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.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.15 C 0.09 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> CA :: 52.684 CB :: 38.693 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>> HA :: 4.868 HB2 :: 2.848 HB3 :: 2.777 HD21 :: 6.801 HD22 :: 7.571 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>> ND2 :: 112.670 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.956 CA :: 65.067 CB :: 68.512 CG2 :: 22.598 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 :: 8.491 HA :: 3.852 HB :: 4.125 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 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 :: 116.694 Ave N Shift Values>> N :: 115.42(4.75) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.581 CB :: 62.551 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.295 HA :: 4.051 HB2 :: 3.850 HB3 :: 3.850 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 :: 117.139 Ave N Shift Values>> N :: 116.28(3.52) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.15 Q 0.14 W 0.13 C 0.13 E 0.12 H 0.11 R 0.08 I 0.04 L 0.02 M 0.02 C Shift Assignments>> CA :: 57.394 CB :: 28.704 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>> HA :: 4.412 HB2 :: 3.172 HB3 :: 3.172 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) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.38 R 0.03 C Shift Assignments>> C :: 178.007 CA :: 57.703 CB :: 41.934 CG :: 26.959 CD1 :: 25.305 CD2 :: 23.920 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 :: 7.549 HA :: 3.949 HB2 :: 1.709 HB3 :: 1.517 HG :: 1.607 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 118.694 Ave N Shift Values>> N :: 121.86(3.9) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 R 0.01 HN Overlap>> 1.H116 1.C64 1.H116 1.C64 C Shift Assignments>> C :: 178.092 CA :: 57.689 CB :: 41.340 CG :: 27.123 CD1 :: 25.053 CD2 :: 23.710 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 :: 7.821 HA :: 3.860 HB2 :: 1.676 HB3 :: 1.502 HG :: 1.701 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 116.449 Ave N Shift Values>> N :: 121.86(3.9) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.38 C 0.01 I 0.01 C Shift Assignments>> C :: 179.231 CA :: 54.145 CB :: 18.206 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.437 HA :: 3.962 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 :: 118.519 Ave N Shift Values>> N :: 123.23(3.54) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.05 G 0.01 C Shift Assignments>> C :: 177.463 CA :: 56.545 CB :: 42.383 CG :: 26.660 CD1 :: 25.340 CD2 :: 23.231 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.328 HA :: 4.030 HB2 :: 1.800 HB3 :: 1.438 HG :: 1.669 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 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 :: 116.242 Ave N Shift Values>> N :: 121.86(3.9) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.26 G 0.09 R 0.07 A 0.01 C Shift Assignments>> C :: 175.882 CA :: 55.678 CB :: 43.514 CG :: 26.807 CD1 :: 25.383 CD2 :: 23.340 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 :: 7.356 HA :: 4.143 HB2 :: 1.648 HB3 :: 1.495 HG :: 1.724 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 HD21 :: 0.736 HD22 :: 0.736 HD23 :: 0.736 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 :: 115.870 Ave N Shift Values>> N :: 121.86(3.9) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 C 0.15 A 0.03 R 0.01 C Shift Assignments>> C :: 174.681 CA :: 52.755 CB :: 41.694 CG :: 26.853 CD1 :: 25.300 CD2 :: 23.630 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 :: 7.345 HA :: 4.457 HB2 :: 1.426 HB3 :: 1.584 HG :: 1.651 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.793 HD22 :: 0.793 HD23 :: 0.793 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 :: 117.105 Ave N Shift Values>> N :: 121.86(3.9) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.131 CB :: 31.963 CG :: 27.498 CD :: 50.698 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 :: 4.374 HB2 :: 2.219 HB3 :: 1.787 HG2 :: 1.908 HG3 :: 1.908 HD2 :: 3.626 HD3 :: 3.626 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.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.35 R 0.14 HN Overlap>> 1.Q35 1.Q35 C Shift Assignments>> C :: 176.350 CA :: 55.560 CB :: 33.116 CG :: 24.613 CD :: 28.777 CE :: 42.169 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 :: 8.194 HA :: 4.289 HB2 :: 1.749 HB3 :: 1.643 HG2 :: 1.386 HG3 :: 1.386 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 2.920 HE3 :: 2.920 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 :: 120.565 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L97 1.L97 C Shift Assignments>> C :: 173.046 CA :: 56.318 CB :: 63.387 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.152 HA :: 4.617 HB2 :: 3.754 HB3 :: 3.754 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 :: 117.371 Ave N Shift Values>> N :: 116.28(3.52) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.450 CB :: 32.011 CG :: 27.261 CD :: 50.653 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 :: 4.352 HB2 :: 2.223 HB3 :: 1.793 HG2 :: 1.920 HG3 :: 1.920 HD2 :: 3.629 HD3 :: 3.629 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.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.07 M 0.05 R 0.03 C Shift Assignments>> C :: 176.399 CA :: 55.931 CB :: 29.332 CG :: 33.815 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 :: 8.226 HA :: 4.220 HB2 :: 1.871 HB3 :: 2.033 HG2 :: 2.285 HG3 :: 2.285 HE21 :: 7.344 HE22 :: 6.665 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 :: 119.395 NE2 :: 111.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.064 CA :: 45.397 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.134 HA2 :: 3.831 HA3 :: 3.880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.490 Ave N Shift Values>> N :: 109.67(3.87) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 M 0.1 Q 0.09 K 0.08 I 0.02 C Shift Assignments>> C :: 176.105 CA :: 56.559 CB :: 30.208 CG :: 35.909 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 :: 8.114 HA :: 4.179 HB2 :: 1.823 HB3 :: 1.947 HG2 :: 2.136 HG3 :: 2.136 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 :: 120.268 Ave N Shift Values>> N :: 120.67(3.48) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.04 C Shift Assignments>> C :: 174.891 CA :: 53.396 CB :: 38.781 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 :: 8.294 HA :: 4.586 HB2 :: 2.748 HB3 :: 2.652 HD21 :: 6.764 HD22 :: 7.427 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 :: 119.091 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 K 0.06 G 0.06 C Shift Assignments>> C :: 175.979 CA :: 55.954 CB :: 30.697 CG :: 27.246 CD :: 43.312 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 :: 8.081 HA :: 4.248 HB2 :: 1.789 HB3 :: 1.653 HG2 :: 1.520 HG3 :: 1.520 HD2 :: 3.111 HD3 :: 3.111 HE :: 7.235 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 :: 121.059 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.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.757 CA :: 58.385 CB :: 63.816 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.134 HA :: 4.324 HB2 :: 3.751 HB3 :: 3.751 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 :: 116.577 Ave N Shift Values>> N :: 116.28(3.52) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.3 R 0.1 C Shift Assignments>> C :: 174.260 CA :: 54.171 CB :: 32.662 CG :: 24.369 CD :: 29.125 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 :: 7.976 HA :: 4.526 HB2 :: 1.614 HB3 :: 1.712 HG2 :: 1.337 HG3 :: 1.337 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 2.895 HE3 :: 2.895 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.102 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.194 CB :: 31.446 CG :: 27.386 CD :: 50.369 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 :: 4.323 HB2 :: 2.170 HB3 :: 2.170 HG2 :: 1.891 HG3 :: 1.891 HD2 :: 3.689 HD3 :: 3.531 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.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 177.019 CA :: 55.316 CB :: 42.496 CG :: 27.324 CD1 :: 25.112 CD2 :: 23.799 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 :: 8.085 HA :: 4.210 HB2 :: 1.564 HB3 :: 1.508 HG :: 1.575 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 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 :: 120.877 Ave N Shift Values>> N :: 121.86(3.9) 1.G25 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 :: 173.293 CA :: 45.205 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.056 HA2 :: 3.899 HA3 :: 3.831 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.317 Ave N Shift Values>> N :: 109.67(3.87) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 173.156 CA :: 59.659 CB :: 69.575 CG2 :: 21.580 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 :: 7.818 HA :: 4.485 HB :: 4.029 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.260 Ave N Shift Values>> N :: 115.42(4.75) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.412 CB :: 31.762 CG :: 27.261 CD :: 50.414 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 :: 4.308 HB2 :: 2.175 HB3 :: 2.175 HG2 :: 1.873 HG3 :: 1.873 HD2 :: 3.685 HD3 :: 3.516 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.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.12 D 0.03 L 0.02 E 0.02 N 0.01 HN Overlap>> 1.L62 1.L79 1.L62 1.L79 C Shift Assignments>> C :: 174.899 CA :: 58.018 CB :: 38.725 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 :: 7.724 HA :: 4.272 HB2 :: 2.710 HB3 :: 2.710 HD1 :: 7.023 HD2 :: 7.023 HE1 :: 6.802 HE2 :: 6.802 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 :: 118.811 Ave N Shift Values>> N :: 120.52(4.2) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.1 C 0.1 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 175.384 CA :: 52.644 CB :: 38.195 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 :: 8.070 HA :: 4.588 HB2 :: 2.748 HB3 :: 2.570 HD21 :: 6.749 HD22 :: 7.417 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 :: 119.885 ND2 :: 112.593 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 Y 0.26 F 0.25 C 0.16 L 0.01 C Shift Assignments>> C :: 176.702 CA :: 60.144 CB :: 39.355 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 :: 8.094 HA :: 4.286 HB2 :: 3.059 HB3 :: 3.059 HD1 :: 7.164 HD2 :: 7.164 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 :: 121.318 Ave N Shift Values>> N :: 120.45(4.18) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.609 CA :: 60.521 CB :: 63.097 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.203 HA :: 4.072 HB2 :: 3.881 HB3 :: 3.777 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 :: 114.741 Ave N Shift Values>> N :: 116.28(3.52) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.31 K 0.13 Q 0.11 I 0.06 M 0.03 C Shift Assignments>> C :: 177.125 CA :: 57.955 CB :: 29.405 CG :: 35.737 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.862 HA :: 4.027 HB2 :: 1.772 HB3 :: 1.772 HG2 :: 2.034 HG3 :: 2.034 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.934 Ave N Shift Values>> N :: 120.67(3.48) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 175.614 CA :: 56.334 CB :: 29.079 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 :: 7.850 HA :: 4.659 HB2 :: 3.277 HB3 :: 2.961 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 :: 115.491 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.2 P 0.11 W 0.07 R 0.07 Q 0.03 E 0.02 K 0.02 H 0.02 L 0.01 HN Overlap>> 1.N77 1.N77 C Shift Assignments>> C :: 175.257 CA :: 60.958 CB :: 27.465 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.956 HA :: 4.207 HB2 :: 2.826 HB3 :: 2.735 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 :: 118.719 Ave N Shift Values>> N :: 120.17(4.64) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 E 0.06 R 0.06 M 0.02 I 0.01 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 176.773 CA :: 58.322 CB :: 28.535 CG :: 33.859 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 :: 8.262 HA :: 3.953 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.295 HG3 :: 2.295 HE21 :: 7.413 HE22 :: 6.596 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.596 NE2 :: 112.091 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.17 L 0.15 C 0.09 N 0.08 K 0.03 I 0.02 C Shift Assignments>> C :: 177.393 CA :: 55.881 CB :: 40.282 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 :: 8.105 HA :: 4.449 HB2 :: 2.694 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.367 Ave N Shift Values>> N :: 120.65(3.86) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T102 1.T102 C Shift Assignments>> C :: 175.333 CA :: 61.723 CB :: 63.268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.825 HA :: 4.164 HB2 :: 3.883 HB3 :: 3.756 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 :: 114.830 Ave N Shift Values>> N :: 116.28(3.52) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.V56 1.V56 C Shift Assignments>> C :: 176.829 CA :: 66.271 CB :: 31.567 CG1 :: 22.687 CG2 :: 21.388 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 :: 7.808 HA :: 3.603 HB :: 2.118 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.878 HG22 :: 0.878 HG23 :: 0.878 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 :: 121.898 Ave N Shift Values>> N :: 121.14(4.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.12 D 0.12 L 0.09 I 0.05 N 0.04 K 0.01 HN Overlap>> 1.M63 1.M63 C Shift Assignments>> C :: 178.940 CA :: 57.029 CB :: 39.834 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 :: 8.071 HA :: 4.307 HB2 :: 2.790 HB3 :: 2.551 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 :: 119.502 Ave N Shift Values>> N :: 120.65(3.86) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.F109 1.F109 C Shift Assignments>> C :: 177.133 CA :: 65.998 CB :: 31.530 CG1 :: 22.737 CG2 :: 21.482 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 :: 7.727 HA :: 3.784 HB :: 2.160 HG11 :: 1.015 HG12 :: 1.015 HG13 :: 1.015 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 119.928 Ave N Shift Values>> N :: 121.14(4.54) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 C Shift Assignments>> C :: 177.828 CA :: 58.791 CB :: 31.822 CG :: 32.553 CE :: 17.042 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 :: 7.838 HA :: 4.111 HB2 :: 2.208 HB3 :: 2.053 HG2 :: 2.645 HG3 :: 2.442 HE1 :: 1.911 HE2 :: 1.911 HE3 :: 1.911 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 :: 118.921 Ave N Shift Values>> N :: 120.09(3.57) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> C :: 178.527 CA :: 66.712 CB :: 31.554 CG1 :: 23.065 CG2 :: 21.454 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 :: 8.374 HA :: 3.504 HB :: 2.094 HG11 :: 0.967 HG12 :: 0.967 HG13 :: 0.967 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 :: 118.029 Ave N Shift Values>> N :: 121.14(4.54) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 Y 0.19 C 0.17 F 0.17 HN Overlap>> 1.D87 1.D87 C Shift Assignments>> C :: 177.557 CA :: 61.206 CB :: 38.660 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 :: 7.985 HA :: 4.094 HB2 :: 3.311 HB3 :: 3.195 HD1 :: 7.108 HD2 :: 7.108 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 :: 122.013 Ave N Shift Values>> N :: 120.45(4.18) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.E111 1.E111 C Shift Assignments>> C :: 177.638 CA :: 65.020 CB :: 37.874 CG1 :: 28.965 CG2 :: 17.407 CD1 :: 13.455 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 :: 8.235 HA :: 3.504 HB :: 2.037 HG12 :: 1.148 HG13 :: 1.148 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.899 Ave N Shift Values>> N :: 121.46(4.28) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.856 CA :: 65.436 CB :: 31.615 CG1 :: 21.982 CG2 :: 21.761 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 :: 8.093 HA :: 3.816 HB :: 2.160 HG11 :: 1.024 HG12 :: 1.024 HG13 :: 1.024 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 115.083 Ave N Shift Values>> N :: 121.14(4.54) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.815 CA :: 63.364 CB :: 69.657 CG2 :: 21.707 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 :: 7.756 HA :: 4.206 HB :: 4.497 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.235 Ave N Shift Values>> N :: 115.42(4.75) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.660 CA :: 60.504 CB :: 63.438 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.517 HA :: 4.106 HB2 :: 3.265 HB3 :: 3.178 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 :: 116.512 Ave N Shift Values>> N :: 116.28(3.52) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.11 I 0.05 K 0.02 N 0.02 C Shift Assignments>> C :: 174.547 CA :: 57.276 CB :: 40.137 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 :: 7.537 HA :: 4.312 HB2 :: 2.606 HB3 :: 2.606 HD1 :: 7.018 HD2 :: 7.018 HE1 :: 6.800 HE2 :: 6.800 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 :: 120.061 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 HN Overlap>> 1.S86 1.S86 C Shift Assignments>> C :: 175.532 CA :: 57.731 CB :: 64.551 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.984 HA :: 4.523 HB2 :: 3.890 HB3 :: 3.890 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 :: 114.708 Ave N Shift Values>> N :: 116.28(3.52) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 176.940 CA :: 63.609 CB :: 37.586 CG1 :: 28.848 CG2 :: 17.944 CD1 :: 12.904 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 :: 8.640 HA :: 3.795 HB :: 1.890 HG12 :: 1.521 HG13 :: 1.229 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.360 Ave N Shift Values>> N :: 121.46(4.28) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.26 I 0.2 K 0.09 Q 0.06 C Shift Assignments>> C :: 179.185 CA :: 59.902 CB :: 28.750 CG :: 35.756 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 :: 8.545 HA :: 3.878 HB2 :: 1.918 HB3 :: 1.983 HG2 :: 2.258 HG3 :: 2.258 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.726 Ave N Shift Values>> N :: 120.67(3.48) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 176.220 CA :: 65.885 CB :: 68.588 CG2 :: 21.931 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 :: 7.743 HA :: 3.920 HB :: 4.198 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 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 :: 116.680 Ave N Shift Values>> N :: 115.42(4.75) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.119 CA :: 66.823 CB :: 31.492 CG1 :: 22.715 CG2 :: 21.269 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 :: 7.681 HA :: 3.471 HB :: 2.188 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 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 :: 120.878 Ave N Shift Values>> N :: 121.14(4.54) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.V42 1.V42 C Shift Assignments>> C :: 178.266 CA :: 66.782 CB :: 31.302 CG1 :: 23.018 CG2 :: 21.351 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 :: 8.350 HA :: 3.493 HB :: 2.057 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.070 Ave N Shift Values>> N :: 121.14(4.54) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 176.326 CA :: 47.150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.865 HA2 :: 3.898 HA3 :: 3.825 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.736 Ave N Shift Values>> N :: 109.67(3.87) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> C :: 178.171 CA :: 66.098 CB :: 31.155 CG1 :: 22.243 CG2 :: 21.341 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 :: 7.841 HA :: 3.788 HB :: 2.143 HG11 :: 0.992 HG12 :: 0.992 HG13 :: 0.992 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.858 Ave N Shift Values>> N :: 121.14(4.54) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 179.287 CA :: 57.858 CB :: 41.046 CG :: 26.957 CD1 :: 25.194 CD2 :: 23.718 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 :: 8.173 HA :: 4.110 HB2 :: 1.437 HB3 :: 1.437 HG :: 1.584 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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 :: 119.239 Ave N Shift Values>> N :: 121.86(3.9) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.09 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.710 CA :: 47.667 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.628 HA2 :: 3.955 HA3 :: 3.619 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.733 Ave N Shift Values>> N :: 109.67(3.87) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.16 N 0.14 D 0.1 L 0.04 I 0.03 E 0.03 M 0.01 HN Overlap>> 1.V67 1.I103 1.V67 1.I103 1.L78 1.L78 C Shift Assignments>> C :: 177.852 CA :: 56.012 CB :: 38.606 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 :: 7.768 HA :: 4.453 HB2 :: 2.709 HB3 :: 2.904 HD21 :: 7.385 HD22 :: 6.781 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 :: 120.145 ND2 :: 111.897 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.02 C Shift Assignments>> C :: 178.842 CA :: 58.191 CB :: 41.725 CG :: 26.925 CD1 :: 25.248 CD2 :: 23.940 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 :: 8.224 HA :: 4.091 HB2 :: 1.874 HB3 :: 1.611 HG :: 1.801 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 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 :: 120.940 Ave N Shift Values>> N :: 121.86(3.9) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.36 C 0.09 C Shift Assignments>> C :: 176.421 CA :: 64.098 CB :: 26.624 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.243 HA :: 3.951 HB2 :: 3.084 HB3 :: 2.767 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 :: 117.581 Ave N Shift Values>> N :: 120.17(4.64) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 HN Overlap>> 1.L79 1.Y28 1.L79 1.Y28 C Shift Assignments>> C :: 179.732 CA :: 57.723 CB :: 41.432 CG :: 27.026 CD1 :: 24.399 CD2 :: 23.802 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 :: 7.798 HA :: 4.017 HB2 :: 1.766 HB3 :: 1.766 HG :: 1.664 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 118.773 Ave N Shift Values>> N :: 121.86(3.9) 1.M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.44 HN Overlap>> 1.D39 1.D39 C Shift Assignments>> C :: 177.828 CA :: 58.746 CB :: 32.149 CG :: 32.270 CE :: 17.230 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 :: 8.032 HA :: 4.111 HB2 :: 2.251 HB3 :: 2.112 HG2 :: 2.663 HG3 :: 2.474 HE1 :: 1.970 HE2 :: 1.970 HE3 :: 1.970 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 :: 119.498 Ave N Shift Values>> N :: 120.09(3.57) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.37 C 0.1 W 0.01 HN Overlap>> 1.H116 1.H116 1.L7 1.L7 C Shift Assignments>> C :: 175.883 CA :: 63.299 CB :: 27.134 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.877 HA :: 4.027 HB2 :: 3.093 HB3 :: 2.688 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 :: 116.494 Ave N Shift Values>> N :: 120.17(4.64) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.T52 1.T52 C Shift Assignments>> C :: 177.477 CA :: 65.564 CB :: 31.801 CG1 :: 22.161 CG2 :: 21.432 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 :: 7.782 HA :: 3.707 HB :: 2.195 HG11 :: 1.002 HG12 :: 1.002 HG13 :: 1.002 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 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 :: 116.650 Ave N Shift Values>> N :: 121.14(4.54) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.237 CA :: 65.476 CB :: 68.791 CG2 :: 21.696 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 :: 7.812 HA :: 4.015 HB :: 4.249 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.669 Ave N Shift Values>> N :: 115.42(4.75) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 HN Overlap>> 1.I103 1.F88 1.N59 1.I103 1.F88 1.N59 C Shift Assignments>> C :: 176.854 CA :: 65.167 CB :: 31.575 CG1 :: 22.946 CG2 :: 21.416 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.845 HA :: 3.778 HB :: 2.122 HG11 :: 0.963 HG12 :: 0.963 HG13 :: 0.963 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 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 :: 120.172 Ave N Shift Values>> N :: 121.14(4.54) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.37 L 0.09 R 0.07 C Shift Assignments>> C :: 177.026 CA :: 57.879 CB :: 29.137 CG :: 24.723 CD :: 42.219 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 :: 7.833 HA :: 4.010 HB2 :: 1.587 HB3 :: 1.517 HG2 :: 1.360 HG3 :: 1.360 HD2 :: 2.886 HD3 :: 2.886 HE :: 7.150 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.734 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.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.27 R 0.06 E 0.06 M 0.03 I 0.01 C Shift Assignments>> C :: 177.340 CA :: 57.701 CB :: 28.695 CG :: 33.759 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 :: 7.867 HA :: 4.076 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.343 HG3 :: 2.343 HE21 :: 7.287 HE22 :: 6.694 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.349 NE2 :: 111.004 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.13 C Shift Assignments>> C :: 177.399 CA :: 57.635 CB :: 32.816 CG :: 24.950 CD :: 28.842 CE :: 42.098 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.910 HA :: 4.101 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 1.451 HG3 :: 1.451 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.821 HE3 :: 2.821 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.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.07 R 0.04 M 0.04 C Shift Assignments>> C :: 176.762 CA :: 56.855 CB :: 29.070 CG :: 33.866 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 :: 8.136 HA :: 4.294 HB2 :: 2.074 HB3 :: 2.074 HG2 :: 2.292 HG3 :: 2.292 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.080 Ave N Shift Values>> N :: 120.67(3.48) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.43 R 0.12 C Shift Assignments>> C :: 176.943 CA :: 57.857 CB :: 32.382 CG :: 24.929 CD :: 29.232 CE :: 42.196 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 :: 7.937 HA :: 4.017 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 1.394 HG3 :: 1.394 HD2 :: 1.594 HD3 :: 1.594 HE2 :: 2.895 HE3 :: 2.895 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 :: 120.080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.01 C Shift Assignments>> C :: 177.742 CA :: 53.398 CB :: 18.760 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.997 HA :: 4.167 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.294 Ave N Shift Values>> N :: 123.23(3.54) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.15 Y 0.12 C 0.12 F 0.11 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 176.590 CA :: 54.314 CB :: 38.621 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 :: 8.018 HA :: 4.588 HB2 :: 2.762 HB3 :: 2.762 HD21 :: 7.493 HD22 :: 6.795 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 :: 116.798 ND2 :: 112.344 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.585 CA :: 65.294 CB :: 31.723 CG1 :: 22.707 CG2 :: 21.364 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 :: 8.089 HA :: 3.792 HB :: 2.117 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 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 :: 119.114 Ave N Shift Values>> N :: 121.14(4.54) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.438 CA :: 65.753 CB :: 68.531 CG2 :: 21.964 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 :: 7.933 HA :: 3.825 HB :: 4.128 HG21 :: 1.130 HG22 :: 1.130 HG23 :: 1.130 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.400 Ave N Shift Values>> N :: 115.42(4.75) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.18 F 0.15 C 0.15 D 0.11 L 0.04 E 0.03 I 0.02 M 0.01 HN Overlap>> 1.Y101 1.C34 1.Y101 1.C34 C Shift Assignments>> C :: 176.631 CA :: 55.267 CB :: 38.387 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.927 HA :: 4.399 HB2 :: 2.725 HB3 :: 2.725 HD21 :: 6.728 HD22 :: 7.491 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 :: 118.684 ND2 :: 111.587 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.03 G 0.01 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> C :: 177.914 CA :: 57.049 CB :: 42.313 CG :: 26.877 CD1 :: 24.964 CD2 :: 23.862 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 :: 7.662 HA :: 4.067 HB2 :: 1.718 HB3 :: 1.525 HG :: 1.624 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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 :: 120.146 Ave N Shift Values>> N :: 121.86(3.9) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.36 R 0.04 HN Overlap>> 1.L62 1.L62 1.Y28 1.Y28 C Shift Assignments>> C :: 177.916 CA :: 57.151 CB :: 42.004 CG :: 26.988 CD1 :: 25.192 CD2 :: 23.824 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 :: 7.751 HA :: 4.068 HB2 :: 1.733 HB3 :: 1.506 HG :: 1.671 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 118.803 Ave N Shift Values>> N :: 121.86(3.9) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 176.982 CA :: 63.009 CB :: 37.995 CG1 :: 28.268 CG2 :: 17.627 CD1 :: 13.146 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 :: 7.733 HA :: 3.805 HB :: 1.862 HG12 :: 1.496 HG13 :: 1.137 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 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 :: 115.998 Ave N Shift Values>> N :: 121.46(4.28) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 178.009 CA :: 53.718 CB :: 18.814 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.735 HA :: 4.098 HB1 :: 1.358 HB2 :: 1.358 HB3 :: 1.358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.516 Ave N Shift Values>> N :: 123.23(3.54) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.27 L 0.1 F 0.1 Y 0.09 C 0.08 C Shift Assignments>> C :: 174.909 CA :: 53.962 CB :: 39.676 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.667 HA :: 4.649 HB2 :: 2.769 HB3 :: 2.598 HD21 :: 6.720 HD22 :: 7.480 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 :: 114.389 ND2 :: 111.734 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.04 G 0.01 C Shift Assignments>> C :: 177.014 CA :: 55.924 CB :: 42.383 CG :: 26.768 CD1 :: 25.097 CD2 :: 23.867 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 :: 7.704 HA :: 4.179 HB2 :: 1.619 HB3 :: 1.393 HG :: 1.671 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 121.070 Ave N Shift Values>> N :: 121.86(3.9) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.01 C Shift Assignments>> C :: 178.085 CA :: 53.306 CB :: 18.471 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.025 HA :: 4.210 HB1 :: 1.269 HB2 :: 1.269 HB3 :: 1.269 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.790 Ave N Shift Values>> N :: 123.23(3.54) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.26 I 0.2 C 0.17 L 0.01 D 0.01 E 0.01 C Shift Assignments>> C :: 176.416 CA :: 59.064 CB :: 38.958 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 :: 7.842 HA :: 4.454 HB2 :: 3.117 HB3 :: 3.117 HD1 :: 7.165 HD2 :: 7.165 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 :: 117.088 Ave N Shift Values>> N :: 120.45(4.18) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> C :: 175.522 CA :: 61.059 CB :: 62.994 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.013 HA :: 4.009 HB2 :: 3.881 HB3 :: 3.881 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 :: 114.770 Ave N Shift Values>> N :: 116.28(3.52) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.1 I 0.06 N 0.02 K 0.02 HN Overlap>> 1.F43 1.F43 C Shift Assignments>> C :: 178.197 CA :: 57.252 CB :: 40.055 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 :: 8.093 HA :: 4.327 HB2 :: 2.631 HB3 :: 2.631 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 :: 122.013 Ave N Shift Values>> N :: 120.65(3.86) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 Y 0.23 F 0.21 C 0.16 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 176.854 CA :: 60.748 CB :: 39.025 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 :: 7.935 HA :: 4.204 HB2 :: 3.194 HB3 :: 2.991 HD1 :: 7.069 HD2 :: 7.069 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.198 Ave N Shift Values>> N :: 120.45(4.18) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.39 R 0.05 HN Overlap>> 1.Y106 1.Y106 C Shift Assignments>> C :: 178.230 CA :: 57.760 CB :: 42.096 CG :: 27.308 CD1 :: 25.141 CD2 :: 23.778 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 :: 7.876 HA :: 4.077 HB2 :: 1.500 HB3 :: 1.625 HG :: 1.624 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.693 HD22 :: 0.693 HD23 :: 0.693 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 :: 118.322 Ave N Shift Values>> N :: 121.86(3.9) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 C Shift Assignments>> C :: 178.358 CA :: 57.845 CB :: 31.465 CG :: 32.552 CE :: 17.044 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 :: 7.937 HA :: 4.107 HB2 :: 2.118 HB3 :: 2.013 HG2 :: 2.640 HG3 :: 2.538 HE1 :: 1.942 HE2 :: 1.942 HE3 :: 1.942 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 :: 115.761 Ave N Shift Values>> N :: 120.09(3.57) 1.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.34 C 0.16 R 0.02 W 0.02 K 0.01 C Shift Assignments>> C :: 176.489 CA :: 62.257 CB :: 26.357 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.684 HA :: 4.053 HB2 :: 2.936 HB3 :: 2.812 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 :: 117.535 Ave N Shift Values>> N :: 120.17(4.64) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.03 C Shift Assignments>> C :: 176.955 CA :: 57.500 CB :: 42.050 CG :: 26.546 CD1 :: 25.253 CD2 :: 23.959 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 :: 7.530 HA :: 3.811 HB2 :: 1.718 HB3 :: 1.437 HG :: 1.456 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 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 :: 119.597 Ave N Shift Values>> N :: 121.86(3.9) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.04 G 0.01 C Shift Assignments>> C :: 177.303 CA :: 56.277 CB :: 42.158 CG :: 26.957 CD1 :: 25.133 CD2 :: 23.942 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 :: 7.547 HA :: 4.006 HB2 :: 1.707 HB3 :: 1.707 HG :: 1.612 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 113.463 Ave N Shift Values>> N :: 121.86(3.9) 1.C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.21 W 0.11 R 0.07 K 0.06 E 0.05 Q 0.05 P 0.04 H 0.04 L 0.01 C Shift Assignments>> C :: 175.267 CA :: 60.459 CB :: 27.955 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.477 HA :: 4.299 HB2 :: 2.935 HB3 :: 2.935 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 :: 113.323 Ave N Shift Values>> N :: 120.17(4.64) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.27 E 0.06 R 0.05 M 0.03 I 0.01 C Shift Assignments>> CA :: 57.598 CB :: 28.792 CG :: 33.800 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 :: 7.937 HA :: 4.115 HB2 :: 2.062 HB3 :: 2.062 HG2 :: 2.326 HG3 :: 2.326 HE21 :: 7.284 HE22 :: 6.633 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 :: 119.032 NE2 :: 111.142 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.238 CB :: 31.894 CG :: 27.364 CD :: 50.316 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 :: 4.357 HB2 :: 2.187 HB3 :: 1.785 HG2 :: 1.898 HG3 :: 1.898 HD2 :: 3.695 HD3 :: 3.471 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.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 HN Overlap>> 1.S14 1.S14 C Shift Assignments>> C :: 178.197 CA :: 57.592 CB :: 41.030 CG :: 27.176 CD1 :: 25.060 CD2 :: 23.816 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 :: 8.103 HA :: 4.001 HB2 :: 1.652 HB3 :: 1.652 HG :: 1.656 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.769 HD22 :: 0.769 HD23 :: 0.769 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.345 Ave N Shift Values>> N :: 121.86(3.9) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 65.479 CB :: 68.799 CG2 :: 21.989 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 :: 7.676 HA :: 3.817 HB :: 4.131 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.005 Ave N Shift Values>> N :: 115.42(4.75) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 I 0.03 C 0.03 C Shift Assignments>> C :: 178.848 CA :: 55.204 CB :: 18.438 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.835 HA :: 4.080 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 :: 124.519 Ave N Shift Values>> N :: 123.23(3.54) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.032 CA :: 66.336 CB :: 31.457 CG1 :: 21.340 CG2 :: 22.592 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 :: 7.679 HA :: 3.520 HB :: 2.085 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 116.201 Ave N Shift Values>> N :: 121.14(4.54) 1.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.25 Y 0.18 F 0.12 E 0.08 V 0.01 M 0.01 HN Overlap>> 1.N77 1.N77 C Shift Assignments>> C :: 177.758 CA :: 60.423 CB :: 37.329 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 :: 7.943 HA :: 4.241 HB2 :: 3.096 HB3 :: 2.978 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 6.642 HE2 :: 6.642 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 :: 118.579 Ave N Shift Values>> N :: 120.52(4.2) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.S37 1.S37 C Shift Assignments>> C :: 176.027 CA :: 66.333 CB :: 68.968 CG2 :: 22.011 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 :: 7.907 HA :: 3.941 HB :: 4.289 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 :: 114.902 Ave N Shift Values>> N :: 115.42(4.75) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.V67 1.V67 1.N59 1.N59 C Shift Assignments>> C :: 177.296 CA :: 64.866 CB :: 37.834 CG1 :: 29.003 CG2 :: 17.755 CD1 :: 13.279 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 :: 7.786 HA :: 3.808 HB :: 1.960 HG12 :: 1.666 HG13 :: 1.666 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 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 :: 120.209 Ave N Shift Values>> N :: 121.46(4.28) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 C Shift Assignments>> C :: 177.495 CA :: 58.602 CB :: 31.869 CG :: 32.618 CE :: 17.178 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 :: 8.024 HA :: 4.127 HB2 :: 2.120 HB3 :: 2.044 HG2 :: 2.415 HG3 :: 2.601 HE1 :: 1.922 HE2 :: 1.922 HE3 :: 1.922 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 :: 117.854 Ave N Shift Values>> N :: 120.09(3.57) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 D 0.15 L 0.12 C 0.11 N 0.05 I 0.04 K 0.01 C Shift Assignments>> C :: 177.742 CA :: 56.614 CB :: 39.990 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 :: 8.003 HA :: 4.443 HB2 :: 2.655 HB3 :: 2.560 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.278 Ave N Shift Values>> N :: 120.65(3.86) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.23 F 0.19 C 0.19 E 0.01 HN Overlap>> 1.L89 1.L89 C Shift Assignments>> C :: 177.029 CA :: 60.491 CB :: 38.471 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 :: 7.862 HA :: 4.319 HB2 :: 3.038 HB3 :: 2.990 HD1 :: 7.134 HD2 :: 7.134 HE1 :: 6.835 HE2 :: 6.835 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 :: 118.423 Ave N Shift Values>> N :: 120.52(4.2) 1.W107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 I 0.09 R 0.09 H 0.08 K 0.08 Q 0.07 V 0.04 M 0.02 C Shift Assignments>> C :: 176.966 CA :: 59.799 CB :: 29.776 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 :: 8.185 HA :: 4.328 HB2 :: 3.341 HB3 :: 3.208 HD1 :: 7.097 HE1 :: 9.864 HZ2 :: 7.265 HH2 :: 6.972 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 :: 120.391 NE1 :: 128.128 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.551 CA :: 63.339 CB :: 37.684 CG1 :: 28.028 CG2 :: 17.056 CD1 :: 12.963 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 :: 7.764 HA :: 3.695 HB :: 1.656 HG12 :: 1.319 HG13 :: 0.943 HG21 :: 0.466 HG22 :: 0.466 HG23 :: 0.466 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 :: 117.284 Ave N Shift Values>> N :: 121.46(4.28) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 Y 0.26 F 0.21 C 0.19 E 0.02 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 177.289 CA :: 59.804 CB :: 38.513 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 :: 7.699 HA :: 4.381 HB2 :: 3.168 HB3 :: 3.168 HD1 :: 7.157 HD2 :: 7.157 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 :: 119.860 Ave N Shift Values>> N :: 120.45(4.18) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.728 CA :: 46.802 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.067 HA2 :: 3.668 HA3 :: 3.668 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.841 Ave N Shift Values>> N :: 109.67(3.87) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 E 0.07 R 0.05 I 0.02 M 0.01 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> C :: 177.570 CA :: 58.442 CB :: 28.614 CG :: 33.936 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.192 HA :: 3.973 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.293 HG3 :: 2.293 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.817 Ave N Shift Values>> N :: 120.67(3.48) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.617 CA :: 65.211 CB :: 68.959 CG2 :: 21.652 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 :: 7.775 HA :: 3.884 HB :: 4.118 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.647 Ave N Shift Values>> N :: 115.42(4.75) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.03 C Shift Assignments>> C :: 178.085 CA :: 57.630 CB :: 41.718 CG :: 26.912 CD1 :: 25.400 CD2 :: 23.815 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 :: 7.887 HA :: 4.016 HB2 :: 1.470 HB3 :: 1.470 HG :: 1.614 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 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 :: 121.633 Ave N Shift Values>> N :: 121.86(3.9) 1.C114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.2 P 0.11 R 0.08 W 0.07 Q 0.03 E 0.02 K 0.02 H 0.02 L 0.01 C Shift Assignments>> C :: 175.433 CA :: 60.928 CB :: 27.284 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.809 HA :: 4.129 HB2 :: 2.813 HB3 :: 2.768 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 :: 115.726 Ave N Shift Values>> N :: 120.17(4.64) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 C Shift Assignments>> C :: 176.860 CA :: 57.495 CB :: 32.433 CG :: 25.059 CD :: 29.019 CE :: 41.993 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.808 HA :: 4.033 HB2 :: 1.618 HB3 :: 1.618 HG2 :: 1.307 HG3 :: 1.307 HD2 :: 1.530 HD3 :: 1.530 HE2 :: 2.821 HE3 :: 2.821 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 :: 119.396 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.36 C 0.24 HN Overlap>> 1.C64 1.L7 1.C64 1.L7 C Shift Assignments>> C :: 173.492 CA :: 55.450 CB :: 29.359 CD2 :: 119.698 CE1 :: 136.765 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 :: 7.902 HA :: 4.514 HB2 :: 3.076 HB3 :: 2.987 HD2 :: 7.114 HE1 :: 8.331 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.460 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.34 C 0.3 C Shift Assignments>> CA :: 57.145 CB :: 29.764 CD2 :: 120.161 CE1 :: 136.148 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 :: 8.070 HA :: 4.333 HB2 :: 2.993 HB3 :: 3.128 HD2 :: 7.151 HE1 :: 8.390 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 :: 125.037 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 121 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 0 C Shift Results: #Consistent: 479 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 837 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0