M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.35 A 0.24 C Shift Assignments>> CA :: 52.460 CB :: 40.158 CD1 :: 22.588 CD2 :: 22.478 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.227 HA :: 4.478 HB2 :: 1.723 HB3 :: 1.668 HD1 :: 0.957 HD2 :: 0.962 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.208 Ave N Shift Values>> N :: 121.98(4.07) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.22 D 0.12 R 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> CA :: 42.096 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.218 HA2 :: 4.221 HA3 :: 4.120 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.461 Ave N Shift Values>> N :: 109.91(4.29) P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.26 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.03 G 0.02 I 0.01 HN Overlap>> G101 C Shift Assignments>> CA :: 42.718 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.156 HA2 :: 3.988 HA3 :: 3.988 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.338 Ave N Shift Values>> N :: 109.91(4.29) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.27 K 0.25 R 0.11 E 0.04 M 0.03 C Shift Assignments>> CA :: 54.464 CB :: 27.854 CG :: 33.477 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.396 HA :: 4.282 HB2 :: 2.107 HB3 :: 1.971 HG2 :: 2.305 HG3 :: 2.305 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.288 Ave N Shift Values>> N :: 120.68(3.68) G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 L 0.21 D 0.14 F 0.1 C 0.07 Y 0.06 R 0.06 I 0.03 N 0.02 C Shift Assignments>> CA :: 41.786 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.964 HA2 :: 3.808 HA3 :: 3.519 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.431 Ave N Shift Values>> N :: 109.91(4.29) F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 N 0.28 E 0.12 M 0.09 Y 0.06 K 0.03 F 0.03 D 0.02 Q 0.01 HN Overlap>> E64 C Shift Assignments>> CA :: 53.480 CB :: 36.414 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.401 HA :: 4.894 HB2 :: 2.955 HB3 :: 2.780 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 7.452 HE2 :: 7.452 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.567 Ave N Shift Values>> N :: 120.69(4.18) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.29 A 0.03 C Shift Assignments>> CA :: 58.238 CB :: 33.807 CG1 :: 20.536 CG2 :: 19.343 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.893 HA :: 5.241 HB :: 1.668 HG1 :: 1.109 HG2 :: 0.916 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.804 Ave N Shift Values>> N :: 121.02(4.96) V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 A 0.21 I 0.01 C Shift Assignments>> CA :: 56.319 CB :: 32.630 CG1 :: 19.934 CG2 :: 15.634 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.708 HA :: 5.177 HB :: 2.245 HG1 :: 0.960 HG2 :: 0.817 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.508 Ave N Shift Values>> N :: 121.02(4.96) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 A 0.36 M 0.01 C Shift Assignments>> CA :: 51.544 CB :: 33.619 CG :: 22.295 CD :: 26.860 CE :: 39.209 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.356 HA :: 5.093 HB2 :: 1.624 HB3 :: 1.374 HG2 :: 0.932 HG3 :: 0.636 HD2 :: 1.432 HD3 :: 1.392 HE2 :: 2.633 HE3 :: 2.371 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.654 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.15 A 0.06 G 0.06 C Shift Assignments>> CA :: 50.533 CB :: 42.168 CG :: 26.128 CD1 :: 23.720 CD2 :: 23.292 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.113 HA :: 5.666 HB2 :: 1.514 HB3 :: 1.387 HG :: 1.757 HD1 :: 0.849 HD2 :: 0.935 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.419 Ave N Shift Values>> N :: 121.98(4.07) R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.39 R 0.09 C Shift Assignments>> CA :: 52.908 CB :: 32.435 CG :: 25.110 CD :: 41.440 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.082 HA :: 5.128 HB2 :: 2.052 HB3 :: 1.887 HG2 :: 1.767 HG3 :: 1.767 HD2 :: 3.277 HD3 :: 3.277 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.233 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.17 R 0.16 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 N 0.01 G 0.01 C Shift Assignments>> CA :: 42.366 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.011 HA2 :: 4.704 HA3 :: 3.737 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.616 Ave N Shift Values>> N :: 109.91(4.29) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.26 C Shift Assignments>> CA :: 51.042 CB :: 38.103 CG :: 24.377 CD1 :: 24.015 CD2 :: 20.541 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.466 HA :: 4.043 HB2 :: 1.518 HB3 :: 1.437 HG :: 1.516 HD1 :: 0.761 HD2 :: 0.783 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.409 Ave N Shift Values>> N :: 121.98(4.07) P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 G 0.08 C Shift Assignments>> CA :: 59.773 CB :: 29.593 CG :: 24.738 CD :: 48.010 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.360 HB2 :: 2.279 HB3 :: 1.892 HG2 :: 1.987 HG3 :: 1.987 HD2 :: 3.612 HD3 :: 3.510 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.2 R 0.19 C 0.13 Q 0.07 H 0.05 W 0.03 I 0.02 E 0.01 M 0.01 HN Overlap>> Y82 C Shift Assignments>> CA :: 55.732 CB :: 25.904 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.119 HA :: 4.453 HB2 :: 3.360 HB3 :: 3.360 HD1 :: 7.266 HE3 :: 7.635 HZ2 :: 7.540 HZ3 :: 7.172 HH2 :: 7.269 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.976 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 C 0.44 C Shift Assignments>> CA :: 54.470 CB :: 60.130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.254 HA :: 4.159 HB2 :: 3.753 HB3 :: 3.379 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.933 Ave N Shift Values>> N :: 116.3(3.95) C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 L 0.23 R 0.15 C 0.13 I 0.05 Q 0.04 H 0.02 W 0.02 M 0.01 E 0.01 C Shift Assignments>> CA :: 57.114 CB :: 25.344 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.630 HA :: 4.410 HB2 :: 3.057 HB3 :: 2.746 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.305 Ave N Shift Values>> N :: 119.95(4.79) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 P 0.02 C 0.02 HN Overlap>> V183 F184 C Shift Assignments>> CA :: 53.815 CB :: 64.673 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.345 HA :: 5.064 HB2 :: 4.500 HB3 :: 4.069 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.353 Ave N Shift Values>> N :: 116.3(3.95) V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.33 I 0.07 C Shift Assignments>> CA :: 64.846 CB :: 29.035 CG1 :: 20.166 CG2 :: 18.621 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.174 HA :: 3.804 HB :: 2.245 HG1 :: 1.254 HG2 :: 1.085 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.081 Ave N Shift Values>> N :: 121.02(4.96) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.22 Q 0.18 R 0.06 E 0.06 I 0.04 M 0.01 HN Overlap>> V96 C Shift Assignments>> CA :: 57.671 CB :: 26.337 CG :: 34.449 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.743 HA :: 4.192 HB2 :: 2.130 HB3 :: 1.997 HG2 :: 2.476 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.869 Ave N Shift Values>> N :: 120.68(3.68) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.2 Y 0.17 D 0.15 F 0.14 L 0.04 E 0.03 I 0.02 C Shift Assignments>> CA :: 55.270 CB :: 38.765 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.973 HA :: 4.492 HB2 :: 3.338 HB3 :: 2.748 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.581 Ave N Shift Values>> N :: 120.73(4.2) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> CA :: 64.790 CB :: 28.730 CG1 :: 21.070 CG2 :: 19.909 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.547 HA :: 3.466 HB :: 2.292 HG1 :: 0.970 HG2 :: 0.796 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.595 Ave N Shift Values>> N :: 121.02(4.96) Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.26 K 0.21 Q 0.13 M 0.01 C Shift Assignments>> CA :: 57.036 CB :: 26.632 CG :: 32.434 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.490 HA :: 3.794 HB2 :: 2.209 HB3 :: 2.091 HG2 :: 2.421 HG3 :: 2.421 HE21 :: 7.091 HE22 :: 6.706 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.833 NE2 :: 109.325 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 N 0.25 M 0.12 E 0.1 K 0.04 Y 0.04 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> CA :: 52.897 CB :: 35.934 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.368 HA :: 4.515 HB2 :: 2.971 HB3 :: 2.915 HD21 :: 7.715 HD22 :: 7.013 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.412 ND2 :: 112.796 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 E 0.15 F 0.15 I 0.14 M 0.01 C Shift Assignments>> CA :: 58.561 CB :: 37.581 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.048 HA :: 4.468 HB2 :: 3.410 HB3 :: 3.124 HD1 :: 7.175 HD2 :: 7.175 HE1 :: 7.030 HE2 :: 7.030 HZ :: 7.383 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.683 Ave N Shift Values>> N :: 120.69(4.18) L31 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 C 0.25 G 0.01 HN Overlap>> E56 C Shift Assignments>> CA :: 49.527 CB :: 37.181 CG :: 23.930 CD1 :: 20.095 CD2 :: 19.920 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.856 HA :: 4.514 HB2 :: 1.797 HB3 :: 1.611 HG :: 1.954 HD1 :: 0.850 HD2 :: 0.799 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.236 Ave N Shift Values>> N :: 121.98(4.07) S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.910 CB :: 60.594 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.945 HA :: 4.190 HB2 :: 4.197 HB3 :: 4.048 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.123 Ave N Shift Values>> N :: 116.3(3.95) D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.18 D 0.1 Y 0.05 F 0.03 E 0.01 L 0.01 M 0.01 C Shift Assignments>> CA :: 52.177 CB :: 38.036 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.586 HA :: 4.628 HB2 :: 2.884 HB3 :: 2.810 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.465 Ave N Shift Values>> N :: 120.73(4.2) C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 R 0.18 P 0.14 L 0.1 Q 0.08 K 0.07 C 0.06 H 0.05 W 0.04 E 0.03 C Shift Assignments>> CB :: 27.534 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.982 HA :: 4.714 HB2 :: 2.968 HB3 :: 2.672 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.616 Ave N Shift Values>> N :: 119.95(4.79) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 HN Overlap>> V85 C Shift Assignments>> CA :: 60.428 CB :: 66.301 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.769 HA :: 4.304 HB :: 4.322 HG2 :: 1.189 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.961 Ave N Shift Values>> N :: 115.7(5.05) I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.15 C Shift Assignments>> CA :: 58.679 CB :: 35.898 CG1 :: 25.199 CG2 :: 14.831 CD1 :: 11.090 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.613 HA :: 4.305 HB :: 1.667 HG2 :: 1.001 HG12 :: 1.584 HG13 :: 1.584 HD1 :: 0.718 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.519 Ave N Shift Values>> N :: 121.6(4.72) H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.19 C 0.13 K 0.1 Q 0.09 H 0.07 W 0.04 E 0.02 I 0.01 C Shift Assignments>> CA :: 54.546 CB :: 26.486 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.974 HA :: 4.250 HB2 :: 2.973 HB3 :: 2.668 HD2 :: 8.642 HE1 :: 7.249 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 130.567 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.32 M 0.08 E 0.07 Y 0.05 K 0.02 F 0.02 D 0.02 C Shift Assignments>> CA :: 52.586 CB :: 36.347 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.380 HA :: 4.108 HB2 :: 2.867 HB3 :: 2.363 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.220 Ave N Shift Values>> N :: 120.73(4.2) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.078 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.807 HA2 :: 3.855 HA3 :: 3.522 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.019 Ave N Shift Values>> N :: 109.91(4.29) A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.43 C 0.01 C Shift Assignments>> CA :: 52.370 CB :: 16.236 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.682 HA :: 3.788 HB :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.995 Ave N Shift Values>> N :: 123.23(3.7) A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.32 C 0.01 C Shift Assignments>> CA :: 50.694 CB :: 15.802 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.494 HA :: 4.247 HB :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.399 Ave N Shift Values>> N :: 123.23(3.7) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 K 0.1 D 0.07 C 0.07 F 0.05 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.813 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.119 HA2 :: 4.411 HA3 :: 4.254 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.184 Ave N Shift Values>> N :: 109.91(4.29) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.38 M 0.13 V 0.04 C Shift Assignments>> CA :: 59.402 CB :: 29.405 CG1 :: 18.715 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.033 HA :: 4.155 HB :: 2.116 HG1 :: 0.885 HG2 :: 0.329 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.389 Ave N Shift Values>> N :: 121.02(4.96) H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.88 C 0.04 L 0.03 R 0.01 C Shift Assignments>> CA :: 49.871 CB :: 26.826 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.052 HA :: 5.117 HB2 :: 3.505 HB3 :: 3.175 HD2 :: 8.642 HE1 :: 7.088 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.353 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.28 Y 0.13 M 0.07 F 0.06 I 0.05 K 0.04 N 0.01 Q 0.01 V 0.01 C Shift Assignments>> CA :: 57.305 CB :: 36.400 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.886 HA :: 4.543 HB2 :: 2.812 HB3 :: 2.812 HD1 :: 7.284 HD2 :: 7.284 HE1 :: 7.097 HE2 :: 7.097 HZ :: 6.804 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.240 Ave N Shift Values>> N :: 120.69(4.18) I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 I 0.02 A 0.01 HN Overlap>> I141 K171 C Shift Assignments>> CA :: 57.113 CB :: 34.736 CG1 :: 24.776 CG2 :: 15.092 CD1 :: 9.720 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.791 HA :: 4.544 HB :: 1.906 HG2 :: 1.009 HG12 :: 1.611 HG13 :: 1.372 HD1 :: 0.802 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 121.6(4.72) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.21 Y 0.16 D 0.12 F 0.12 E 0.05 L 0.03 I 0.02 M 0.01 C Shift Assignments>> CA :: 55.017 CB :: 38.424 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.367 HA :: 5.293 HB2 :: 3.002 HB3 :: 2.960 HD1 :: 7.026 HD2 :: 7.026 HE1 :: 6.912 HE2 :: 6.912 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.622 Ave N Shift Values>> N :: 120.79(4.69) T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.27 I 0.13 V 0.1 T 0.04 C 0.01 C Shift Assignments>> CG2 :: 19.106 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.419 HA :: 4.707 HB :: 3.933 HG2 :: 1.301 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.873 Ave N Shift Values>> N :: 115.7(5.05) R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 K 0.27 C 0.27 C Shift Assignments>> CA :: 55.918 CB :: 27.082 CG :: 24.603 CD :: 40.716 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.121 HA :: 4.107 HB2 :: 1.994 HB3 :: 1.994 HG2 :: 1.811 HG3 :: 1.811 HD2 :: 3.330 HD3 :: 3.330 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.231 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.27 K 0.18 R 0.08 E 0.05 M 0.01 HN Overlap>> S193 C Shift Assignments>> CA :: 54.165 CB :: 27.029 CG :: 34.204 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.884 HA :: 4.411 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 2.284 HG3 :: 2.284 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.509 Ave N Shift Values>> N :: 120.68(3.68) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.132 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.267 HA2 :: 4.281 HA3 :: 3.682 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.490 Ave N Shift Values>> N :: 109.91(4.29) R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.14 H 0.13 W 0.12 E 0.11 I 0.09 C 0.08 R 0.07 M 0.01 P 0.01 V 0.01 L 0.01 C Shift Assignments>> CB :: 29.170 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.329 HA :: 4.722 HB2 :: 1.946 HB3 :: 1.766 HG2 :: 1.643 HG3 :: 1.643 HD2 :: 3.098 HD3 :: 3.098 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.361 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q53 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.29 R 0.24 L 0.06 M 0.01 C Shift Assignments>> CA :: 55.681 CB :: 25.431 CG :: 29.562(S) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.957 HA :: 3.932 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 2.315 HG3 :: 1.963 HE21 :: 6.535 HE22 :: 6.387 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.212 NE2 :: 109.069 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.737 CB :: 63.195 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.605 HA :: 4.328 HB2 :: 4.155 HB3 :: 4.155 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.125 Ave N Shift Values>> N :: 116.3(3.95) G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.103 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.787 HA2 :: 4.542 HA3 :: 4.004 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.457 Ave N Shift Values>> N :: 109.91(4.29) E56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 M 0.39 Q 0.08 E 0.05 K 0.01 HN Overlap>> L31 C Shift Assignments>> CA :: 51.317 CB :: 31.817 CG :: 34.658 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.878 HA :: 5.680(S) HB2 :: 1.893 HB3 :: 1.893 HG2 :: 2.315 HG3 :: 2.164 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.301 Ave N Shift Values>> N :: 120.68(3.68) A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 G 0.21 C 0.04 M 0.03 C Shift Assignments>> CA :: 48.628 CB :: 20.419 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.609 HA :: 5.088 HB :: 0.941 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.667 Ave N Shift Values>> N :: 123.23(3.7) F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 C 0.12 F 0.1 K 0.1 N 0.1 Y 0.09 R 0.01 HN Overlap>> F156 C Shift Assignments>> CA :: 54.745 CB :: 40.803 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.915 HA :: 5.510 HB2 :: 3.053 HB3 :: 2.766 HD1 :: 7.128 HD2 :: 7.128 HE1 :: 7.402 HE2 :: 7.402 HZ :: 7.256 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.490 Ave N Shift Values>> N :: 120.69(4.18) V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.27 A 0.03 HN Overlap>> R75 C Shift Assignments>> CA :: 58.154 CB :: 32.156 CG1 :: 20.374 CG2 :: 19.011 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.391 HA :: 5.153 HB :: 1.832 HG1 :: 0.835 HG2 :: 0.763 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.715 Ave N Shift Values>> N :: 121.02(4.96) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.27 K 0.11 M 0.09 Q 0.08 C Shift Assignments>> CA :: 53.356 CB :: 29.712 CG :: 35.933 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.258 HA :: 4.926 HB2 :: 2.439 HB3 :: 2.363 HG2 :: 2.557 HG3 :: 2.294 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.981 Ave N Shift Values>> N :: 120.68(3.68) L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 C 0.3 L 0.22 G 0.05 HN Overlap>> L115 C Shift Assignments>> CA :: 50.634 CB :: 41.795 CG :: 24.165 CD1 :: 25.368 CD2 :: 22.152 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.222 HA :: 5.351 HB2 :: 1.825 HB3 :: 1.728 HG :: 1.821 HD1 :: 0.828 HD2 :: 0.829 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.236 Ave N Shift Values>> N :: 121.98(4.07) G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> CA :: 44.977 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.248 HA2 :: 4.183 HA3 :: 3.767 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.726 Ave N Shift Values>> N :: 109.91(4.29) S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.758 CB :: 64.557 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.177 HA :: 3.963 HB2 :: 3.958 HB3 :: 3.958 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.278 Ave N Shift Values>> N :: 116.3(3.95) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.19 R 0.14 E 0.04 M 0.01 HN Overlap>> F11 C Shift Assignments>> CA :: 56.520 CB :: 26.739 CG :: 33.611 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.404 HA :: 3.726 HB2 :: 2.118 HB3 :: 1.984 HG2 :: 2.387 HG3 :: 2.387 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.493 Ave N Shift Values>> N :: 120.68(3.68) D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.22 Y 0.15 E 0.11 F 0.09 D 0.06 M 0.03 I 0.02 L 0.01 K 0.01 C Shift Assignments>> CA :: 55.034 CB :: 37.644 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.974 HA :: 4.396 HB2 :: 2.658 HB3 :: 2.530 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.352 Ave N Shift Values>> N :: 120.73(4.2) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.19 D 0.18 C 0.1 F 0.09 R 0.08 Y 0.07 N 0.03 HN Overlap>> M93 E154 H172 C Shift Assignments>> CA :: 55.389 CB :: 41.655 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.560 HA :: 4.583 HB2 :: 3.119 HB3 :: 2.668 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.205 Ave N Shift Values>> N :: 120.73(4.2) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.4 I 0.03 C Shift Assignments>> CA :: 64.316 CB :: 28.743 CG1 :: 21.024 CG2 :: 18.568 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.437 HA :: 3.394 HB :: 2.567 HG1 :: 1.231 HG2 :: 1.020 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.312 Ave N Shift Values>> N :: 121.02(4.96) K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.06 K 0.04 R 0.03 M 0.01 C Shift Assignments>> CA :: 57.688 CB :: 29.748 CG :: 23.106 CD :: 26.906 CE :: 39.619 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.795 HA :: 3.933 HB2 :: 2.032 HB3 :: 1.964 HG2 :: 1.731 HG3 :: 1.494 HD2 :: 1.790 HD3 :: 1.790 HE2 :: 3.036 HE3 :: 3.036 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.506 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.32 A 0.04 C Shift Assignments>> CA :: 55.313 CB :: 30.007 CG :: 30.003 CE :: 14.728 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.804 HA :: 4.209 HB2 :: 2.295 HB3 :: 2.036 HG2 :: 2.679 HG3 :: 2.656 HE :: 2.114 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.225 Ave N Shift Values>> N :: 120.1(3.88) A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.47 C 0.01 C Shift Assignments>> CA :: 52.603 CB :: 15.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.496 HA :: 3.870 HB :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.792 Ave N Shift Values>> N :: 123.23(3.7) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 A 0.45 L 0.02 C Shift Assignments>> CA :: 54.990 CB :: 38.606 CG :: 24.580 CD1 :: 23.453 CD2 :: 20.083 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.312 HA :: 3.896 HB2 :: 1.906 HB3 :: 1.618 HG :: 1.965 HD1 :: 0.969 HD2 :: 0.855 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.245 Ave N Shift Values>> N :: 121.98(4.07) K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 L 0.09 A 0.07 R 0.03 K 0.02 M 0.01 C Shift Assignments>> CA :: 55.433 CB :: 29.713 CG :: 22.716 CD :: 26.759 CE :: 39.647 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.345 HA :: 4.236 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 1.791 HG3 :: 1.605 HD2 :: 1.791 HD3 :: 1.791 HE2 :: 3.059 HE3 :: 3.059 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.015 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.29 A 0.23 C Shift Assignments>> CA :: 52.487 CB :: 28.609 CG :: 22.591 CD :: 26.250 CE :: 39.634 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.734 HA :: 4.212 HB2 :: 1.877 HB3 :: 1.877 HG2 :: 1.381 HG3 :: 1.292 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.946 HE3 :: 2.946 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.911 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.2 C 0.15 Y 0.13 F 0.12 L 0.09 K 0.01 I 0.01 C Shift Assignments>> CA :: 54.671 CB :: 39.659 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.263 HA :: 4.437 HB2 :: 2.949 HB3 :: 2.706 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.801 Ave N Shift Values>> N :: 120.73(4.2) R75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.34 K 0.14 HN Overlap>> V59 C Shift Assignments>> CA :: 56.265 CB :: 24.566(S) CG :: 26.058 CD :: 40.619 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.464 HA :: 3.667 HB2 :: 2.120 HB3 :: 2.079 HG2 :: 1.704 HG3 :: 1.506 HD2 :: 3.154 HD3 :: 3.154 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.676 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.24 E 0.14 P 0.12 I 0.1 R 0.05 C Shift Assignments>> CB :: 27.355 CG :: 34.590 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.309 HA :: 4.679 HB2 :: 2.413 HB3 :: 2.413 HG2 :: 2.457 HG3 :: 2.327 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.913 Ave N Shift Values>> N :: 120.68(3.68) S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.620 CB :: 63.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.454 HA :: 5.149 HB2 :: 3.665 HB3 :: 3.618 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.529 Ave N Shift Values>> N :: 116.3(3.95) M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.27 Q 0.17 R 0.14 M 0.05 P 0.03 E 0.01 HN Overlap>> F159 C Shift Assignments>> CA :: 52.780 CB :: 32.485 CG :: 28.818 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.605 HA :: 4.507 HB2 :: 1.829 HB3 :: 1.718 HG2 :: 2.486 HG3 :: 2.218 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.921 Ave N Shift Values>> N :: 120.1(3.88) G79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.909 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.934 Ave N Shift Values>> N :: 109.91(4.29) H80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.27 L 0.2 A 0.02 R 0.01 C Shift Assignments>> CA :: 51.782 CB :: 29.242 CG :: 24.390 CD :: 40.319 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.648 HA :: 4.512 HB2 :: 1.994 HB3 :: 1.804 HG2 :: 1.534 HG3 :: 1.534 HD2 :: 3.210 HD3 :: 3.166 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.528 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.28 I 0.11 Y 0.08 N 0.07 M 0.04 F 0.03 K 0.02 V 0.01 HN Overlap>> W20 C Shift Assignments>> CB :: 36.389 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.182 HA :: 4.676 HB2 :: 2.866 HB3 :: 2.773 HD1 :: 7.135 HD2 :: 7.135 HE1 :: 6.862 HE2 :: 6.862 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.029 Ave N Shift Values>> N :: 120.79(4.69) I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 A 0.08 HN Overlap>> E84 C Shift Assignments>> CA :: 55.419 CB :: 34.340 CG1 :: 24.991 CG2 :: 15.228 CD1 :: 7.787 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.561 HA :: 4.566 HB :: 2.022 HG2 :: 0.606 HG12 :: 1.375 HG13 :: 1.375 HD1 :: 0.300 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.352 Ave N Shift Values>> N :: 121.6(4.72) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.28 Q 0.16 E 0.1 K 0.07 HN Overlap>> I83 C Shift Assignments>> CA :: 52.285 CB :: 30.805 CG :: 34.708 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.615 HA :: 4.839 HB2 :: 1.992 HB3 :: 1.922 HG2 :: 2.323 HG3 :: 2.190 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.369 Ave N Shift Values>> N :: 120.68(3.68) V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.05 V 0.03 A 0.03 HN Overlap>> T35 C Shift Assignments>> CA :: 58.560 CB :: 31.854 CG1 :: 18.413 CG2 :: 17.474 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.737 HA :: 4.832 HB :: 1.772 HG1 :: 0.809 HG2 :: 0.993 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.872 Ave N Shift Values>> N :: 121.02(4.96) F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.3 C 0.12 L 0.08 F 0.06 Y 0.06 K 0.01 HN Overlap>> Q162 C Shift Assignments>> CA :: 52.804 CB :: 39.988 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.219 HA :: 4.957 HB2 :: 3.319 HB3 :: 2.803 HD1 :: 7.205 HD2 :: 7.205 HE1 :: 7.262 HE2 :: 7.262 HZ :: 7.126 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.200 Ave N Shift Values>> N :: 120.69(4.18) K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 K 0.08 R 0.03 L 0.02 M 0.02 A 0.01 HN Overlap>> K185 C Shift Assignments>> CA :: 56.171 CB :: 30.344 CG :: 23.529 CD :: 27.113 CE :: 39.521 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.227 HA :: 4.300 HB2 :: 2.120 HB3 :: 1.920 HG2 :: 1.779 HG3 :: 1.716 HE2 :: 3.235 HE3 :: 3.235 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.427 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 S 0.16 C 0.15 HN Overlap>> L134 C Shift Assignments>> CA :: 52.719 CB :: 61.848 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.394 HA :: 4.769 HB2 :: 3.876 HB3 :: 3.381 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.799 Ave N Shift Values>> N :: 116.3(3.95) H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 C 0.17 R 0.13 Q 0.11 W 0.11 M 0.1 E 0.07 K 0.07 C Shift Assignments>> CA :: 53.387 CB :: 30.276 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.624 HA :: 4.834 HB2 :: 3.544 HB3 :: 3.372 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.678 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 S 0.16 C 0.15 C Shift Assignments>> CA :: 63.968 CB :: 65.854 CG2 :: 19.642 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.214 HA :: 4.107 HB :: 4.311 HG2 :: 1.350 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.117 Ave N Shift Values>> N :: 115.7(5.05) E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.23 K 0.19 R 0.09 E 0.06 I 0.02 M 0.01 HN Overlap>> E135 C Shift Assignments>> CA :: 56.701 CB :: 26.637 CG :: 34.211 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.534 HA :: 4.163 HB2 :: 1.987 HB3 :: 1.898 HG2 :: 2.387 HG3 :: 2.387 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.409 Ave N Shift Values>> N :: 120.68(3.68) M93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.4 I 0.08 HN Overlap>> D66 E154 H172 C Shift Assignments>> CA :: 57.759 CB :: 31.657 CE :: 14.769 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.503 HA :: 3.853 HB2 :: 1.985 HB3 :: 1.268 HE :: 1.786 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.262 Ave N Shift Values>> N :: 120.1(3.88) D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.21 Y 0.15 D 0.11 F 0.11 E 0.05 L 0.02 I 0.01 M 0.01 C Shift Assignments>> CA :: 54.783 CB :: 38.247 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.615 HA :: 4.235 HB2 :: 2.742 HB3 :: 2.612 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.773 Ave N Shift Values>> N :: 120.73(4.2) W95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 I 0.19 C 0.15 L 0.09 Q 0.08 W 0.08 K 0.07 H 0.05 E 0.04 P 0.01 HN Overlap>> E126 C Shift Assignments>> CA :: 59.075 CB :: 26.702 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.840 HA :: 4.287 HB2 :: 3.560 HB3 :: 3.498 HD1 :: 7.212 HE1 :: 10.050 HE3 :: 7.593 HZ3 :: 7.136 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.013 NE1 :: 129.559 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.25 HN Overlap>> E25 C Shift Assignments>> CA :: 64.296 CB :: 29.209 CG1 :: 21.159 CG2 :: 19.284 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.825 HA :: 3.713 HB :: 2.216 HG1 :: 1.489 HG2 :: 1.224 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.874 Ave N Shift Values>> N :: 121.02(4.96) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 A 0.36 L 0.01 C Shift Assignments>> CA :: 55.393 CB :: 38.615 CG :: 24.299 CD1 :: 20.453 CD2 :: 23.537 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.629 HA :: 4.148 HB2 :: 1.899 HB3 :: 1.519 HG :: 1.854 HD1 :: 1.015 HD2 :: 0.727 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.256 Ave N Shift Values>> N :: 121.98(4.07) K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 A 0.08 L 0.06 R 0.02 K 0.02 M 0.01 C Shift Assignments>> CA :: 54.822 CB :: 30.152 CG :: 22.901 CD :: 26.267 CE :: 39.500 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.591 HA :: 4.216 HB2 :: 1.703 HB3 :: 1.575 HG2 :: 1.394 HG3 :: 1.280 HD2 :: 1.586 HD3 :: 1.586 HE2 :: 2.943 HE3 :: 2.943 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.595 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 K 0.19 C 0.14 R 0.14 Q 0.05 H 0.04 W 0.02 M 0.01 C Shift Assignments>> CA :: 53.689 CB :: 25.583 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.567 HA :: 4.616 HB2 :: 3.281 HB3 :: 2.434 HE1 :: 6.912 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.300 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.460 HA :: 4.915 HB2 :: 4.171 HB3 :: 4.171 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.351 Ave N Shift Values>> N :: 116.3(3.95) G101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> G8 H Shift Assignments>> H :: 8.141 HA2 :: 4.378 HA3 :: 3.861 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.344 Ave N Shift Values>> N :: 109.91(4.29) P102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.414 HA :: 4.832 HB2 :: 2.951 HB3 :: 2.755 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.006 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.846 HA :: 4.394 HB2 :: 3.885 HB3 :: 3.885 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.556 Ave N Shift Values>> N :: 116.3(3.95) A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 I 0.36 A 0.12 C Shift Assignments>> CB :: 16.552 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.333 HA :: 4.415 HB :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.823 Ave N Shift Values>> N :: 123.23(3.7) D106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.284 HB2 :: 2.840 HB3 :: 2.719 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.433 Ave N Shift Values>> N :: 120.73(4.2) S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 L 0.1 Q 0.09 K 0.08 R 0.08 C 0.07 W 0.06 E 0.06 D 0.05 Y 0.05 F 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.008 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.246 HA :: 4.548 HB2 :: 3.988 HB3 :: 3.988 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.066 Ave N Shift Values>> N :: 116.3(3.95) A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 C Shift Assignments>> CA :: 50.419 CB :: 16.583 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.345 HA :: 4.433 HB :: 1.530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.417 Ave N Shift Values>> N :: 123.23(3.7) N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.36 M 0.05 Y 0.02 P 0.02 E 0.02 D 0.01 F 0.01 K 0.01 C Shift Assignments>> CA :: 50.800 CB :: 36.377 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.403 HA :: 4.927 HB2 :: 3.009 HB3 :: 2.886 HD21 :: 7.684 HD22 :: 6.994 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.877 ND2 :: 112.652 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.232 HA :: 4.902 HB2 :: 2.943 HB3 :: 2.943 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.606 Ave N Shift Values>> N :: 120.73(4.2) G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.05 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.231 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.547 HA2 :: 3.784 HA3 :: 3.784 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.239 Ave N Shift Values>> N :: 109.91(4.29) F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 C 0.19 D 0.11 L 0.06 N 0.05 I 0.05 E 0.02 K 0.01 C Shift Assignments>> CA :: 56.776 CB :: 39.364 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.539 HA :: 5.479 HB2 :: 2.917 HB3 :: 2.722 HD1 :: 7.165 HD2 :: 7.165 HE1 :: 7.346 HE2 :: 7.346 HZ :: 7.204 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.214 Ave N Shift Values>> N :: 120.69(4.18) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.43 C 0.29 A 0.24 I 0.01 C Shift Assignments>> CA :: 57.790 CG1 :: 19.500 CG2 :: 19.071 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.411 HA :: 5.009 HB :: 2.351 HG1 :: 1.027 HG2 :: 1.028 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.251 Ave N Shift Values>> N :: 121.02(4.96) R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.21 P 0.21 M 0.06 R 0.05 A 0.01 C Shift Assignments>> CA :: 51.306 CB :: 32.307 CG :: 24.441 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.560 HA :: 5.367 HB2 :: 1.786 HB3 :: 1.786 HG2 :: 1.318 HG3 :: 1.108 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.098 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.18 A 0.07 G 0.06 HN Overlap>> L61 C Shift Assignments>> CA :: 50.282 CB :: 42.049 CG :: 25.946 CD1 :: 23.387 CD2 :: 23.287 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.187 HA :: 5.845 HB2 :: 1.533 HB3 :: 1.427 HG :: 1.807 HD1 :: 1.002 HD2 :: 0.966 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.256 Ave N Shift Values>> N :: 121.98(4.07) R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.22 K 0.12 H 0.12 R 0.1 W 0.07 Q 0.05 E 0.04 C Shift Assignments>> CA :: 53.216 CB :: 32.192 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.893 HA :: 4.968 HB2 :: 2.077 HB3 :: 1.923 HG2 :: 1.793 HG3 :: 1.793 HD2 :: 3.300 HD3 :: 3.300 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.636 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.17 R 0.16 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.091 HA2 :: 4.675 HA3 :: 3.914 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.950 Ave N Shift Values>> N :: 109.91(4.29) L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 L 0.25 V 0.09 C Shift Assignments>> CB :: 38.200 CD1 :: 23.993 CD2 :: 20.680 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.220 HA :: 3.963 HB2 :: 1.367 HB3 :: 1.224 HG :: 1.480 HD1 :: 0.629 HD2 :: 0.679 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.273 Ave N Shift Values>> N :: 121.98(4.07) P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 C 0.05 P 0.03 L 0.01 C Shift Assignments>> CB :: 29.455 CD :: 47.335 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.432 HB2 :: 2.194 HB3 :: 2.052 HG2 :: 1.996 HD2 :: 3.516 HD3 :: 3.337 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.27 M 0.1 Y 0.09 K 0.07 Q 0.03 F 0.03 I 0.03 V 0.01 N 0.01 C Shift Assignments>> CA :: 57.191 CB :: 35.908 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.347 HA :: 4.301 HB2 :: 3.153 HB3 :: 3.122 HD1 :: 7.353 HD2 :: 7.353 HE1 :: 7.460 HE2 :: 7.460 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.699 Ave N Shift Values>> N :: 120.69(4.18) G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.17 K 0.16 D 0.09 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.414 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.298 HA2 :: 3.983 HA3 :: 3.674 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.702 Ave N Shift Values>> N :: 109.91(4.29) C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.34 I 0.07 C 0.06 R 0.04 V 0.02 P 0.01 M 0.01 C Shift Assignments>> CB :: 24.618 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.483 HA :: 4.341 HB2 :: 2.944 HB3 :: 2.665 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.181 Ave N Shift Values>> N :: 119.95(4.79) T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 M 0.27 I 0.12 V 0.1 T 0.04 C 0.01 HN Overlap>> E189 C Shift Assignments>> CG2 :: 19.165 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.273 HA :: 4.809 HG2 :: 1.412 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.226 Ave N Shift Values>> N :: 115.7(5.05) K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.34 L 0.17 K 0.07 E 0.01 R 0.01 C Shift Assignments>> CA :: 58.405 CD :: 27.307 CE :: 39.849 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.980 HA :: 3.903 HB2 :: 1.911 HB3 :: 1.911 HG2 :: 1.760 HG3 :: 1.284 HD2 :: 1.850 HD3 :: 1.850 HE2 :: 3.145 HE3 :: 3.034 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.584 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.14 Q 0.14 K 0.11 E 0.1 V 0.1 P 0.02 I 0.01 W 0.01 Y 0.01 H 0.01 C Shift Assignments>> CG :: 34.556 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.776 HA :: 3.978 HB2 :: 2.178 HB3 :: 1.979 HG2 :: 2.549 HG3 :: 2.333 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.190 Ave N Shift Values>> N :: 120.68(3.68) E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 R 0.18 P 0.15 L 0.11 Q 0.08 K 0.07 C 0.06 H 0.05 W 0.04 E 0.03 HN Overlap>> W95 C Shift Assignments>> CB :: 27.517 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.765 HA :: 4.033 HB2 :: 2.457 HB3 :: 1.960 HG2 :: 2.335 HG3 :: 2.335 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.054 Ave N Shift Values>> N :: 120.68(3.68) I127 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>> CA :: 62.669 CG1 :: 26.501 CG2 :: 15.615 CD1 :: 11.146 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.465 HA :: 3.569 HB :: 2.235 HG2 :: 1.013 HG12 :: 1.655 HG13 :: 0.686 HD1 :: 0.686 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.962 Ave N Shift Values>> N :: 121.6(4.72) V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.04 I 0.03 C Shift Assignments>> CA :: 64.676 CG1 :: 20.484 CG2 :: 18.258 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.171 HA :: 3.659 HB :: 2.280 HG1 :: 1.114 HG2 :: 1.031 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.842 Ave N Shift Values>> N :: 121.02(4.96) Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.16 C 0.15 M 0.14 W 0.12 E 0.11 K 0.1 C Shift Assignments>> CA :: 55.502 CG :: 31.035 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.759 HA :: 4.131 HB2 :: 2.210 HB3 :: 2.210 HG2 :: 2.566 HG3 :: 2.566 HE21 :: 7.524 HE22 :: 6.870 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.048 NE2 :: 111.715 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 Y 0.16 I 0.09 F 0.08 M 0.04 K 0.03 V 0.01 C Shift Assignments>> CA :: 58.296 CB :: 36.662 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.095 HA :: 4.241 HB2 :: 3.062 HB3 :: 3.062 HD1 :: 6.223 HD2 :: 6.223 HE1 :: 6.656 HE2 :: 6.656 HZ :: 6.987 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.120 Ave N Shift Values>> N :: 120.69(4.18) F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.29 I 0.07 M 0.06 Y 0.05 N 0.04 K 0.03 V 0.03 F 0.01 Q 0.01 C Shift Assignments>> CB :: 35.916 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.497 HA :: 4.931 HB2 :: 4.049 HB3 :: 2.979 HD1 :: 7.444 HD2 :: 7.444 HE1 :: 7.527 HE2 :: 7.527 HZ :: 7.371 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.986 Ave N Shift Values>> N :: 120.69(4.18) S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.158 CB :: 60.687 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.154 HA :: 4.228 HB2 :: 4.177 HB3 :: 3.945 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.812 Ave N Shift Values>> N :: 116.3(3.95) G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.18 K 0.16 D 0.09 C 0.07 F 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.906 HA2 :: 4.366 HA3 :: 3.758 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.131 Ave N Shift Values>> N :: 109.91(4.29) L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 I 0.02 HN Overlap>> S88 C Shift Assignments>> CB :: 40.788 CD1 :: 22.976 CD2 :: 21.500 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.335 HA :: 4.712 HB2 :: 2.340 HB3 :: 1.225 HG :: 1.595 HD1 :: 0.739 HD2 :: 0.785 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.783 Ave N Shift Values>> N :: 121.98(4.07) E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 Q 0.19 C 0.18 K 0.18 R 0.05 H 0.05 W 0.05 E 0.03 V 0.01 HN Overlap>> E92 C Shift Assignments>> CA :: 55.812 CG :: 33.434 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.562 HA :: 4.198 HB2 :: 2.029 HB3 :: 2.029 HG2 :: 2.289 HG3 :: 2.034 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.374 Ave N Shift Values>> N :: 120.68(3.68) I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.13 C Shift Assignments>> CA :: 58.260 CB :: 37.316 CG1 :: 26.049 CG2 :: 13.463 CD1 :: 12.401 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.327 HA :: 4.008 HB :: 1.545 HG2 :: 0.833 HG12 :: 1.831 HG13 :: -0.014 HD1 :: 0.879 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.667 Ave N Shift Values>> N :: 121.6(4.72) V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.15 A 0.07 C Shift Assignments>> CA :: 58.669 CG1 :: 18.206 CG2 :: 16.376 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.794 HA :: 4.333 HB :: 2.155 HG1 :: 0.824 HG2 :: 0.674 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.985 Ave N Shift Values>> N :: 121.02(4.96) P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.42 C 0.36 P 0.2 C Shift Assignments>> CA :: 61.460 CD :: 47.867 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.333 HB2 :: 2.324 HB3 :: 1.828 HG2 :: 2.165 HG3 :: 2.033 HD2 :: 3.946 HD3 :: 3.607 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.18 N 0.1 Q 0.08 K 0.07 P 0.04 E 0.04 H 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 51.978 CB :: 34.879 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.019 HA :: 4.575 HB2 :: 3.125 HB3 :: 2.893 HD21 :: 7.617 HD22 :: 6.954 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.073 ND2 :: 113.571 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.086 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.129 HA2 :: 4.160 HA3 :: 3.639 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.678 Ave N Shift Values>> N :: 109.91(4.29) I141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> I46 K171 C Shift Assignments>> CB :: 37.311 CG2 :: 15.543 CD1 :: 12.424 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.801 HA :: 4.996 HB :: 1.778 HG2 :: 0.883 HG12 :: 1.727 HG13 :: 1.727 HD1 :: 0.994 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.927 Ave N Shift Values>> N :: 121.6(4.72) T142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 S 0.07 C Shift Assignments>> CA :: 59.858 CB :: 67.843 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.447 HA :: 4.564 HB :: 4.249 HG2 :: 1.273 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.915 Ave N Shift Values>> N :: 115.7(5.05) L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.25 C 0.23 L 0.05 G 0.05 F 0.02 Y 0.02 C Shift Assignments>> CA :: 49.124 CB :: 40.466 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.954 HA :: 5.176 HB2 :: 1.805 HB3 :: 1.499 HG :: 1.562 HD1 :: 0.864 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.154 Ave N Shift Values>> N :: 121.98(4.07) P144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.04 G 0.04 C Shift Assignments>> CA :: 60.539 CB :: 30.153 CG :: 24.902 CD :: 48.439 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.535 HB2 :: 2.396 HB3 :: 2.396 HG2 :: 2.052 HG3 :: 1.865 HD2 :: 4.099 HD3 :: 3.765 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 A 0.14 I 0.02 C Shift Assignments>> CA :: 57.040 CB :: 32.531 CG1 :: 18.842 CG2 :: 16.416 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.134 HA :: 4.957 HB :: 1.989 HG1 :: 0.949 HG2 :: 1.017 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.071 Ave N Shift Values>> N :: 121.02(4.96) D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.23 D 0.09 Y 0.02 F 0.02 C Shift Assignments>> CA :: 49.823 CB :: 38.240 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.930 HA :: 4.881 HB2 :: 3.333 HB3 :: 2.704 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.288 Ave N Shift Values>> N :: 120.73(4.2) P147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 P 0.47 G 0.02 C Shift Assignments>> CA :: 62.898 CB :: 29.525 CG :: 25.549 CD :: 48.891 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.441 HB2 :: 2.526 HB3 :: 1.992 HG2 :: 2.200 HG3 :: 2.200 HD2 :: 3.994 HD3 :: 3.808 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.204 HA :: 4.458 HB3 :: 2.163 HG2 :: 2.324 HG3 :: 2.324 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.470 Ave N Shift Values>> N :: 120.68(3.68) G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.07 D 0.06 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.072 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.516 HA2 :: 4.248 HA3 :: 3.684 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.019 Ave N Shift Values>> N :: 109.91(4.29) K150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 M 0.24 K 0.11 L 0.02 R 0.02 C Shift Assignments>> CB :: 30.261 CG :: 22.469 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.330 HA :: 4.536 HB2 :: 2.012 HB3 :: 1.857 HG2 :: 1.476 HG3 :: 1.476 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.049 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> CA :: 59.474 CG1 :: 23.947 CG2 :: 15.444 CD1 :: 11.598 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.198 HA :: 4.603 HB :: 2.443 HG2 :: 1.072 HG12 :: 1.549 HG13 :: 1.380 HD1 :: 0.897 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.300 Ave N Shift Values>> N :: 121.6(4.72) T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.19 S 0.18 C Shift Assignments>> CA :: 60.039 CB :: 67.276 CG2 :: 19.531 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.202 HA :: 4.490 HB :: 4.519 HG2 :: 1.297 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.965 Ave N Shift Values>> N :: 115.7(5.05) G153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.385 HA2 :: 4.546 HA3 :: 3.689 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.994 Ave N Shift Values>> N :: 109.91(4.29) E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.16 M 0.12 Q 0.09 K 0.09 V 0.08 I 0.02 Y 0.02 P 0.01 N 0.01 W 0.01 HN Overlap>> D66 M93 H172 C Shift Assignments>> CG :: 34.919 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.520 HA :: 5.375 HB2 :: 1.959 HB3 :: 1.801 HG2 :: 2.310 HG3 :: 2.203 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.288 Ave N Shift Values>> N :: 120.68(3.68) A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 G 0.36 C 0.08 M 0.03 L 0.02 C Shift Assignments>> CA :: 48.516 CB :: 21.335 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.116 HA :: 5.001 HB :: 1.303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.012 Ave N Shift Values>> N :: 123.23(3.7) F156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.12 A 0.1 L 0.09 M 0.07 H 0.07 C 0.06 Q 0.05 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 HN Overlap>> F58 C Shift Assignments>> CA :: 54.278 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.920 HA :: 5.684 HB2 :: 3.155 HB3 :: 2.958 HD1 :: 7.098 HD2 :: 7.098 HE1 :: 7.134 HE2 :: 7.134 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.425 Ave N Shift Values>> N :: 120.69(4.18) V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CB :: 32.365 CG1 :: 19.558 CG2 :: 19.994 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.186 HA :: 4.802 HB :: 1.648 HG1 :: 0.892 HG2 :: 0.057 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.967 Ave N Shift Values>> N :: 121.02(4.96) Q158 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.61 C 0.19 R 0.12 K 0.05 C Shift Assignments>> CA :: 51.162 CB :: 26.273 CG :: 30.104 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.435 HA :: 4.146 HB2 :: 1.774 HB3 :: 0.995(S) HG2 :: 1.835 HG3 :: 1.062(S) HE21 :: 7.452 HE22 :: 6.667 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.521 NE2 :: 109.777 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> M78 H Shift Assignments>> H :: 8.615 HA :: 4.783 HB2 :: 3.230 HB3 :: 2.899 HD1 :: 7.044 HD2 :: 7.044 HE1 :: 6.638 HE2 :: 6.638 HZ :: 7.443 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.941 Ave N Shift Values>> N :: 120.69(4.18) A160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.34 C 0.01 C Shift Assignments>> CA :: 51.348 CB :: 16.056 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.324 HA :: 3.942 HB :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.369 Ave N Shift Values>> N :: 123.23(3.7) S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 P 0.2 V 0.19 T 0.15 I 0.12 C 0.01 F 0.01 C Shift Assignments>> CB :: 64.156 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.333 HA :: 4.829 HB2 :: 4.364 HB3 :: 4.043 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 107.836 Ave N Shift Values>> N :: 116.3(3.95) Q162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 C 0.14 M 0.14 W 0.13 E 0.12 K 0.11 V 0.01 Q 0.01 HN Overlap>> F86 C Shift Assignments>> CA :: 55.926 CG :: 31.124 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.130 HA :: 4.120 HB2 :: 2.235 HB3 :: 2.130 HG2 :: 2.553 HG3 :: 2.553 HE21 :: 7.750 HE22 :: 6.963 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.228 NE2 :: 111.671 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.2 Q 0.18 E 0.08 R 0.05 I 0.04 M 0.01 C Shift Assignments>> CA :: 57.301 CB :: 26.454 CG :: 34.648 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.664 HA :: 4.072 HB2 :: 2.143 HB3 :: 1.974 HG2 :: 2.331 HG3 :: 2.331 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.122 Ave N Shift Values>> N :: 120.68(3.68) L164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 I 0.17 K 0.02 M 0.01 C Shift Assignments>> CB :: 39.980 CD2 :: 21.431 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.655 HA :: 3.917 HB2 :: 2.020 HB3 :: 1.243 HG :: 1.774 HD1 :: 1.308 HD2 :: 1.059 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.914 Ave N Shift Values>> N :: 121.98(4.07) A165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 C 0.01 C Shift Assignments>> CA :: 52.059 CB :: 15.268 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.312 HA :: 3.427 HB :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.867 Ave N Shift Values>> N :: 123.23(3.7) E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 H 0.09 K 0.09 R 0.09 M 0.08 C 0.08 E 0.07 W 0.07 L 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 N 0.01 C Shift Assignments>> CA :: 56.593 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.029 HA :: 3.982 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.765 Ave N Shift Values>> N :: 120.68(3.68) K167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 L 0.1 A 0.02 R 0.02 K 0.02 C Shift Assignments>> CA :: 56.578 CB :: 29.632 CG :: 22.929 CD :: 26.463 CE :: 39.477 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.640 HA :: 4.041 HB2 :: 1.982 HB3 :: 1.833 HG2 :: 1.675 HG3 :: 1.483 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.428 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C 0.01 C Shift Assignments>> CA :: 52.322 CB :: 16.875 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.004 HA :: 3.751 HB :: 0.881 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.288 Ave N Shift Values>> N :: 123.23(3.7) L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CB :: 38.187 CG :: 23.778 CD1 :: 23.189 CD2 :: 20.411 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.386 HA :: 3.982 HB2 :: 1.956 HB3 :: 1.651 HG :: 2.094 HD1 :: 1.048 HD2 :: 0.858 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.751 Ave N Shift Values>> N :: 121.98(4.07) G170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.184 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.875 HA2 :: 4.278 HA3 :: 3.943 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.450 Ave N Shift Values>> N :: 109.91(4.29) K171 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 A 0.37 L 0.24 HN Overlap>> I46 I141 C Shift Assignments>> CA :: 52.465 CG :: 21.881 CD :: 25.240 CE :: 39.282 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.891 HA :: 4.331 HB2 :: 1.879 HB3 :: 1.879 HG2 :: 1.373 HG3 :: 1.373 HD2 :: 1.379 HD3 :: 1.379 HE2 :: 2.726 HE3 :: 2.607 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.909 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> D66 M93 E154 H Shift Assignments>> H :: 7.466 HA :: 4.595 HB2 :: 3.235 HB3 :: 3.235 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.209 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E174 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HA :: 4.655 HB2 :: 2.315 HB3 :: 2.315 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.200 Ave N Shift Values>> N :: 120.68(3.68) R175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.07 C Shift Assignments>> CA :: 53.309 CB :: 31.619 CG :: 24.857 CD :: 41.044 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.221 HA :: 5.244 HB2 :: 1.539 HB3 :: 1.437 HG2 :: 1.317 HG3 :: 0.859 HD2 :: 2.817 HD3 :: 2.759 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.515 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.16 HN Overlap>> I181 C Shift Assignments>> CA :: 59.966 CB :: 37.503 CG1 :: 25.453 CG2 :: 14.394 CD1 :: 9.822 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.969 HA :: 4.012 HB :: 1.220 HG2 :: 0.767 HG12 :: 1.145 HG13 :: 0.759 HD1 :: 0.136 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.613 Ave N Shift Values>> N :: 121.6(4.72) G177 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.871 HA2 :: 3.917 HA3 :: 3.650 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.859 Ave N Shift Values>> N :: 109.91(4.29) H178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.2 R 0.18 I 0.17 L 0.15 Q 0.06 C 0.06 K 0.04 H 0.03 W 0.03 E 0.02 HN Overlap>> R179 S186 C Shift Assignments>> CB :: 27.130 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.925 HA :: 4.549 HB2 :: 3.316 HB3 :: 3.217 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.723 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.22 D 0.11 P 0.1 C 0.05 L 0.04 M 0.03 H 0.03 R 0.01 Q 0.01 W 0.01 K 0.01 Y 0.01 F 0.01 HN Overlap>> H178 C Shift Assignments>> CA :: 51.692 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.921 HA :: 4.509 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 1.509 HG3 :: 1.509 HD2 :: 3.210 HD3 :: 3.210 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.797 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.28 I 0.08 Y 0.06 N 0.05 M 0.05 K 0.02 V 0.02 F 0.02 Q 0.01 C Shift Assignments>> CB :: 36.122 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.343 HA :: 4.421 HB2 :: 2.897 HB3 :: 2.707 HD1 :: 7.240 HD2 :: 7.240 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.089 Ave N Shift Values>> N :: 120.79(4.69) I181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> I176 C Shift Assignments>> CB :: 34.515 CG1 :: 24.034 CG2 :: 15.152 CD1 :: 8.173 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.970 HA :: 4.466 HB :: 1.971 HG2 :: 0.557 HG12 :: 1.485 HG13 :: 0.499 HD1 :: 0.354 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.617 Ave N Shift Values>> N :: 121.6(4.72) E182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.16 M 0.12 Q 0.09 K 0.09 V 0.08 I 0.02 Y 0.02 P 0.01 N 0.01 W 0.01 C Shift Assignments>> CG :: 34.934 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.472 HA :: 4.844 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.417 HG3 :: 2.065 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.250 Ave N Shift Values>> N :: 120.68(3.68) V183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 I 0.05 Q 0.04 H 0.04 V 0.03 T 0.03 M 0.03 L 0.02 HN Overlap>> S23 F184 C Shift Assignments>> CA :: 58.936 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.307 HA :: 4.868 HG1 :: 1.048 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.371 Ave N Shift Values>> N :: 121.02(4.96) F184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.26 L 0.12 C 0.11 F 0.05 Y 0.05 K 0.03 HN Overlap>> S23 V183 C Shift Assignments>> CA :: 52.682 CB :: 40.527 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.304 HA :: 5.061 HB2 :: 3.402 HB3 :: 2.795 HD1 :: 7.183 HD2 :: 7.183 HE1 :: 7.265 HE2 :: 7.265 HZ :: 7.364 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.365 Ave N Shift Values>> N :: 120.69(4.18) K185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 A 0.08 L 0.07 R 0.04 K 0.02 M 0.01 HN Overlap>> K87 C Shift Assignments>> CA :: 55.590 CB :: 29.885 CG :: 22.436 CD :: 26.466 CE :: 39.731 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.172 HA :: 4.353 HB2 :: 2.112 HB3 :: 1.985 HG2 :: 1.857 HG3 :: 1.857 HD2 :: 1.957 HD3 :: 1.861 HE2 :: 3.222 HE3 :: 3.222 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.366 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.2 I 0.17 P 0.16 S 0.11 C 0.03 F 0.02 Y 0.01 W 0.01 HN Overlap>> H178 C Shift Assignments>> CB :: 62.627 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.029 HA :: 4.895 HB2 :: 3.995 HB3 :: 3.371 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.733 Ave N Shift Values>> N :: 116.3(3.95) S187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 54.754 CB :: 63.342 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.230 HA :: 5.155 HB2 :: 4.186 HB3 :: 4.086 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.456 Ave N Shift Values>> N :: 116.3(3.95) Q188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 M 0.15 H 0.15 C 0.14 W 0.12 E 0.11 K 0.11 Q 0.01 V 0.01 C Shift Assignments>> CA :: 55.763 CG :: 31.197 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.342 HA :: 2.954 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.285 HG3 :: 2.213 HE21 :: 7.463 HE22 :: 6.920 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.195 NE2 :: 111.555 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 C 0.2 M 0.19 K 0.17 E 0.07 W 0.04 H 0.03 R 0.03 V 0.02 Y 0.01 HN Overlap>> T123 C Shift Assignments>> CA :: 56.242 CG :: 33.938 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.352 HA :: 3.937 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.278 HG3 :: 2.278 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.162 Ave N Shift Values>> N :: 120.68(3.68) E190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 L 0.09 Q 0.09 K 0.08 R 0.08 C 0.07 E 0.06 W 0.06 Y 0.05 D 0.05 F 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.072 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.529 HA :: 3.967 HB2 :: 2.113 HB3 :: 2.113 HG2 :: 2.424 HG3 :: 2.424 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.128 Ave N Shift Values>> N :: 120.68(3.68) V191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.28 V 0.05 C Shift Assignments>> CA :: 61.690 CB :: 28.546 CG1 :: 18.848 CG2 :: 18.046 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.956 HA :: 2.434 HB :: 1.524 HG1 :: 0.377 HG2 :: 0.571 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.731 Ave N Shift Values>> N :: 121.02(4.96) R192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.31 C 0.26 R 0.01 C Shift Assignments>> CA :: 53.859 CB :: 28.158 CG :: 24.416 CD :: 40.546 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.180 HA :: 4.253 HB2 :: 1.828 HB3 :: 1.740 HG2 :: 1.613 HG3 :: 1.613 HD2 :: 3.142 HD3 :: 3.142 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.578 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.19 V 0.18 F 0.06 C 0.06 P 0.06 Y 0.05 W 0.04 S 0.03 E 0.01 R 0.01 K 0.01 HN Overlap>> E50 C Shift Assignments>> CB :: 61.367 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.779 HA :: 4.450 HB2 :: 3.928 HB3 :: 3.928 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.495 Ave N Shift Values>> N :: 116.3(3.95) Y194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 Y 0.17 F 0.09 I 0.07 M 0.04 K 0.02 N 0.01 C Shift Assignments>> CA :: 57.643 CB :: 36.895 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.407 HA :: 4.362 HB2 :: 3.070 HB3 :: 3.025 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 6.850 HE2 :: 6.850 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.197 Ave N Shift Values>> N :: 120.79(4.69) ########################################################################### Overall Results: #Consistent: 188 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 4 #Indeterminable: 0 Typing Results: #Consistent: 168 #Suspicious: 0 #Mistyped: 4 #Indeterminable: 22 Shift Relative Order (SRO) Results: #Consistent: 194 #Suspicious: 0 C Shift Results: #Consistent: 441 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1050 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 190 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L31 Typing: Mistyped Q53 Typing: Mistyped Q53 CG = 29.562(S), Expected = 33.72, Std = 1.1000, ChiSquare = 1.5683e-04 E56 HA = 5.680(S), Expected = 4.26, Std = 0.4300, ChiSquare = 9.5887e-04 R75 CB = 24.566(S), Expected = 30.66, Std = 1.7700, ChiSquare = 5.7543e-04 Q158 Typing: Mistyped Q158 HB3 = 0.995(S), Expected = 2.04, Std = 0.2900, ChiSquare = 3.1402e-04 Q158 HG3 = 1.062(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.4383e-05 K171 Typing: Mistyped