2 :: 1.961 HB3 :: 2.179 HG2 :: 2.425 HG3 :: 2.449 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 :: 118.524 Ave N Shift Values>> N :: 120.09(3.57) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 C Shift Assignments>> C :: 176.544 CA :: 61.718 CB :: 38.491 CD2 :: 131.492 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 :: 7.899 HA :: 4.107 HB2 :: 3.155 HB3 :: 3.155 HD1 :: 6.990 HD2 :: 6.990 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 :: 118.042 Ave N Shift Values>> N :: 120.45(4.18) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.33 G 0.02 HN Overlap>> 1.M110 1.M110 C Shift Assignments>> C :: 178.317 CA :: 57.775 CB :: 30.429 CG :: 25.781 CD :: 27.692 CE :: 42.503 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 :: 7.648 HA :: 3.069 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.787 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.703 CA :: 67.912 CB :: 31.049 CG1 :: 21.004 CG2 :: 23.138 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 :: 7.671 HA :: 3.400 HB :: 2.367 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 120.667 Ave N Shift Values>> N :: 121.14(4.54) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 P 0.06 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 173.966 CA :: 47.660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.384 HA2 :: 3.265 HA3 :: 3.265 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.806 Ave N Shift Values>> N :: 109.67(3.87) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.447 CA :: 66.013 CB :: 31.591 CG1 :: 21.539 CG2 :: 23.629 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 :: 8.074 HA :: 3.598 HB :: 1.720 HG11 :: 0.692 HG12 :: 0.692 HG13 :: 0.692 HG21 :: 0.129 HG22 :: 0.129 HG23 :: 0.129 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 :: 124.579 Ave N Shift Values>> N :: 121.14(4.54) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 V 0.19 M 0.01 C Shift Assignments>> C :: 178.488 CA :: 66.290 CB :: 38.264 CG1 :: 32.024 CG2 :: 15.459 CD1 :: 18.263 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 :: 8.056 HA :: 3.636 HB :: 1.963 HG12 :: 1.958 HG13 :: 2.032 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 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 :: 120.650 Ave N Shift Values>> N :: 121.46(4.28) 1.M110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.01 I 0.01 HN Overlap>> 1.K105 1.K105 C Shift Assignments>> C :: 177.947 CA :: 59.183 CB :: 31.595 CG :: 32.836 CE :: 17.895 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 :: 7.681 HA :: 4.030 HB2 :: 2.092 HB3 :: 1.911 HG2 :: 2.631 HG3 :: 2.631 HE1 :: 2.079 HE2 :: 2.079 HE3 :: 2.079 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 :: 118.681 Ave N Shift Values>> N :: 120.09(3.57) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.23 R 0.2 I 0.12 P 0.09 M 0.01 C Shift Assignments>> C :: 180.500 CA :: 60.219 CB :: 27.362 CG :: 33.736 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 :: 8.752 HA :: 3.377 HB2 :: 1.769 HB3 :: 2.339 HG2 :: 2.199 HG3 :: 2.564 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 :: 122.890 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 L 0.15 D 0.14 K 0.07 I 0.05 N 0.02 C Shift Assignments>> C :: 178.641 CA :: 57.165 CB :: 40.534 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.571 HA :: 4.214 HB2 :: 3.091 HB3 :: 2.544 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 :: 124.553 Ave N Shift Values>> N :: 120.65(3.86) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.15 HN Overlap>> 1.M46 1.M46 C Shift Assignments>> C :: 176.796 CA :: 57.047 CB :: 32.749 CG :: 25.072 CD :: 29.683 CE :: 41.690 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 :: 7.708 HA :: 4.223 HB2 :: 1.926 HB3 :: 1.985 HG2 :: 1.583 HG3 :: 1.631 HE2 :: 2.902 HE3 :: 2.902 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.760 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.385 CA :: 45.017 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.912 HA2 :: 4.354 HA3 :: 3.700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.924 Ave N Shift Values>> N :: 109.67(3.87) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.22 L 0.05 F 0.05 Y 0.05 C Shift Assignments>> C :: 176.287 CA :: 52.227 CB :: 39.226 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 :: 8.215 HA :: 4.974 HB2 :: 2.851 HB3 :: 2.309 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 :: 125.550 Ave N Shift Values>> N :: 120.65(3.86) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.747 CA :: 66.733 CB :: 68.450 CG2 :: 22.893 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.753 HA :: 3.433 HB :: 4.084 HG21 :: 1.253 HG22 :: 1.253 HG23 :: 1.253 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 :: 116.318 Ave N Shift Values>> N :: 115.42(4.75) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.32 I 0.05 C Shift Assignments>> C :: 181.351 CA :: 55.456 CB :: 17.946 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.531 HA :: 4.042 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.201 Ave N Shift Values>> N :: 123.23(3.54) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.3 G 0.01 C Shift Assignments>> C :: 178.779 CA :: 59.320 CB :: 32.628 CG :: 26.109 CD :: 29.148 CE :: 42.052 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 :: 7.648 HA :: 3.912 HB2 :: 1.560 HB3 :: 1.560 HG2 :: 1.781 HG3 :: 1.781 HE2 :: 2.874 HE3 :: 2.874 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 :: 120.047 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.04 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 177.326 CA :: 55.297 CB :: 18.379 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.983 HA :: 3.442 HB1 :: 1.039 HB2 :: 1.039 HB3 :: 1.039 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.945 Ave N Shift Values>> N :: 123.23(3.54) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.26 G 0.02 HN Overlap>> 1.N66 1.N66 C Shift Assignments>> C :: 177.932 CA :: 60.391 CB :: 32.761 CG :: 25.535 CD :: 29.976 CE :: 42.182 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 :: 8.151 HA :: 3.728 HB2 :: 1.830 HB3 :: 1.830 HG2 :: 1.269 HG3 :: 1.543 HD2 :: 1.605 HD3 :: 1.636 HE2 :: 2.978 HE3 :: 2.978 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 :: 115.723 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.42 I 0.02 C Shift Assignments>> C :: 180.953 CA :: 54.834 CB :: 17.909 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.125 HA :: 4.137 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.514 Ave N Shift Values>> N :: 123.23(3.54) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.572 CA :: 67.021 CB :: 31.149 CG1 :: 23.037 CG2 :: 23.041 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 :: 7.763 HA :: 3.551 HB :: 1.805 HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 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 :: 121.265 Ave N Shift Values>> N :: 121.14(4.54) 1.Y123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 I 0.25 F 0.2 M 0.09 K 0.04 V 0.02 Q 0.01 C Shift Assignments>> C :: 178.661 CA :: 58.643 CB :: 36.755 CE2 :: 118.148 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 :: 8.793 HA :: 4.499 HB2 :: 3.081 HB3 :: 3.154 HD1 :: 6.794 HD2 :: 6.794 HE1 :: 6.611 HE2 :: 6.611 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 :: 119.898 Ave N Shift Values>> N :: 120.52(4.2) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.37 I 0.17 R 0.05 C Shift Assignments>> C :: 179.219 CA :: 59.265 CB :: 28.384 CG :: 34.796 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 :: 8.329 HA :: 3.930 HB2 :: 2.268 HB3 :: 1.982 HG2 :: 2.653 HG3 :: 2.653 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 :: 115.992 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.41 I 0.09 R 0.03 M 0.03 HN Overlap>> 1.D44 1.D44 C Shift Assignments>> C :: 177.921 CA :: 58.939 CB :: 29.009 CG :: 34.597 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.901 HA :: 4.129 HB2 :: 2.359 HB3 :: 2.131 HG2 :: 2.485 HG3 :: 2.485 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 :: 121.629 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.778 CA :: 66.799 CB :: 31.833 CG1 :: 21.859 CG2 :: 22.645 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 :: 8.686 HA :: 3.887 HB :: 2.274 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.484 Ave N Shift Values>> N :: 121.14(4.54) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.215 CA :: 65.131 CB :: 39.141 CG1 :: 29.991 CG2 :: 17.486 CD1 :: 15.003 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 :: 7.293 HA :: 3.441 HB :: 1.713 HG12 :: 1.051 HG13 :: 1.051 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.272 Ave N Shift Values>> N :: 121.46(4.28) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.573 CA :: 60.652 CB :: 63.686 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.618 HA :: 4.130 HB2 :: 3.833 HB3 :: 3.833 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 :: 112.290 Ave N Shift Values>> N :: 116.28(3.52) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.27 G 0.01 C Shift Assignments>> C :: 176.593 CA :: 57.829 CB :: 33.926 CG :: 25.580 CD :: 29.088 CE :: 42.079 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 :: 8.536 HA :: 3.914 HB2 :: 1.073 HB3 :: 1.544 HG2 :: 0.926 HG3 :: 1.196 HD2 :: 1.411 HD3 :: 1.411 HE2 :: 2.834 HE3 :: 2.834 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 :: 119.828 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 F 0.24 C Shift Assignments>> C :: 172.667 CA :: 54.812 CB :: 39.160 CD2 :: 134.295 CE2 :: 117.885 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 :: 8.199 HA :: 5.027 HB2 :: 2.845 HB3 :: 3.081 HD1 :: 7.150 HD2 :: 7.150 HE1 :: 6.848 HE2 :: 6.848 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.611 Ave N Shift Values>> N :: 120.52(4.2) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.453 CA :: 64.055 CB :: 31.249 CG :: 27.663 CD :: 50.461 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 :: 4.331 HB2 :: 2.316 HB3 :: 1.884 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.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.526 CA :: 45.808 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.019 HA2 :: 4.052 HA3 :: 3.690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.708 Ave N Shift Values>> N :: 109.67(3.87) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.471 CA :: 60.753 CB :: 72.672 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.188 HA :: 5.554 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.138 Ave N Shift Values>> N :: 115.42(4.75) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.33 Y 0.3 L 0.1 I 0.09 D 0.09 K 0.04 N 0.01 C Shift Assignments>> C :: 179.306 CA :: 57.910 CB :: 40.313 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.268 HB2 :: 2.495 HB3 :: 2.600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 174.583 CA :: 47.152 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.741 HA2 :: 3.295 HA3 :: 3.059 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.657 Ave N Shift Values>> N :: 109.67(3.87) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.38 I 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 180.200 CA :: 55.379 CB :: 19.211 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.666 HA :: 3.772 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.014 Ave N Shift Values>> N :: 123.23(3.54) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> C :: 180.211 CA :: 59.850 CB :: 32.212 CG :: 25.454 CD :: 29.396 CE :: 42.223 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 :: 8.039 HA :: 3.825 HB2 :: 1.774 HB3 :: 1.844 HG2 :: 1.236 HG3 :: 1.438 HD2 :: 1.575 HD3 :: 1.575 HE2 :: 2.756 HE3 :: 2.799 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 :: 121.845 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 R 0.29 K 0.28 I 0.03 M 0.01 C Shift Assignments>> C :: 178.741 CA :: 58.230 CB :: 26.705 CG :: 33.561 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 :: 8.109 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 :: 119.777 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 I 0.03 C Shift Assignments>> C :: 178.552 CA :: 55.185 CB :: 18.805 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.131 HA :: 3.453 HB1 :: 1.544 HB2 :: 1.544 HB3 :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.138 Ave N Shift Values>> N :: 123.23(3.54) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.42 R 0.07 M 0.04 I 0.02 C Shift Assignments>> C :: 177.616 CA :: 58.315 CB :: 28.875 CG :: 33.847 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 :: 8.097 HA :: 3.748 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 2.183 HG3 :: 2.260 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 :: 118.207 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K141 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.A100 1.A100 C Shift Assignments>> C :: 180.176 CA :: 59.710 CB :: 32.196 CG :: 25.416 CD :: 29.431 CE :: 42.078 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 :: 7.344 HA :: 3.907 HB2 :: 1.781 HB3 :: 1.781 HG2 :: 1.293 HG3 :: 1.488 HE2 :: 2.842 HE3 :: 2.842 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 :: 119.213 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.19 G 0.07 I 0.02 C Shift Assignments>> C :: 179.944 CA :: 58.190 CB :: 30.220 CD :: 43.139 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 :: 7.476 HA :: 3.931 HB2 :: 1.524 HB3 :: 1.294 HD2 :: 3.156 HD3 :: 3.176 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.857 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.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 F 0.18 L 0.16 Y 0.13 R 0.13 D 0.06 I 0.02 HN Overlap>> 1.Y67 1.Y67 C Shift Assignments>> C :: 179.724 CA :: 58.015 CB :: 42.120 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 :: 8.190 HA :: 3.997 HB2 :: 1.488 HB3 :: 1.488 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 120.821 Ave N Shift Values>> N :: 121.86(3.9) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 Y 0.17 F 0.14 D 0.12 L 0.03 M 0.03 I 0.01 HN Overlap>> 1.N30 1.N55 1.N30 1.N55 C Shift Assignments>> C :: 175.589 CA :: 54.562 CB :: 38.063 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 :: 7.994 HA :: 4.435 HB2 :: 2.839 HB3 :: 2.849 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 :: 117.052 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 L 0.01 C Shift Assignments>> C :: 176.672 CA :: 51.598 CB :: 19.880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.281 HA :: 4.543 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.791 Ave N Shift Values>> N :: 123.23(3.54) 1.M146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 Q 0.13 C Shift Assignments>> C :: 180.531 CA :: 58.289 CB :: 35.193 CG :: 33.249 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 :: 7.305 HA :: 4.157 HB2 :: 1.984 HB3 :: 2.191 HG2 :: 2.471 HG3 :: 2.895 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 :: 125.818 Ave N Shift Values>> N :: 120.09(3.57) ########################################################################### Overall Results: #Consistent: 141 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 131 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 146 #Suspicious: 0 C Shift Results: #Consistent: 526 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 767 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A32 HB1 = 0.045(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1879e-07 1.A32 HB2 = 0.045(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1879e-07 1.A32 HB3 = 0.045(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1879e-07 1.N55 HB3 = 1.578(S), Expected = 2.75, Std = 0.3300, ChiSquare = 3.8302e-04 1.P63 HD2 = 2.365(S), Expected = 3.65, Std = 0.3500, ChiSquare = 2.4120e-04 1.G70 HA2 = 1.927(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.3589e-08 1.K98 HD2 = 0.825(S), Expected = 1.61, Std = 0.2200, ChiSquare = 3.5947e-04 1.K98 HE2 = 2.114(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.2143e-05 1.K98 HE3 = 2.246(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.0017e-04